CCN(CC)C(=O)Oc1nnc(SC(C)C)n1-c1ccc(Cl)c(Cl)c1	ZINC000001047335	HJ	Annotated	Anodyne	 
O=C(CC[C@H]1COc2ccccc2O1)Nc1ccc(NC(=O)c2ccccc2F)cc1	ZINC000001060909	HJ	Annotated	Anodyne	 
O=C(CC[C@@H]1COc2ccccc2O1)Nc1ccc(NC(=O)c2ccccc2F)cc1	ZINC000001060910	HJ	Annotated	Anodyne	 
Cc1cc(/C=N\n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000001101516	HJ	Annotated	Mild	 
CCOc1ccc(C2=C3C(=NCCN2)C(=O)N(c2ccccc2)[C@@H]3c2ccccc2)cc1	ZINC000001104749	HJ	Annotated	Anodyne	
CCOc1ccc(C2=C3C(=NCCN2)C(=O)N(c2ccccc2)[C@H]3c2ccccc2)cc1	ZINC000001104750	HJ	Annotated	Anodyne	
Cc1ccc(-c2csc(NC(=S)NC(=O)c3cccc(Cl)c3Cl)n2)cc1	ZINC000001117771	HJ	Annotated	Anodyne	 
Cc1cccc(-c2nc3c(c(SCC(=O)c4ccc(O)c(O)c4)n2)CCCC3)c1	ZINC000001130320	HJ	Annotated	Clean	 
CCOc1ccc2c(c1)nc(SCC(=O)c1ccc(Br)s1)n2C	ZINC000001199453	HJ	Annotated	Anodyne	 
O=C(NC1CCCCC1)[C@H](c1ccncc1)N(C(=O)c1ccco1)c1ccc(F)cc1	ZINC000001341716	HJ	Annotated	Anodyne	 
O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)c1ccco1)c1ccc(F)cc1	ZINC000001341717	HJ	Annotated	Anodyne	 
Cc1sc2nc(CN(Cc3ccccc3)C(=O)NC3CCCCC3)[nH]c(=O)c2c1C	ZINC000001358986	HJ	Annotated	Anodyne	 
CCC(=O)N(Cc1ccco1)c1nc(C(=O)Nc2ccc(Cl)cc2)c(C)s1	ZINC000001361574	HJ	Annotated	Anodyne	 
Cc1sc(NC(=O)c2ccco2)nc1-c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1	ZINC000001366380	HJ	Annotated	Anodyne	
Cc1sc(NC(=O)c2ccco2)nc1-c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1	ZINC000001366381	HJ	Annotated	Anodyne	
Cc1ccc2c(SCC(=O)NCc3ccco3)nc(-c3ccc(F)cc3)nc2c1	ZINC000001367719	HJ	Annotated	Anodyne	
O=C1C2=NCCNC(c3ccc(Cl)cc3)=C2[C@H](c2ccccc2)N1c1ccccc1	ZINC000001437107	HJ	Annotated	Anodyne	
O=C1C2=NCCNC(c3ccc(Cl)cc3)=C2[C@@H](c2ccccc2)N1c1ccccc1	ZINC000001437108	HJ	Annotated	Anodyne	
CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cccs1	ZINC000001461132	HJ	Annotated	Mild	
COc1ccc(-c2cc3c(N)ncnc3nc2-c2cccs2)cc1Br	ZINC000001488948	HJ	Annotated	Anodyne	
Clc1ncnc2c1C(c1ccc(Br)cc1)c1c(Cl)ncnc1O2	ZINC000010014024	HJ	Annotated	Anodyne	 
Clc1ccc2c(c1)[C@@]1(CN3CCC(Nc4ncccn4)CC3)C[C@H]2c2ccccc21	ZINC000100021787	HJ	Annotated	Anodyne	
Clc1ccc2c(c1)[C@]1(CN3CCC(Nc4ncccn4)CC3)C[C@@H]2c2ccccc21	ZINC000100021790	HJ	Annotated	Anodyne	
CCC/C(C)=C/C=C(\C)C(=O)[C@@H]1C(=O)C=C([C@H](C)CCC/C=N/C(=O)OC)OC1=O	ZINC000100036554	HJ	Annotated	Mild	in-vivo
CCCN(CCC)C(=O)CC1=C(c2ccc(Cl)cc2)N[C@H]2C=CC(Cl)=CN12	ZINC000100046034	HJ	Annotated	Anodyne	
CCCN(CCC)C(=O)CC1=C(c2ccc(Cl)cc2)N[C@@H]2C=CC(Cl)=CN12	ZINC000100046037	HJ	Annotated	Anodyne	
CN(C)c1cccc(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)c1	ZINC000100068190	HJ	Annotated	Anodyne	
O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)C[C@@H](Cc2ccccc2)NC1=O	ZINC000100075872	HJ	Annotated	Anodyne	
O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)C[C@H](Cc2ccccc2)NC1=O	ZINC000100075875	HJ	Annotated	Anodyne	
CC(C)=CC(=O)O[C@@H]1/C=C/[C@@](C)(C/C=C/C(C)(C)O)C/C=C(/C=O)CC[C@@H]2O[C@]21C	ZINC000100077337	HJ	Annotated	Reactive	in-vitro biogenic
O=C(O)[C@H]1[C@@H]2C=C[C@H](C2=C(c2ccccc2)c2ccccc2)[C@H]1C(=O)Nc1ccccn1	ZINC000100083055	HJ	Annotated	Anodyne	 
C/C=C(\C)C(=O)[C@@H]1C(=O)O[C@]2(C)C(=O)C(Cl)=C3C=C(/C=C/[C@@H](C)CC)OC=C3[C@H]12	ZINC000100091191	HJ	Annotated	Mild	in-vitro
COc1ccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccc(C)cc3)cc2)cc1	ZINC000100092172	HJ	Annotated	Anodyne	
FC(F)(F)c1cccc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccncc3)cc2)c1	ZINC000100092442	HJ	Annotated	Anodyne	
COc1ccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3C)cc2)cc1	ZINC000100092608	HJ	Annotated	Anodyne	
O=C(Nc1cccc(F)c1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccc(F)c2)cc1	ZINC000100092736	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2ccc(F)cc2)cc1	ZINC000100092810	HJ	Annotated	Anodyne	
O=C(Nc1cccc(Cl)c1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1	ZINC000100093133	HJ	Annotated	Anodyne	
Cc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccc(F)cc3)cc2)c1	ZINC000100093161	HJ	Annotated	Anodyne	
O=C(Nc1cccc(F)c1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccc(F)c2)cc1	ZINC000100093166	HJ	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(/C=C/c2ccccc2)cc1	ZINC000100093459	HJ	Annotated	Anodyne	
COc1ccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccc(C)cc3)cc2)cc1	ZINC000100093512	HJ	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(/C=C/c2ccccc2)cc1	ZINC000100093640	HJ	Annotated	Anodyne	
O=C(Nc1cccc(Cl)c1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1	ZINC000100094142	HJ	Annotated	Anodyne	
COc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cc(F)ccc3F)cc2)c1	ZINC000100094335	HJ	Annotated	Anodyne	
Cc1ccc(-c2[nH]n(-c3ccccc3)c3nc(=O)c(CNCc4ccccc4)cc2-3)cc1	ZINC000100096932	HJ	Annotated	Anodyne	 
O=C(Nc1ccccc1F)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccc(F)c2)cc1	ZINC000100101311	HJ	Annotated	Anodyne	
O=C(Nc1ccccc1F)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccc(F)c2)cc1	ZINC000100101340	HJ	Annotated	Anodyne	
Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Nc5ccc(F)cc5)C[C@@H]3N4)cc2)c1	ZINC000100101461	HJ	Annotated	Anodyne	
Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Nc5ccc(F)cc5)C[C@@H]3N4)cc2)c1	ZINC000100101463	HJ	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2F)cc1	ZINC000100101474	HJ	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2F)cc1	ZINC000100101477	HJ	Annotated	Anodyne	
COc1cc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccccc3C)cc2)cc(OC)c1	ZINC000100101715	HJ	Annotated	Anodyne	
COc1cc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccccc3C)cc2)cc(OC)c1	ZINC000100101740	HJ	Annotated	Anodyne	
COc1cc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3C)cc2)cc(OC)c1	ZINC000100101745	HJ	Annotated	Anodyne	
COc1cc(CN2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccccc3C)cc2)cc(OC)c1	ZINC000100101747	HJ	Annotated	Anodyne	
O=C(Nc1cc(F)ccc1F)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccc(F)cc2)cc1	ZINC000100101775	HJ	Annotated	Anodyne	
O=C(Nc1cc(F)ccc1F)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccc(F)cc2)cc1	ZINC000100101796	HJ	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccc(F)cc2)cc1	ZINC000100101820	HJ	Annotated	Anodyne	
Cc1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccc(F)cc3)cc2)cc1	ZINC000100105924	HJ	Annotated	Anodyne	
Cc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccc(F)cc3)cc2)cc1	ZINC000100105928	HJ	Annotated	Anodyne	
O=C(Nc1cccc(F)c1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccc(F)cc2)cc1	ZINC000100106201	HJ	Annotated	Anodyne	
O=C(Nc1cccc(F)c1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccc(F)cc2)cc1	ZINC000100106307	HJ	Annotated	Anodyne	
COc1ccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccccc3C)cc2)cc1	ZINC000100106630	HJ	Annotated	Anodyne	
O=C(Nc1cccc(F)c1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2F)cc1	ZINC000100106781	HJ	Annotated	Anodyne	
O=C(Nc1cccc(F)c1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2F)cc1	ZINC000100106785	HJ	Annotated	Anodyne	
COc1cc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3cccc(C)c3)cc2)cc(OC)c1	ZINC000100106830	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2ccc(F)cc2)cc1	ZINC000100106952	HJ	Annotated	Anodyne	
C(=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2ccc3c(c2)OCO3)cc1)\c1ccccc1	ZINC000100107275	HJ	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1	ZINC000100107853	HJ	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1	ZINC000100107856	HJ	Annotated	Anodyne	
Cc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccc(F)cc3)cc2)c1	ZINC000100107934	HJ	Annotated	Anodyne	
COc1ccccc1NC(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2C)cc1	ZINC000100108023	HJ	Annotated	Anodyne	
C(=C/c1ccc([C@@H]2[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]2N3)cc1)\c1ccccc1	ZINC000100108318	HJ	Annotated	Anodyne	
C(=C/c1ccc([C@H]2[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]2N3)cc1)\c1ccccc1	ZINC000100108323	HJ	Annotated	Anodyne	
FC(F)(F)c1ccccc1CN1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccncc2)cc1	ZINC000100108464	HJ	Annotated	Anodyne	
COc1cc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccc(C)cc3)cc2)cc(OC)c1	ZINC000100108514	HJ	Annotated	Anodyne	
c1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cc(-c4ccccc4)on3)cc2)cc1	ZINC000100108667	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccc(F)cc4)C[C@@H]2N3)cc1	ZINC000100108869	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccc(F)cc4)C[C@@H]2N3)cc1	ZINC000100108872	HJ	Annotated	Anodyne	
FC(F)(F)c1cccc(CN2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3cccnc3)cc2)c1	ZINC000100108876	HJ	Annotated	Anodyne	
COc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cc(F)ccc3F)cc2)cc1	ZINC000100109480	HJ	Annotated	Anodyne	
c1cc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccncc3)cc2)cc(-c2ccncc2)c1	ZINC000100114015	HJ	Annotated	Anodyne	
COc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3cc(F)ccc3F)cc2)c1	ZINC000100114206	HJ	Annotated	Anodyne	
C/C1=C/C[C@]2(C)C(=O)C(=O)[C@@H]([C@H](C)CO)[C@H]2C/C=C(/C)[C@@H](O)CC/C(C)=C\CC1	ZINC000100267705	HJ	Annotated	Clean	
C/C1=C/C[C@]2(C)C(=O)C(=O)[C@H]([C@H](C)CO)[C@H]2C/C=C(/C)[C@@H](O)CC/C(C)=C\CC1	ZINC000100267709	HJ	Annotated	Clean	
CCOc1cccc(NCc2cc3c(C(C)(C)C)[nH]n(-c4ccccc4)c-3nc2=O)c1	ZINC000100452824	HJ	Annotated	Anodyne	 
COc1cccc(NCc2cc3c(C(C)(C)C)[nH]n(-c4ccccc4)c-3nc2=O)c1	ZINC000100452829	HJ	Annotated	Anodyne	 
CC(=O)Nc1ccc(N/C=C2\C(=O)C(C(=O)Nc3ccccc3)=Cc3ccccc32)cc1	ZINC000100481110	HJ	Annotated	Mild	 
Cc1ccc(N/N=C2/C=CC(=O)C(P(=O)(c3ccccc3)c3ccccc3)=C2)cc1	ZINC000100492630	HJ	Annotated	Reactive	 
Cc1c(-c2ccccc2)n(-c2ccccc2)c(O)c([S@@](=O)c2ccccc2)c1=O	ZINC000100507547	HJ	Annotated	Anodyne	
Cc1c(-c2ccccc2)n(-c2ccccc2)c(O)c([S@](=O)c2ccccc2)c1=O	ZINC000100507552	HJ	Annotated	Anodyne	
Cc1ccc(CNCc2cc3c(C(C)(C)C)[nH]n(-c4ccccc4)c-3nc2=O)cc1	ZINC000100511968	HJ	Annotated	Anodyne	 
Cc1c(Cc2ccccc2)sc(N/C=C2\C(=O)C=Cc3ccccc32)c1C(N)=O	ZINC000100519246	HJ	Annotated	Mild	 
O=C1C=CC([N+](=O)[O-])=C/C1=C\Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1	ZINC000100521270	HJ	Annotated	Mild	 
O=C1C(Br)=CC(Br)=C/C1=C\Nc1cccc2ncccc12	ZINC000100552602	HJ	Annotated	Mild	 
C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](n1cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn1)C2	ZINC000100597432	HJ	Annotated	Bother	
CN1[C@H]2CC[C@@H]1C[C@@H](n1cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn1)C2	ZINC000100597514	HJ	Annotated	Anodyne	
OC1=C2C(=Nc3nc(-c4ccco4)nn3[C@@H]2c2cccc(Br)c2)CCC1	ZINC000100616437	HJ	Annotated	Anodyne	 
OC1=C2C(=Nc3nc(-c4ccco4)nn3[C@H]2c2cccc(Br)c2)CCC1	ZINC000100616439	HJ	Annotated	Anodyne	 
O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3cc(C4CCOCC4)ccc3C[C@@H]21	ZINC000100621292	HJ	Annotated	Anodyne	
CC(C)Cc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@@H]2N3)c1	ZINC000100632415	HJ	Annotated	Anodyne	
CC(C)Cc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@H]2N3)c1	ZINC000100632418	HJ	Annotated	Anodyne	
Cn1c2c(c3cc(S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc31)[C@@H]1CC[C@@H](C2)N1	ZINC000100632463	HJ	Annotated	Anodyne	
Cn1c2c(c3cc(S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc31)[C@H]1CC[C@H](C2)N1	ZINC000100632464	HJ	Annotated	Anodyne	
Cn1c2c(c3cc(S(=O)(=O)c4ccc5sccc5c4)ccc31)[C@@H]1CC[C@@H](C2)N1	ZINC000100632863	HJ	Annotated	Anodyne	
Cn1c2c(c3cc(S(=O)(=O)c4ccc5sccc5c4)ccc31)[C@H]1CC[C@H](C2)N1	ZINC000100632865	HJ	Annotated	Anodyne	
Cc1cc(S(=O)(=O)c2csc3ccccc23)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1	ZINC000100633076	HJ	Annotated	Anodyne	
Cc1cc(S(=O)(=O)c2csc3ccccc23)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1	ZINC000100633079	HJ	Annotated	Anodyne	
Cn1c2c(c3cc(S(=O)(=O)c4csc5ccccc45)ccc31)[C@@H]1CC[C@@H](C2)N1	ZINC000100633236	HJ	Annotated	Anodyne	
Cn1c2c(c3cc(S(=O)(=O)c4csc5ccccc45)ccc31)[C@H]1CC[C@H](C2)N1	ZINC000100633238	HJ	Annotated	Anodyne	
CCN1[C@@H]2CC[C@@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccc5[nH]ccc5c4)cc13)C2	ZINC000100633259	HJ	Annotated	Anodyne	
COCCC(=O)C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1	ZINC000100638806	HJ	Annotated	Anodyne	
CC(C)(O)C(=O)C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1	ZINC000100638871	HJ	Annotated	Anodyne	
CO[C@@H](C)C(=O)C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1	ZINC000100638874	HJ	Annotated	Anodyne	
CO[C@H](C)C(=O)C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1	ZINC000100638876	HJ	Annotated	Anodyne	
C[C@@]12CC3CC(/N=C(\N)Nc4ccccc4I)(C1)C[C@@](C)(C3)C2	ZINC000100653338	HJ	Annotated	Mild	
C[C@]12CC3CC(/N=C(\N)Nc4ccccc4I)(C1)C[C@](C)(C3)C2	ZINC000100653339	HJ	Annotated	Mild	
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1C[C@H]1C(=O)Nc2ccccc21	ZINC000100676829	HJ	Annotated	Anodyne	
O=C1Nc2ccccc2[C@@H]1C[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O	ZINC000100676832	HJ	Annotated	Anodyne	
C=CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(N(C)C)cc1	ZINC000100703316	HJ	Annotated	Mild	 
C=CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(N(C)C)cc1	ZINC000100703317	HJ	Annotated	Mild	 
CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(N(C)C)cc1	ZINC000100703452	HJ	Annotated	Anodyne	 
CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(N(C)C)cc1	ZINC000100703454	HJ	Annotated	Anodyne	 
CCOC(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1	ZINC000100703947	HJ	Annotated	Anodyne	 
COC(=O)[C@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1	ZINC000100703981	HJ	Annotated	Anodyne	 
COC(=O)[C@@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1	ZINC000100703983	HJ	Annotated	Anodyne	 
CCOC(=O)[C@@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1cc(C)cc(C)c1	ZINC000100705266	HJ	Annotated	Anodyne	 
CCOC(=O)[C@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1cc(C)cc(C)c1	ZINC000100705268	HJ	Annotated	Anodyne	 
COC(=O)[C@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1cc(C)cc(C)c1	ZINC000100705344	HJ	Annotated	Anodyne	 
COC(=O)[C@@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1cc(C)cc(C)c1	ZINC000100705346	HJ	Annotated	Anodyne	 
Cn1c(SCc2ccc(Br)cc2)nc2c3ccccc3nc-2c1O	ZINC000100705402	HJ	Annotated	Anodyne	 
CCOC(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1cc(C)cc(C)c1	ZINC000100705879	HJ	Annotated	Anodyne	 
CCOC1(OCC)[C@H]2c3cc(Br)ccc3[C@@H]([n+]3ccccc32)C1(C)C	ZINC000100714797	HJ	Annotated	Anodyne	
CCOC1(OCC)[C@@H]2c3cc(Br)ccc3[C@H]([n+]3ccccc32)C1(C)C	ZINC000100714805	HJ	Annotated	Anodyne	
CCOC1(OCC)[C@H]2c3c(Br)cccc3[C@@H]([n+]3ccccc32)C1(C)C	ZINC000100714901	HJ	Annotated	Anodyne	
CCOC1(OCC)[C@@H]2c3c(Br)cccc3[C@H]([n+]3ccccc32)C1(C)C	ZINC000100714912	HJ	Annotated	Anodyne	
COc1cc(OC)c2c(c1)[C@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2cccc[n+]21	ZINC000100722075	HJ	Annotated	Anodyne	
COc1cc(OC)c2c(c1)[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2cccc[n+]21	ZINC000100722083	HJ	Annotated	Anodyne	
CCOC1(OCC)[C@@H]2c3ccccc3[C@H]([n+]3ccn(Cc4ccccc4)c32)C1(C)C	ZINC000100726816	HJ	Annotated	Anodyne	
CCOC1(OCC)[C@H]2c3ccccc3[C@@H]([n+]3ccn(Cc4ccccc4)c32)C1(C)C	ZINC000100726818	HJ	Annotated	Anodyne	
C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000100735544	HJ	Annotated	Anodyne	 
N#Cc1cccnc1/C(O)=C/c1nc2ccc(F)cc2c(=O)n1-c1ccccc1Cl	ZINC000100768063	HJ	Annotated	Mild	
COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]3(C)[C@@H]1C2	ZINC000100772858	HJ	Annotated	Anodyne	in-man endogenous
COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]3(C)[C@H]1C2	ZINC000100772860	HJ	Annotated	Anodyne	in-man endogenous
COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]3(C)[C@@H]1C2	ZINC000100772862	HJ	Annotated	Anodyne	in-man endogenous
COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]3(C)[C@H]1C2	ZINC000100772865	HJ	Annotated	Anodyne	in-man endogenous
CC1(C)[C@@H]2CC[C@@]3(C)Oc4cc(O)c([C@@H]5CC(=O)c6c(O)cc(O)cc6O5)cc4[C@@H]1[C@@H]23	ZINC000100774253	HJ	Annotated	Anodyne	in-man endogenous
CC1(C)[C@H]2CC[C@@]3(C)Oc4cc(O)c([C@@H]5CC(=O)c6c(O)cc(O)cc6O5)cc4[C@@H]1[C@@H]23	ZINC000100774255	HJ	Annotated	Anodyne	in-man endogenous
CC1(C)[C@H]2CC[C@]3(C)Oc4cc(O)c([C@@H]5CC(=O)c6c(O)cc(O)cc6O5)cc4[C@@H]1[C@@H]23	ZINC000100774260	HJ	Annotated	Anodyne	in-man endogenous
C=CC/C=C/C/C=C/CCCCCCC[C@@H](C(=O)OC)C(=O)/C(=C\C(=O)OC)OC	ZINC000100776032	HJ	Annotated	Mild	in-man endogenous
C=CC/C=C/C/C=C/CCCCCCC[C@H](C(=O)OC)C(=O)/C(=C\C(=O)OC)OC	ZINC000100776035	HJ	Annotated	Mild	in-man endogenous
CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O	ZINC000100782102	HJ	Annotated	Mild	in-man endogenous
COc1cccc([C@H]2CC3=Nc4ccc(Cl)cc4S(=O)(=O)C3=C(O)C2)c1OC	ZINC000100796252	HJ	Annotated	Anodyne	
COc1cccc([C@@H]2CC3=Nc4ccc(Cl)cc4S(=O)(=O)C3=C(O)C2)c1OC	ZINC000100796257	HJ	Annotated	Anodyne	
COc1ccc([C@H]2CC3=Nc4ccc(Cl)cc4S(=O)(=O)C3=C(O)C2)cc1OC	ZINC000100796315	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2CC3=Nc4ccc(Cl)cc4S(=O)(=O)C3=C(O)C2)cc1OC	ZINC000100796318	HJ	Annotated	Anodyne	
COc1cc(CNc2cc(Cl)c(/N=C/N(C)C)c(Cl)c2)cc(OC)c1OC	ZINC000100799414	HJ	Annotated	Mild	
COCc1c(/N=C(/S)OC)[nH]cc2nc3ccc(OCc4ccccc4)cc3c1-2	ZINC000100806173	HJ	Annotated	Mild	
COc1ccc(/C=C2/C(=O)N(C)c3ccc([N+](=O)[O-])cc32)cc1O[C@@H]1C[C@@H]2CC[C@@H]1C2	ZINC000100812714	HJ	Annotated	Bother	
COc1ccc(/C=C2/C(=O)N(C)c3ccc([N+](=O)[O-])cc32)cc1O[C@H]1C[C@@H]2CC[C@@H]1C2	ZINC000100812716	HJ	Annotated	Bother	
COC(=O)[C@@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(C#N)cc2)cc1)C3	ZINC000100816091	HJ	Annotated	Mild	
COC(=O)[C@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(C#N)cc2)cc1)C3	ZINC000100816094	HJ	Annotated	Mild	
COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4ccc(C#N)cc4)cc1)CN2C3	ZINC000100816099	HJ	Annotated	Mild	
COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4ccc(C#N)cc4)cc1)CN2C3	ZINC000100816103	HJ	Annotated	Mild	
C=C[C@](C)(O)CCC1=C(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]12C	ZINC000100823687	HJ	Annotated	Mild	in-man
C=C[C@](C)(O)CCC1=C(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]12C	ZINC000100823688	HJ	Annotated	Mild	in-man
C=C[C@](C)(O)CCC1=C(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]12C	ZINC000100823690	HJ	Annotated	Mild	in-man
C=C[C@](C)(O)CCC1=C(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]12C	ZINC000100823691	HJ	Annotated	Mild	in-man
CN(C)CCNc1c(OCc2ccccc2)ccc2sc3ccccc3c(=O)c12	ZINC000100824790	HJ	Annotated	Bother	
CC(C)CCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000100825929	HJ	Annotated	Mild	
CC(C)CCOC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000100825930	HJ	Annotated	Mild	
Cn1c(=O)c(C(=S)N(c2ccccc2)C(C)(C)C)c(O)c2cc(Cl)ccc21	ZINC000100829933	HJ	Annotated	Anodyne	
CC/C=C/C/C=C/C/C=C/CCCCCCCCOC(=O)C1=C(O)O[C@H](CO)C1=O	ZINC000100894254	HJ	Annotated	Mild	
CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(O)=C1\C(=O)N[C@@H](Cc2ccc(O)cc2)C1=O	ZINC000100899837	HJ	Annotated	Mild	in-vitro
CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(O)=C1\C(=O)N[C@H](Cc2ccc(O)cc2)C1=O	ZINC000100899841	HJ	Annotated	Mild	in-vitro
O=c1cc(Cc2ccccc2)[nH]c2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn12	ZINC000100914010	HJ	Annotated	Anodyne	 
CC(C)CC[C@@H](O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000100929043	HJ	Annotated	Mild	
CC(C)CC[C@@H](O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000100929050	HJ	Annotated	Mild	
CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)C#CC(C)(C)C)[C@]13C(=O)O	ZINC000100934836	HJ	Annotated	Mild	
CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C(=O)C#CC(C)(C)C)[C@]13C(=O)O	ZINC000100934839	HJ	Annotated	Mild	
CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)C#CC(C)(C)C)[C@]13C(=O)O	ZINC000100934841	HJ	Annotated	Mild	
CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C(=O)C#CC(C)(C)C)[C@]13C(=O)O	ZINC000100934844	HJ	Annotated	Mild	
CC(C)CCC(=O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000100936144	HJ	Annotated	Mild	
CC(C)CCC(=O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000100936145	HJ	Annotated	Mild	
CC(C)CCC(=O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000100936148	HJ	Annotated	Mild	
CC(C)CCC(=O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000100936151	HJ	Annotated	Mild	
COc1cccc2c1O[C@@H](CN1[C@H]3C=C(n4ccc5cc(F)ccc54)C[C@H]1CC3)CO2	ZINC000100936679	HJ	Annotated	Anodyne	
CCCCCCCCCCCCCCCCOC1=C(O)O[C@H]([C@H](O)CO)C1=O	ZINC000100982873	HJ	Annotated	Mild	
CCCCCCCCCCCCCCCCOC1=C(O)O[C@@H]([C@H](O)CO)C1=O	ZINC000100982875	HJ	Annotated	Mild	
CCCCCCCCCCCCCCCCOC1=C(O)O[C@H]([C@@H](O)CO)C1=O	ZINC000100982877	HJ	Annotated	Mild	
CCCCCCCCCCCCCCCCOC1=C(O)O[C@@H]([C@@H](O)CO)C1=O	ZINC000100982881	HJ	Annotated	Mild	
COc1cccc2c1O[C@@H](CN1[C@H]3C=C(c4cccc5cccnc45)C[C@H]1CC3)CO2	ZINC000100984904	HJ	Annotated	Anodyne	
O=C1C(c2c(O)[nH]c3cc(Br)ccc23)=Nc2cc(Br)ccc21	ZINC000100986138	HJ	Annotated	Anodyne	
CC(C)=CCO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000100988650	HJ	Annotated	Mild	
CC(C)=CCO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000100988654	HJ	Annotated	Mild	
CC(C)=CCO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000100988657	HJ	Annotated	Mild	
CC(C)=CCO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000100988660	HJ	Annotated	Mild	
CC[C@@H](C)CO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000100995088	HJ	Annotated	Mild	 
CC[C@@H](C)CO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000100995090	HJ	Annotated	Mild	
CC[C@@H](C)CO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000100995094	HJ	Annotated	Mild	
Fc1ccc2[nH]cc([C@@H]3CC[C@H](NCCOc4cccc5c4OCCO5)CC3)c2c1	ZINC000101000933	HJ	Annotated	Anodyne	
O=S(=O)(N[C@H]1[C@H]2CC[C@H]1Cc1c(Cl)cccc1C2)c1ccc(Cl)s1	ZINC000101007663	HJ	Annotated	Anodyne	
O=S(=O)(N[C@H]1[C@@H]2CC[C@@H]1Cc1c(Cl)cccc1C2)c1ccc(Cl)s1	ZINC000101007665	HJ	Annotated	Anodyne	
O=S(=O)(N[C@H]1[C@H]2CC[C@H]1Cc1cc(Cl)ccc1C2)c1ccc(Cl)s1	ZINC000101010013	HJ	Annotated	Anodyne	
O=S(=O)(N[C@H]1[C@@H]2CC[C@@H]1Cc1cc(Cl)ccc1C2)c1ccc(Cl)s1	ZINC000101010017	HJ	Annotated	Anodyne	
C[C@@H](COC(=O)c1ccc2ccccc2c1O)CC1=CC(=O)c2ccccc2C1=O	ZINC000101019680	HJ	Annotated	Mild	
C[C@H](COC(=O)c1ccc2ccccc2c1O)CC1=C(O)C(=O)c2ccccc2C1=O	ZINC000101020756	HJ	Annotated	Mild	
O=S(=O)(NC1[C@H]2CC[C@H]1Cc1ccccc1C2)c1cc(Cl)c(Cl)s1	ZINC000101027624	HJ	Annotated	Anodyne	
O=S(=O)(NC1[C@@H]2CC[C@@H]1Cc1ccccc1C2)c1cc(Cl)c(Cl)s1	ZINC000101027627	HJ	Annotated	Anodyne	
Fc1ccc2[nH]cc([C@@H]3CC[C@@H](NCCOc4cccc5c4OCCO5)CC3)c2c1	ZINC000101030956	HJ	Annotated	Anodyne	
N=c1c(Cc2ccc(Cl)c(Cl)c2)c[nH]c(=O)n1-c1ccc(Cl)cc1Cl	ZINC000101041923	HJ	Annotated	Anodyne	
C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCN(c4ccc(F)cc4)CC3)[C@@H]2CC/C(C)=C/CC1	ZINC000101047925	HJ	Annotated	Anodyne	
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2O)c1)N1CCCC1	ZINC000101051336	HJ	Annotated	Anodyne	
Cn1ccc2ccc(CN3CCC(/N=c4\cc(O)oc5ccc(Cl)cc45)CC3)cc21	ZINC000101055776	HJ	Annotated	Anodyne	
CNc1ccc(/C=C/c2cc(=O)c3cc([125I])ccc3o2)cc1	ZINC000101079969	HJ	Annotated	Anodyne	
CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2/C1=[N+](\[O-])Cc1ccccc1	ZINC000101118757	HJ	Annotated	Mild	
COc1cc(/C=C/C(O)=C2\CCC/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O	ZINC000101122121	HJ	Annotated	Mild	
O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)[C@@H](CCc2ccccc2)NC1=O	ZINC000101164702	HJ	Annotated	Anodyne	
O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)[C@H](CCc2ccccc2)NC1=O	ZINC000101164707	HJ	Annotated	Anodyne	
C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@](C#N)(C3CC3)CC2)cc1)C(F)(F)F	ZINC000101176223	HJ	Annotated	Mild	
CCCC[C@@H]1CN=C2N(CC[C@@H]3C[C@@H]4CC[C@@H]3C4)[C@H](Cc3ccc(OC)cc3)CN21	ZINC000101217263	HJ	Annotated	Anodyne	
CCCC[C@@H]1CN=C2N(CC[C@H]3C[C@@H]4CC[C@@H]3C4)[C@H](Cc3ccc(OC)cc3)CN21	ZINC000101217268	HJ	Annotated	Anodyne	
C[n+]1cc2c(O)c(OCc3ccccc3)ccc2c2ccc3cc4c(cc3c21)OCO4	ZINC000101244048	HJ	Annotated	Bother	
COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cccnc2)c1	ZINC000101257749	HJ	Annotated	Anodyne	 
COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cccnc2)c1	ZINC000101257754	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@@]23OO4	ZINC000101269679	HJ	Annotated	Reactive	
CN(C)Cc1ccc(CSCCNc2[nH]cc(Cc3ccccc3)c2[N+](=O)[O-])o1	ZINC000101339200	HJ	Annotated	Bother	
CN(C(=O)c1c(O)c2cc(Sc3ccccc3)ccc2n(C)c1=O)c1ccccc1	ZINC000101347034	HJ	Annotated	Anodyne	
CCCCCCCCCCCCCCCCCOC1=C(O)O[C@H]([C@H](O)CO)C1=O	ZINC000101349677	HJ	Annotated	Mild	
CCCCCCCCCCCCCCCCCOC1=C(O)O[C@@H]([C@H](O)CO)C1=O	ZINC000101349680	HJ	Annotated	Mild	
CCCCCCCCCCCCCCCCCOC1=C(O)O[C@H]([C@@H](O)CO)C1=O	ZINC000101349682	HJ	Annotated	Mild	
CCCCCCCCCCCCCCCCCOC1=C(O)O[C@@H]([C@@H](O)CO)C1=O	ZINC000101349687	HJ	Annotated	Mild	
CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1cccc3oc(-c4ccc(Cl)cc4)nc13)C2	ZINC000101372606	HJ	Annotated	Anodyne	
CC(=O)N(CCCC(F)(F)F)[C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1	ZINC000101402986	HJ	Annotated	Anodyne	
C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1)C2	ZINC000101420161	HJ	Annotated	Bother	
C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1)C2	ZINC000101420164	HJ	Annotated	Bother	
CN(C)c1ccc(/C=C/c2cc(=O)c3cc([125I])ccc3o2)cc1	ZINC000101420321	HJ	Annotated	Clean	
O=S(=O)(Oc1ccccc1)[C@@H]1C[C@@H]2O[C@@H]1C(c1ccccc1)=C2c1ccccc1	ZINC000101420359	HJ	Annotated	Anodyne	
O=S(=O)(Oc1ccccc1)[C@H]1C[C@@H]2O[C@@H]1C(c1ccccc1)=C2c1ccccc1	ZINC000101420368	HJ	Annotated	Anodyne	
C=C(C)CCC[C@]1(C)C2=C(CC[C@H]1C)[C@]1(C)CC[C@@H]2[C@@](O)(C2=CC(=O)O[C@@H]2O)C1	ZINC000101443341	HJ	Annotated	Mild	
C=C(C)CCC[C@]1(C)C2=C(CC[C@H]1C)[C@@]1(C)CC[C@H]2[C@@](O)(C2=CC(=O)O[C@@H]2O)C1	ZINC000101443349	HJ	Annotated	Mild	
Cn1c2ccccc2c2c3c(cccc31)c1ccc(NC(=O)C(F)(F)F)cc1[n+]2C	ZINC000101456601	HJ	Annotated	Bother	
CCCCC#CC(=O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000101494654	HJ	Annotated	Mild	 
CCCCC#CC(=O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000101494656	HJ	Annotated	Mild	
CCCCC#CC(=O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000101494657	HJ	Annotated	Mild	
CC(C)CCO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000101499544	HJ	Annotated	Mild	
CC(C)CCO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000101499545	HJ	Annotated	Mild	
CC(C)CCO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000101499548	HJ	Annotated	Mild	
CC(C)CCO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000101499550	HJ	Annotated	Mild	
Oc1oc(-c2ccccc2Br)nc1/C=N/c1ccc(Br)cn1	ZINC000101549864	HJ	Annotated	Mild	 
CC(=O)OCC(COC(C)=O)=C1C=C[C@]2(C)C/C=C(\C)CC[C@@H]3O[C@@]3(C)CC[C@@H]12	ZINC000101556139	HJ	Annotated	Anodyne	 
CCCc1c(N[C@@H]2CC[C@@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1	ZINC000101556656	HJ	Annotated	Anodyne	
CCc1c(N[C@@H]2CC[C@@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1	ZINC000101556664	HJ	Annotated	Anodyne	
O=C(NCc1ccccc1Cl)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1	ZINC000101569877	HJ	Annotated	Anodyne	
Oc1c2cnnc-2nc(SCc2c(F)cccc2F)n1-c1ccc(Cl)cc1	ZINC000101572930	HJ	Annotated	Anodyne	
COC(=O)/C(O)=C/C(=O)c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1	ZINC000101587995	HJ	Annotated	Mild	
C[C@@H](Nc1c(Nc2ccnc(Nc3cccc4ccccc34)n2)c(=O)c1=O)C(C)(C)C	ZINC000101595883	HJ	Annotated	Anodyne	
CCOc1ccc(-c2cs/c(=N\C(=N)c3ccccn3)n2-c2ccccc2)cc1	ZINC000101615982	HJ	Annotated	Anodyne	
C[C@@H]1CCCCN1Cc1c(O)ccc2c(O)c(-c3nc4ccccc4s3)c(=N)oc12	ZINC000101624103	HJ	Annotated	Clean	
C[C@H]1CCCCN1Cc1c(O)ccc2c(O)c(-c3nc4ccccc4s3)c(=N)oc12	ZINC000101624109	HJ	Annotated	Clean	
Cn1c(O)c(/N=N/C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21	ZINC000101624864	HJ	Annotated	Clean	
CC1CCN(Cc2c(O)ccc3c(O)c(-c4nc5ccccc5s4)c(=N)oc23)CC1	ZINC000101625296	HJ	Annotated	Clean	
CC(=O)Nc1ccc(/N=C2\C(=O)N(C)c3cccc4c(O)c5ccccc5c2c34)cc1	ZINC000101625646	HJ	Annotated	Mild	
CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1coc2ccccc2c1=O	ZINC000101627810	HJ	Annotated	Mild	
CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1coc2ccccc2c1=O	ZINC000101627812	HJ	Annotated	Mild	
COc1cc(/C(=N/C(=O)OC(C)(C)C)c2ccc3c(ccn3C)c2)cc(OC)c1OC	ZINC000101637361	HJ	Annotated	Mild	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccsc2)C2=C(O)CC(C)(C)CC2=N1	ZINC000101640669	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccsc2)C2=C(O)CC(C)(C)CC2=N1	ZINC000101640672	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccsc2)C2=C(O)CC(C)(C)CC2=N1	ZINC000101640674	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccsc2)C2=C(O)CC(C)(C)CC2=N1	ZINC000101640678	HJ	Annotated	Anodyne	
CC(C)N1C[C@H](OC(=O)c2ccccc2-c2ccccc2)[C@@H]2C[C@@H]1[C@H]1OC(C)(C)O[C@H]21	ZINC000101645430	HJ	Annotated	Anodyne	
CC(C)N1C[C@@H](OC(=O)c2ccccc2-c2ccccc2)[C@@H]2C[C@@H]1[C@H]1OC(C)(C)O[C@H]21	ZINC000101645434	HJ	Annotated	Anodyne	
CCCCc1c(O)n(-c2ccccc2C)c(SCC(=O)c2ccccc2)nc1=O	ZINC000101657706	HJ	Annotated	Anodyne	 
CCOC(=O)c1s/c(=N/c2ccc3oc(=O)ccc3c2)n(C2CCCCC2)c1C	ZINC000101675074	HJ	Annotated	Anodyne	
CCOC(=O)C1=C(NC(=O)c2oc3ccccc3c2C)Nc2ccccc2N=C1CC	ZINC000101677766	HJ	Annotated	Anodyne	
O[C@@H]1CC[C@@H](n2cc(-c3ccc4cn(Cc5ccc6ncccc6c5)nc4c3)cn2)CC1	ZINC000101686421	HJ	Annotated	Anodyne	
O[C@@H]1CC[C@@H](n2cc(-c3ccc4cnn(Cc5ccc6ncccc6c5)c4c3)cn2)CC1	ZINC000101686437	HJ	Annotated	Anodyne	
C=C1[C@H]2C[C@H](OC(=S)SC)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O	ZINC000101687243	HJ	Annotated	Mild	
CC(C)=CC(=O)/C=C(/C)CCC[C@@]1(C)OC(=O)[C@H](C(=O)c2ccc(O)cc2O)[C@H]1C	ZINC000101689374	HJ	Annotated	Mild	
CC(=O)O[C@H]1C/C(C)=C/C(=O)C[C@@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12	ZINC000101691806	HJ	Annotated	Mild	 
CC1c2cc(c(O)cc2O)C(C)c2cc(c(O)cc2O)C(C)c2cc1c(O)cc2O	ZINC000101692635	HJ	Annotated	Anodyne	
CC(=O)O[C@H]1/C=C(/C)CC(=O)C[C@@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12	ZINC000101692932	HJ	Annotated	Anodyne	 
FC(F)Oc1ccc(-c2cs/c(=N\c3cccnc3)n2C[C@@H]2CCCO2)cc1	ZINC000101700209	HJ	Annotated	Anodyne	 
FC(F)Oc1ccc(-c2cs/c(=N\c3cccnc3)n2C[C@H]2CCCO2)cc1	ZINC000101700213	HJ	Annotated	Anodyne	 
O=C(NCc1ccc(Cl)cc1)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1	ZINC000101713291	HJ	Annotated	Anodyne	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OC(=O)c2ccco2)c(Cl)c1	ZINC000101720837	HJ	Annotated	Clean	 
N#C/C(=C(/O)CN1CCN(c2ccccc2F)CC1)c1nc(-c2ccccc2)cs1	ZINC000101722436	HJ	Annotated	Reactive	
C[C@@H]1CCCN(Cc2c(O)ccc3c(O)c(-c4nc5ccccc5s4)c(=N)oc23)C1	ZINC000101725528	HJ	Annotated	Clean	
C[C@H]1CCCN(Cc2c(O)ccc3c(O)c(-c4nc5ccccc5s4)c(=N)oc23)C1	ZINC000101725533	HJ	Annotated	Clean	
O=C(OCc1nnc(-c2ccccc2)o1)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2	ZINC000101736952	HJ	Annotated	Anodyne	 
N#C/C(=C(/O)COC(=O)CSc1ccc2ccccc2c1)c1nc2ccccc2[nH]1	ZINC000101758791	HJ	Annotated	Reactive	aggregator
C/C=C/N1CCc2c(cc(OC(C)=O)c(OC(C)=O)c2Cl)[C@H](c2ccccc2)C1	ZINC000101771674	HJ	Annotated	Anodyne	
C/C=C/N1CCc2c(cc(OC(C)=O)c(OC(C)=O)c2Cl)[C@@H](c2ccccc2)C1	ZINC000101771679	HJ	Annotated	Anodyne	
CC(=N)/C(C#N)=C(/O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(C)cc1	ZINC000101849465	HJ	Annotated	Reactive	 
CCn1c(O)c(/N=N/C(=O)c2ccc(CSc3nncn3C)cc2)c2ccccc21	ZINC000101882235	HJ	Annotated	Clean	
O=C1CCCc2nc(-c3ccsc3)c3c(c21)C(=O)C=C(Nc1ccccc1)C3=O	ZINC000101900078	HJ	Annotated	Mild	
CC(C)CCn1c(O)c(/N=N/C(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21	ZINC000101916846	HJ	Annotated	Clean	
Oc1oc(-c2ccc(Br)cc2)nc1/C=N/c1ccc(Br)cn1	ZINC000101924411	HJ	Annotated	Mild	 
Cc1ccc(S(=O)(=O)/N=C(/Cc2ccc(N(C)C)cc2)N(C(C)C)C(C)C)cc1	ZINC000101927407	HJ	Annotated	Mild	
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H]1O[C@H]2[C@@H](C)[C@H]1C	ZINC000101933911	HJ	Annotated	Anodyne	 
CO[C@H]1CC[C@@H]2[C@@H]3O[C@H](C=C3/C=C/[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[C@@H]2O1	ZINC000102007178	HJ	Annotated	Mild	
CCOC(=O)/C(O)=C/C(=O)c1cn(Cc2ccc(Cl)cc2)c2cccc(OC)c12	ZINC000102058130	HJ	Annotated	Mild	
CCOC(=O)/C(O)=C/C(=O)c1cn(Cc2ccccc2Cl)c2cccc(OC)c12	ZINC000102119611	HJ	Annotated	Mild	
CN(C)Cc1cc(OCCC[18F])ccc1Sc1ccc(Br)cc1N	ZINC000102174769	HJ	Annotated	Anodyne	
C[C@@H](COC(=O)c1ccc2ccccc2c1)CC1=C(O)C(=O)c2ccccc2C1=O	ZINC000102254819	HJ	Annotated	Mild	
CC(C)CO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000102265325	HJ	Annotated	Mild	
CC(C)CO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000102265331	HJ	Annotated	Mild	
CC(C)CO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000102265336	HJ	Annotated	Mild	
CC(C)CO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000102265342	HJ	Annotated	Mild	
COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)c(OC)c1OC	ZINC000102344126	HJ	Annotated	Anodyne	 
COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)c(OC)c1OC	ZINC000102344131	HJ	Annotated	Anodyne	 
O=C1CCC/C(=N\NC(=O)c2ccc(CSc3cccc4cccnc34)cc2)C1	ZINC000102353900	HJ	Annotated	Reactive	 
CCOC(=O)C(/C=N/c1cccnc1Oc1ccc(C)c2c1CCC2)=C(\O)OCC	ZINC000102392843	HJ	Annotated	Mild	 
O=C(Cn1c(O)c(/N=N\C(=O)c2ccccc2O)c2ccccc21)Nc1ccccc1	ZINC000102402382	HJ	Annotated	Clean	
C=C(C)[C@@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@H]1CC(=O)/C(C)=C/CC/C(C)=C/[C@H]2OC(C)=O	ZINC000102402484	HJ	Annotated	Mild	
CCOc1ccc(/C=C/C(O)=C2\C(=O)N(C)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1OC	ZINC000102411544	HJ	Annotated	Anodyne	 
CCOc1ccc(/C=C/C(O)=C2\C(=O)N(C)[C@]3(C)C[C@H]2c2ccccc2O3)cc1OC	ZINC000102411548	HJ	Annotated	Anodyne	
CCOc1ccc(/C=C/C(O)=C2\C(=O)N(C)[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1OC	ZINC000102411550	HJ	Annotated	Anodyne	 
CCOc1ccc(/C=C/C(O)=C2\C(=O)N(C)[C@@]3(C)C[C@H]2c2ccccc2O3)cc1OC	ZINC000102411551	HJ	Annotated	Anodyne	
CCN/C=C1/C=C(/C=C/C(=O)c2ccccc2)c2c(ccc3c(C)cc(=O)oc23)C1=O	ZINC000102413829	HJ	Annotated	Mild	
O=C(NN=C1[C@@H]2CCC[C@@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1)c1ccncc1	ZINC000102427732	HJ	Annotated	Reactive	
O=C(NN=C1[C@H]2CCC[C@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1)c1ccncc1	ZINC000102427736	HJ	Annotated	Reactive	
Nc1nn2c(-c3ccccc3)cc(O)nc2c1/N=N\c1ccc(Br)cc1	ZINC000102449157	HJ	Annotated	Clean	
C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/Cc1ccccc1	ZINC000102504285	HJ	Annotated	Mild	 
Cc1cccc(C)c1OCC(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12	ZINC000102541289	HJ	Annotated	Clean	
CC(C)n1c(O)c(/N=N\C(=O)CNC(=O)Cc2ccc(Cl)cc2)c2ccccc21	ZINC000102541892	HJ	Annotated	Clean	
CN(C)c1ccc(-c2nc3n(n2)[C@@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N3)cc1	ZINC000102577093	HJ	Annotated	Anodyne	
CN(C)c1ccc(-c2nc3n(n2)[C@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N3)cc1	ZINC000102577095	HJ	Annotated	Anodyne	
COc1ccc([C@H]2C=CCN(CC(C)C)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1	ZINC000102624181	HJ	Annotated	Anodyne	 
C/N=c1\c(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c(O)oc2ccccc12	ZINC000102627484	HJ	Annotated	Anodyne	 
COc1ccc(-c2nc3n(n2)[C@H](c2ccccc2)C2=C(O)CCCC2=N3)cc1OC	ZINC000102656265	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3n(n2)[C@@H](c2ccccc2)C2=C(O)CCCC2=N3)cc1OC	ZINC000102656267	HJ	Annotated	Anodyne	
OC1(c2cccc(C(F)(F)F)c2)CCN(c2[nH]cnc3c4ccccc4nc2-3)CC1	ZINC000102671795	HJ	Annotated	Anodyne	
Cc1ccc(/C(O)=C/C=N/c2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1	ZINC000102674701	HJ	Annotated	Mild	
Cc1ccc(C/N=C\c2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)cc1	ZINC000102681639	HJ	Annotated	Mild	 
CCOc1cc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(C)=O)s2)ccc1O	ZINC000102683704	HJ	Annotated	Reactive	 
COc1cc(OC)c([C@@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)cc1OC	ZINC000102704506	HJ	Annotated	Anodyne	 
COc1cc(OC)c([C@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)cc1OC	ZINC000102704508	HJ	Annotated	Anodyne	 
COc1cc([C@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)ccc1O	ZINC000102714355	HJ	Annotated	Anodyne	 
COc1cc([C@@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)ccc1O	ZINC000102714357	HJ	Annotated	Anodyne	 
CCN(CC)c1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOC)cc1	ZINC000102738625	HJ	Annotated	Anodyne	
CCN(CC)c1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOC)cc1	ZINC000102738630	HJ	Annotated	Anodyne	
N#C/C(=C(\O)CN1CCN(c2ccccc2F)CC1)c1nc(-c2ccccc2)cs1	ZINC000102817631	HJ	Annotated	Reactive	
N#Cc1ccc2c(c1)C[C@]1(c3ccsc3)Oc3c(c(=O)oc4ccc(F)cc34)[C@@H]2O1	ZINC000102818248	HJ	Annotated	Mild	
N#Cc1ccc2c(c1)C[C@@]1(c3ccsc3)Oc3c(c(=O)oc4ccc(F)cc34)[C@H]2O1	ZINC000102818250	HJ	Annotated	Mild	
CCCC[C@]12Cc3cc(OC)c(OC)cc3[C@@H](O1)C1=C(O2)C(=O)c2ccccc2C1=O	ZINC000102818822	HJ	Annotated	Mild	
CCCC[C@@]12Cc3cc(OC)c(OC)cc3[C@H](O1)C1=C(O2)C(=O)c2ccccc2C1=O	ZINC000102818824	HJ	Annotated	Mild	
N#Cc1c(Cl)c(Cl)c2c(C(=O)c3ccccc3)c3n(c(=N)c2c1Cl)CCO3	ZINC000102827705	HJ	Annotated	Mild	
O=c1c2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)nc2nc2[nH]nc(CCl)n12	ZINC000102840661	HJ	Annotated	Reactive	
N#Cc1c(Cl)c(Cl)c2c(C(=O)c3ccccc3)c3n(c(=N)c2c1Cl)CCN3	ZINC000102843814	HJ	Annotated	Mild	
CCc1n[nH]c2nc3nc(-c4ccccc4)cc(-c4ccc(Cl)cc4)c3c(=O)n12	ZINC000102845627	HJ	Annotated	Anodyne	
O=c1c2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)nc2nc2[nH][nH]c(=S)n12	ZINC000102845629	HJ	Annotated	Anodyne	
CSc1n[nH]c2nc3nc(-c4ccccc4)cc(-c4ccc(Cl)cc4)c3c(=O)n12	ZINC000102845631	HJ	Annotated	Anodyne	
CCCC[C@]12Cc3cc(C#N)ccc3[C@@H](O1)c1c(cc(C)n(-c3ccccc3)c1=O)O2	ZINC000102847754	HJ	Annotated	Mild	
CCCC[C@@]12Cc3cc(C#N)ccc3[C@H](O1)c1c(cc(C)n(-c3ccccc3)c1=O)O2	ZINC000102847756	HJ	Annotated	Mild	
COc1ccc([C@]23Cc4ccccc4[C@@H](O2)C2=C(O3)C(=O)c3ccccc3C2=O)cc1	ZINC000102849773	HJ	Annotated	Mild	
COc1ccc([C@@]23Cc4ccccc4[C@H](O2)C2=C(O3)C(=O)c3ccccc3C2=O)cc1	ZINC000102849776	HJ	Annotated	Mild	
COc1cc2c(cc1OC)[C@H]1O[C@](c3ccsc3)(C2)OC2=C1C(=O)CC(C)(C)C2	ZINC000102853368	HJ	Annotated	Mild	
COc1cc2c(cc1OC)[C@@H]1O[C@@](c3ccsc3)(C2)OC2=C1C(=O)CC(C)(C)C2	ZINC000102853371	HJ	Annotated	Mild	
COc1ccc2c3c(c(=O)oc2c1)[C@H]1O[C@@](c2ccsc2)(Cc2ccccc21)O3	ZINC000102888040	HJ	Annotated	Anodyne	
COc1ccc2c3c(c(=O)oc2c1)[C@@H]1O[C@](c2ccsc2)(Cc2ccccc21)O3	ZINC000102888043	HJ	Annotated	Anodyne	
COC(=O)c1ccc2[nH]cc([C@H](C(=O)c3ccccc3)[C@@H]3C(=O)Nc4ccccc43)c2c1	ZINC000102908646	HJ	Annotated	Anodyne	
COC(=O)c1ccc2[nH]cc([C@@H](C(=O)c3ccccc3)[C@@H]3C(=O)Nc4ccccc43)c2c1	ZINC000102908648	HJ	Annotated	Anodyne	
CC1=CS/C(=C(\C#N)c2nnc(NC(=O)c3ccccc3)o2)N1c1ccccc1	ZINC000102921514	HJ	Annotated	Reactive	
C=C(C)[C@@H](O)Cc1cc(/C(O)=C/C(=O)c2cc(CC=C(C)C)c(O)cc2O)ccc1O	ZINC000102943540	HJ	Annotated	Mild	 
C=C(C)[C@H](O)Cc1cc(/C(O)=C/C(=O)c2cc(CC=C(C)C)c(O)cc2O)ccc1O	ZINC000102943542	HJ	Annotated	Mild	 
CN/N=C(\C)[C@@H](CN1CCCCC1)[C@@H](C1=C(O)c2ccccc2OC1)c1ccccc1	ZINC000102963457	HJ	Annotated	Mild	
CN/N=C(\C)[C@H](CN1CCCCC1)[C@@H](C1=C(O)c2ccccc2OC1)c1ccccc1	ZINC000102963460	HJ	Annotated	Mild	
O=C1NN=C2C=C(c3ccc(Cl)cc3)C[C@@H](c3cccc(Br)c3)[C@H]12	ZINC000102964562	HJ	Annotated	Anodyne	
O=C1NN=C2C=C(c3ccc(Cl)cc3)C[C@H](c3cccc(Br)c3)[C@H]12	ZINC000102964563	HJ	Annotated	Anodyne	
O=C1NN=C2C=C(c3ccc(Cl)cc3)C[C@@H](c3cccc(Br)c3)[C@@H]12	ZINC000102964565	HJ	Annotated	Anodyne	
O=C1NN=C2C=C(c3ccc(Cl)cc3)C[C@H](c3cccc(Br)c3)[C@@H]12	ZINC000102964567	HJ	Annotated	Anodyne	
C[C@@]1(C(=O)Nc2ccc3cc4ccccc4cc3c2)C[C@]2(C)C[C@@](C)(C1)[C@@H](O)NC2=O	ZINC000102987010	HJ	Annotated	Bother	
C[C@]1(C(=O)Nc2ccc3cc4ccccc4cc3c2)C[C@@]2(C)C[C@](C)(C1)C(=O)N[C@@H]2O	ZINC000102987012	HJ	Annotated	Bother	
CN1CCCN(c2c3c4ccccc4nc-3n(C)c3ccc(Br)cc23)CC1	ZINC000103006016	HJ	Annotated	Bother	
Cc1ccc(C(=O)N2c3ccccc3N=C(c3ccccc3)[C@@H]2C(=O)NC(C)C)cc1	ZINC000103054188	HJ	Annotated	Anodyne	 
Cc1ccc(C(=O)N2c3ccccc3N=C(c3ccccc3)[C@H]2C(=O)NC(C)C)cc1	ZINC000103054190	HJ	Annotated	Anodyne	 
COc1ccc(N2C(=O)CS/C2=N/Nc2c3ccccc3nc3ccccc23)cc1	ZINC000103074087	HJ	Annotated	Mild	
CCC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]3[C@H](CC/C(C)=C/[C@@H]12)C3(C)C	ZINC000103100518	HJ	Annotated	Mild	 
CC(=S)NS(=O)(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1	ZINC000103138526	HJ	Annotated	Anodyne	 
O=C1/C=C/[C@@H](O)[C@@H]2C[C@@H](O)C[C@H]2/C=C/CCC[C@H](CCc2cccc3ccccc23)O1	ZINC000103146821	HJ	Annotated	Anodyne	 
COc1ccc(C2=C(C3CC3)[C@@H]3C(=O)c4ccccc4C(=O)[C@]23OC)c2cccnc12	ZINC000103151882	HJ	Annotated	Clean	 
COc1ccc(C2=C(C3CC3)[C@@H]3C(=O)c4ccccc4C(=O)[C@@]23OC)c2cccnc12	ZINC000103151886	HJ	Annotated	Clean	 
COc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2N)cc1	ZINC000103168309	HJ	Annotated	Mild	 
COc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccncc2)cc1	ZINC000103168313	HJ	Annotated	Mild	 
CCN(CC)CN1C(=O)N(c2ccccc2)C(=O)C1(c1ccccc1)c1ccccc1	ZINC000103168358	HJ	Annotated	Anodyne	 
CO[C@@H](c1cc(C)no1)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1	ZINC000103168592	HJ	Annotated	Mild	 
CO[C@H](c1cc(C)no1)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1	ZINC000103168594	HJ	Annotated	Mild	 
Cc1ccc(-c2nn(-c3ccc(Br)cc3)c(/N=C/N(C)C)c2C=O)cc1	ZINC000103169836	HJ	Annotated	Mild	 
Nc1nc(-c2ccc(Nc3cc(=O)oc4ccccc34)cc2)cc(-c2ccccc2O)n1	ZINC000103170316	HJ	Annotated	Anodyne	 
CC1(C)COP(=O)([C@H](OC(=O)COc2ccccc2Cl)c2ccco2)OC1	ZINC000103173595	HJ	Annotated	Anodyne	 
CC1(C)COP(=O)([C@@H](OC(=O)COc2ccccc2Cl)c2ccco2)OC1	ZINC000103173596	HJ	Annotated	Anodyne	 
Cc1cc(C2(O)CCC(=O)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C	ZINC000103174159	HJ	Annotated	Anodyne	 
COc1ccc(OC)c(/C=C2\C=C(Cc3ccc(Br)cc3)C(=O)O2)c1	ZINC000103175023	HJ	Annotated	Anodyne	 
Cn1nc(C(F)(F)F)c(/C=N/OCc2cnc(Cl)s2)c1Oc1ccccc1	ZINC000103175657	HJ	Annotated	Mild	 
Cc1ccc(NC(=O)NS(=O)(=O)[C@@H]2CCCCCCCCCCC2=O)cc1C	ZINC000103176263	HJ	Annotated	Anodyne	 
Cc1ccc(NC(=O)NS(=O)(=O)[C@H]2CCCCCCCCCCC2=O)cc1C	ZINC000103176268	HJ	Annotated	Anodyne	 
COc1ccc(OC)c(C2=C(C)CN(C(C)(C)c3nc4ccccc4s3)C2=O)c1	ZINC000103176576	HJ	Annotated	Anodyne	 
Cc1c(OC(F)(F)F)ccc(-n2sc(-c3c(F)cccc3F)nc2=O)c1F	ZINC000103177597	HJ	Annotated	Anodyne	 
O=c1nc(-c2ccccc2Br)sn1-c1ccc(OC(F)(F)F)cc1	ZINC000103177701	HJ	Annotated	Anodyne	 
O=c1nc(-c2c(F)cccc2F)sn1-c1ccc(OC(F)(F)F)c(Cl)c1	ZINC000103177784	HJ	Annotated	Anodyne	 
COC(=O)[C@H](C)n1nnc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc21	ZINC000103177934	HJ	Annotated	Anodyne	 
CCC(=O)COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCCN1C3	ZINC000103179192	HJ	Annotated	Bother	 
CCC(=O)COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CCCN1C3	ZINC000103179196	HJ	Annotated	Bother	 
Cc1nc(C(C)(C)C)sc1C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1	ZINC000103179328	HJ	Annotated	Anodyne	 
COC(=O)ON1C(=O)C(c2c(C)cc(C)cc2C)=C(OC(=O)CC(C)(C)C)C1(C)C	ZINC000103181923	HJ	Annotated	Mild	 
COC(=O)CCn1nnc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc21	ZINC000103182355	HJ	Annotated	Anodyne	 
CCOCON1C(=O)C(c2c(C)cc(C)cc2C)=C(OC(=O)CC(C)(C)C)C1(C)C	ZINC000103183542	HJ	Annotated	Anodyne	 
CC(C)c1csc(-c2nnc(Sc3nnc(CCl)o3)n2-c2ccccc2)n1	ZINC000103183690	HJ	Annotated	Reactive	 
CO/N=C(/C(=O)C1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCCC2)c1ccccc1	ZINC000103183878	HJ	Annotated	Mild	 
O=C(c1ccc(-c2cc3cc(Br)ccc3oc2=O)nc1)c1ccccc1O	ZINC000103184156	HJ	Annotated	Anodyne	 
CCc1cc(C(=O)N(Cc2ccc(Oc3ccc(Cl)cc3)cc2)C(C)=O)n(C)n1	ZINC000103184175	HJ	Annotated	Anodyne	 
CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c1F	ZINC000103184297	HJ	Annotated	Anodyne	 
Cc1c(O)c(-c2c(O)c(C)c3c(c2O)CO[C@@H](C)[C@@H]3C)c(O)c2c1[C@H](C)[C@@H](C)OC2	ZINC000103184386	HJ	Annotated	Anodyne	 
Cc1ccc2ccc3c(c2n1)OC(/N=C/N)=C(C#N)[C@@H]3c1ccc(Br)cc1	ZINC000103184872	HJ	Annotated	Reactive	 
Cc1ccc2ccc3c(c2n1)OC(/N=C/N)=C(C#N)[C@H]3c1ccc(Br)cc1	ZINC000103184874	HJ	Annotated	Reactive	 
C#CCSc1nnc([C@@H](C)Oc2ccc(Oc3ncc(Cl)cc3F)cc2)o1	ZINC000103184930	HJ	Annotated	Mild	 
COc1ccc(CCNC(=O)/C=C(\c2ccncc2)c2ccc(C)c(C)c2)cc1OC	ZINC000103185957	HJ	Annotated	Anodyne	 
CCc1ccc(/C(=C/C(=O)NCCc2ccc(O)cc2)c2ccnc(Cl)c2)cc1	ZINC000103187119	HJ	Annotated	Anodyne	 
Cc1ccc(/C(=C/C(=O)NCCc2ccc(O)cc2)c2ccnc(Cl)c2)cc1C	ZINC000103187122	HJ	Annotated	Anodyne	 
Cc1ccc(/C(=C/C(=O)NCCc2ccc(O)cc2)c2ccnc(Cl)c2)c(C)c1	ZINC000103187125	HJ	Annotated	Anodyne	 
COc1ccc(/C=N/N=c2\scc(-c3cc(O)ccc3O)n2-c2ccccc2)cc1	ZINC000103187147	HJ	Annotated	Mild	 
COc1cccc2cc(-c3ccc4c(=O)oc5ccc(Cl)cc5c4n3)c(=O)oc12	ZINC000103187481	HJ	Annotated	Bother	 
Cc1ccc(-c2cc(-c3cc4ccccc4oc3=O)n(C(=O)c3ccncc3)n2)cc1	ZINC000103187744	HJ	Annotated	Anodyne	 
O=C(c1ccncc1)n1nc(-c2ccc(F)cc2)cc1-c1cc2ccccc2oc1=O	ZINC000103187748	HJ	Annotated	Anodyne	 
CN1c2ccccc2C(=O)NN(c2ccccc2)[C@@H]1c1ccc(Br)cc1	ZINC000103187935	HJ	Annotated	Anodyne	 
O=C1CCCC(Nc2ccccc2Cl)=C1S(=O)(=O)Nc1ccccc1Cl	ZINC000103188585	HJ	Annotated	Mild	 
O=C1CCCC(Nc2ccc(Cl)cc2)=C1S(=O)(=O)Nc1ccc(Cl)cc1	ZINC000103188589	HJ	Annotated	Mild	 
CSc1ccc(Oc2ccc(CNC(=O)c3c4c(nn3C)[C@H](C)CC4)cc2)cc1	ZINC000103188856	HJ	Annotated	Anodyne	 
CSc1ccc(Oc2ccc(CNC(=O)c3c4c(nn3C)[C@@H](C)CC4)cc2)cc1	ZINC000103188858	HJ	Annotated	Anodyne	 
COc1ccc([C@@H]2C(c3ccccc3)=NO[C@@]23CSc2ccccc2C3=O)cc1	ZINC000103190269	HJ	Annotated	Anodyne	 
COc1ccc([C@H]2C(c3ccccc3)=NO[C@@]23CSc2ccccc2C3=O)cc1	ZINC000103190271	HJ	Annotated	Anodyne	 
COc1ccc([C@@H]2C(c3ccccc3)=NO[C@]23CSc2ccccc2C3=O)cc1	ZINC000103190274	HJ	Annotated	Anodyne	 
COc1ccc([C@H]2C(c3ccccc3)=NO[C@]23CSc2ccccc2C3=O)cc1	ZINC000103190276	HJ	Annotated	Anodyne	 
COP(=O)(OC)[C@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1cccs1	ZINC000103190358	HJ	Annotated	Anodyne	 
COP(=O)(OC)[C@@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1cccs1	ZINC000103190362	HJ	Annotated	Anodyne	 
COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1F)c1cccs1	ZINC000103190383	HJ	Annotated	Anodyne	 
COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1F)c1cccs1	ZINC000103190385	HJ	Annotated	Anodyne	 
Cc1c(OC(F)(F)F)ccc(-n2sc(-c3c(F)cccc3F)nc2=O)c1C	ZINC000103190976	HJ	Annotated	Anodyne	 
Cc1cc(-n2sc(-c3c(F)cccc3F)nc2=O)c(C)cc1OC(F)(F)F	ZINC000103190978	HJ	Annotated	Anodyne	 
Cc1cc(-n2sc(-c3c(F)cccc3F)nc2=O)cc(C)c1OC(F)(F)F	ZINC000103190983	HJ	Annotated	Anodyne	 
COc1ccc(OC)c(/C=C2\CCC[C@@H]3C2=NN[C@@H]3c2cc(OC)ccc2OC)c1	ZINC000103191817	HJ	Annotated	Anodyne	 
COc1ccc(OC)c(/C=C2\CCC[C@H]3C2=NN[C@@H]3c2cc(OC)ccc2OC)c1	ZINC000103191819	HJ	Annotated	Anodyne	 
COc1ccc(OC)c(/C=C2\CCC[C@@H]3C2=NN[C@H]3c2cc(OC)ccc2OC)c1	ZINC000103191821	HJ	Annotated	Anodyne	 
COc1ccc(OC)c(/C=C2\CCC[C@H]3C2=NN[C@H]3c2cc(OC)ccc2OC)c1	ZINC000103191823	HJ	Annotated	Anodyne	 
COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)cc1Cl)c1cccs1	ZINC000103192238	HJ	Annotated	Anodyne	 
COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)cc1Cl)c1cccs1	ZINC000103192239	HJ	Annotated	Anodyne	 
CNC(=O)[C@@H](OC)c1ccccc1CO/N=C(\C)c1ccc(-c2ccccc2)cc1	ZINC000103192884	HJ	Annotated	Mild	 
CNC(=O)[C@H](OC)c1ccccc1CO/N=C(\C)c1ccc(-c2ccccc2)cc1	ZINC000103192887	HJ	Annotated	Mild	 
C[C@@H]1CC[C@H]2[C@@](C)(CO/C(S)=N/c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4	ZINC000103194259	HJ	Annotated	Reactive	 
C[C@@H]1CC[C@H]2[C@@](C)(CO/C(S)=N/c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	ZINC000103194263	HJ	Annotated	Reactive	 
O=C1/C(=C\N=C2C=CC=C2)S/C(=N\c2ccccc2)N1Cc1nc2ccccc2[nH]1	ZINC000103194786	HJ	Annotated	Mild	 
O=[N+]([O-])c1ccc(-c2cnc(S)n2NC(=S)Nc2cccc3ccccc23)cc1	ZINC000103196552	HJ	Annotated	Bother	 
CC(C)[C@H](C(=O)/N=c1/nc2nc(Cl)cc(Cl)n2s1)c1ccc(Cl)cc1	ZINC000103198062	HJ	Annotated	Anodyne	 
COc1ccc(C2=C(C)CN(C(C)(C)c3nc4ccccc4s3)C2=O)cc1OC	ZINC000103199094	HJ	Annotated	Anodyne	 
O=c1nc(-c2ccccc2C(F)(F)F)sn1-c1ccc(OC(F)(F)F)cc1	ZINC000103200225	HJ	Annotated	Anodyne	 
O=c1nc(-c2c(F)cccc2F)sn1-c1ccc(OC(F)(F)F)cc1Cl	ZINC000103200239	HJ	Annotated	Anodyne	 
CCN(CC)SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(Cl)cc1	ZINC000103200756	HJ	Annotated	Anodyne	 
CN(C)c1ccc(/C=C/C(=N\NC(=O)Nc2ccc(F)cc2)c2ccccc2O)cc1	ZINC000103200918	HJ	Annotated	Reactive	 
CC(C)(C)C1=NO[C@H](c2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2)C1	ZINC000103201082	HJ	Annotated	Anodyne	 
CC(C)(C)C1=NO[C@@H](c2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2)C1	ZINC000103201085	HJ	Annotated	Anodyne	 
CC1=NN(c2nc3ccc(Cl)cc3s2)C(=O)/C1=N/Nc1ccccc1Cl	ZINC000103202049	HJ	Annotated	Mild	 
N#Cc1c(Br)c(C(F)(F)F)n(COC=O)c1-c1ccc(Cl)cc1	ZINC000103202331	HJ	Annotated	Mild	 
CC(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F	ZINC000103202333	HJ	Annotated	Mild	 
COc1cc2cc(C(=O)N3CCCCC3)c3cc(OC)c(OC)cc3c2cc1OC	ZINC000103202469	HJ	Annotated	Bother	 
S=C1NN(c2ccccc2)C2(C[C@H](c3ccccc3)O[C@@H](c3ccccc3)C2)N1	ZINC000103202666	HJ	Annotated	Anodyne	 
S=C1NN(c2ccccc2)C2(C[C@@H](c3ccccc3)O[C@H](c3ccccc3)C2)N1	ZINC000103202668	HJ	Annotated	Anodyne	 
C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000103202691	HJ	Annotated	Mild	 
C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000103202694	HJ	Annotated	Mild	 
C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)OC(=O)CCc4c[nH]c5ccccc45)[C@@H]3C[C@H]12	ZINC000103202697	HJ	Annotated	Mild	 
C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)CCc4c[nH]c5ccccc45)[C@@H]3C[C@H]12	ZINC000103202701	HJ	Annotated	Mild	 
CC1=NN(c2nc3ccc(Cl)cc3s2)C(=O)/C1=N/Nc1ccc(Cl)cc1	ZINC000103203434	HJ	Annotated	Mild	 
Cc1ccsc1/C=N/NC(=O)c1cc(Cl)ccc1C(=O)NC1CCCCC1	ZINC000103204024	HJ	Annotated	Reactive	 
O=c1c2ccccc2nc(-c2ccccc2)n1-c1nnc(-c2ccc(Cl)cc2)o1	ZINC000103204758	HJ	Annotated	Anodyne	 
O=C1CCCCCCCCCC[C@@H](NS(=O)(=O)c2cccs2)CCCO1	ZINC000103205070	HJ	Annotated	Anodyne	 
O=C1CCCCCCCCCC[C@H](NS(=O)(=O)c2cccs2)CCCO1	ZINC000103205071	HJ	Annotated	Anodyne	 
O=C1CCCCCCCCCC[C@@H](NS(=O)(=O)Cc2ccccc2)CCCO1	ZINC000103205073	HJ	Annotated	Anodyne	 
O=C1CCCCCCCCCC[C@H](NS(=O)(=O)Cc2ccccc2)CCCO1	ZINC000103205077	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)CCCCCCCCCCC(=O)O1	ZINC000103205085	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)CCCCCCCCCCC(=O)O1	ZINC000103205089	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)CCCCCCCCCCC(=O)O1	ZINC000103205090	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)CCCCCCCCCCC(=O)O1	ZINC000103205093	HJ	Annotated	Anodyne	 
O=C(Nc1cccc(Cl)c1)NS(=O)(=O)[C@@H]1CCCCCCCCCCC1=O	ZINC000103205215	HJ	Annotated	Anodyne	 
O=C(Nc1cccc(Cl)c1)NS(=O)(=O)[C@H]1CCCCCCCCCCC1=O	ZINC000103205217	HJ	Annotated	Anodyne	 
COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1	ZINC000103206976	HJ	Annotated	Reactive	 
COc1ccc(-c2[nH]c3ccccc3c2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1	ZINC000103206979	HJ	Annotated	Reactive	 
Cc1cccc(C(=O)NNCc2cccc(C(F)(F)F)c2)c1NC(=O)CC(C)(C)C	ZINC000103207470	HJ	Annotated	Reactive	 
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(C2=NOC3(CCCCC3)C2)cc1	ZINC000103209074	HJ	Annotated	Anodyne	 
Cc1cc(Cl)cc(C(=O)NNCc2ccccc2Cl)c1NC(=O)C(C)(C)C	ZINC000103211811	HJ	Annotated	Reactive	 
N#Cc1ccc([C@@H]2CC(=O)c3cc(Br)cc(Br)c3N2)cc1	ZINC000103213467	HJ	Annotated	Mild	 
N#Cc1ccc([C@H]2CC(=O)c3cc(Br)cc(Br)c3N2)cc1	ZINC000103213469	HJ	Annotated	Mild	 
COc1ccc([C@@H]2CC(=O)c3cc(Br)cc(Br)c3N2)cc1	ZINC000103213471	HJ	Annotated	Anodyne	 
COc1ccc([C@H]2CC(=O)c3cc(Br)cc(Br)c3N2)cc1	ZINC000103213473	HJ	Annotated	Anodyne	 
CC1(C)CC(=O)C2=C(C1)Oc1nc3c(c(N)c1[C@H]2c1ccc([N+](=O)[O-])cc1)CCCC3	ZINC000103214187	HJ	Annotated	Mild	 
CC1(C)COP(=O)([C@H](OC(=O)COc2ccc(Cl)cc2)c2ccco2)OC1	ZINC000103215308	HJ	Annotated	Anodyne	 
CC1(C)COP(=O)([C@@H](OC(=O)COc2ccc(Cl)cc2)c2ccco2)OC1	ZINC000103215310	HJ	Annotated	Anodyne	 
COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)cc1Cl)c1ccccc1	ZINC000103215551	HJ	Annotated	Anodyne	 
COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)cc1Cl)c1ccccc1	ZINC000103215553	HJ	Annotated	Anodyne	 
CC(C)(C)n1ncc(SCc2nnc(-c3ccc(Cl)cc3)o2)c(Cl)c1=O	ZINC000103216057	HJ	Annotated	Anodyne	 
COc1cc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccc(O)c(OC)c2)ccc1O	ZINC000103216358	HJ	Annotated	Mild	 
COc1cc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccc(O)c(OC)c2)ccc1O	ZINC000103216360	HJ	Annotated	Mild	 
COc1cc(/C=C2\C(=O)c3cc(C)ccc3O[C@H]2c2ccc(O)c(OC)c2)ccc1O	ZINC000103216469	HJ	Annotated	Mild	 
COc1cc(/C=C2\C(=O)c3cc(C)ccc3O[C@@H]2c2ccc(O)c(OC)c2)ccc1O	ZINC000103216472	HJ	Annotated	Mild	 
O=C1/C(=C\c2ccc(O)c(O)c2)[C@H](c2ccc(O)c(O)c2)Oc2ccc(Cl)cc21	ZINC000103216474	HJ	Annotated	Mild	 
O=C1/C(=C\c2ccc(O)c(O)c2)[C@@H](c2ccc(O)c(O)c2)Oc2ccc(Cl)cc21	ZINC000103216476	HJ	Annotated	Mild	 
COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(O)cc1)[C@@H](c1ccc(O)cc1)O2	ZINC000103217563	HJ	Annotated	Mild	 
COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(O)cc1)[C@H](c1ccc(O)cc1)O2	ZINC000103217567	HJ	Annotated	Mild	 
CC1(C)C[C@H](OCCOc2ccc([N+](=O)[O-])cc2)[C@]23CC[C@@H](O)[C@@](C)(CC[C@@H]12)C3	ZINC000103218509	HJ	Annotated	Bother	 
O=c1cc(Oc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c2ccccc2o1	ZINC000103219503	HJ	Annotated	Anodyne	 
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OCC=C(Cl)Cl)cc1	ZINC000103219627	HJ	Annotated	Anodyne	 
Cc1ccc(C)c(C2=C(OC(=O)c3ccc(Cl)cc3)C3(CCC(=O)CC3)NC2=O)c1	ZINC000103220585	HJ	Annotated	Anodyne	 
Cc1cccc(-c2nc(SCc3ccc(OC(F)(F)F)cc3)[nH]c(=O)c2C#N)c1	ZINC000103221514	HJ	Annotated	Mild	 
CN(C)c1ccc(/C=N/n2c(-c3ccccc3)nc3cc(Cl)ccc3c2=O)cc1	ZINC000103221962	HJ	Annotated	Mild	 
Cc1ccc(C(=O)Cn2c(-c3ccccc3)c(/C=N/NC(N)=O)c3ccccc32)cc1	ZINC000103224031	HJ	Annotated	Reactive	 
Clc1cccc([C@@H]2CCN(c3nncc(-c4ccc(Br)cc4)n3)C2)c1	ZINC000103226895	HJ	Annotated	Anodyne	
Clc1cccc([C@H]2CCN(c3nncc(-c4ccc(Br)cc4)n3)C2)c1	ZINC000103226898	HJ	Annotated	Anodyne	
Cc1ccc(/C=C(C#N)/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1	ZINC000103228434	HJ	Annotated	Reactive	 
CCc1ccc(/C=C(C#N)/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1	ZINC000103228439	HJ	Annotated	Reactive	 
CCOc1cc(/C=C2\OC(=O)C(Cl)=C2Cl)ccc1OCCc1ccccn1	ZINC000103229239	HJ	Annotated	Anodyne	 
COc1ccc(-c2cn3nc(-c4ccc(N5CCCC5)c([N+](=O)[O-])c4)sc3n2)cc1	ZINC000103230632	HJ	Annotated	Bother	 
CCN(CC)c1ccc(-c2nn3cc(-c4ccc(OC)cc4)nc3s2)cc1[N+](=O)[O-]	ZINC000103230634	HJ	Annotated	Bother	 
CC(C)(C)C(=O)Nc1nnc(-c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)s1	ZINC000103231248	HJ	Annotated	Bother	 
COC12CC3C[C@@H](C1)C(Cc1nnn[nH]1)(c1ccc(-c4ccccc4)cc1)[C@@H](C3)C2	ZINC000103232194	HJ	Annotated	Anodyne	
COC12CC3C[C@@H](C1)C(Cc1nnn[nH]1)(c1ccc(-c4ccccc4)cc1)[C@H](C3)C2	ZINC000103232196	HJ	Annotated	Anodyne	
COC12CC3C[C@H](C1)C(Cc1nnn[nH]1)(c1ccc(-c4ccccc4)cc1)[C@H](C3)C2	ZINC000103232199	HJ	Annotated	Anodyne	
O=c1c2ccccc2c2nc3ccccn3c2n1Cc1ccc(OC(F)(F)F)cc1	ZINC000103232320	HJ	Annotated	Bother	 
COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000103232712	HJ	Annotated	Anodyne	 
COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000103232714	HJ	Annotated	Anodyne	 
CCCc1oc(COc2ccc(F)c(C(N)=O)c2F)nc1-c1ccc(Cl)cc1	ZINC000103234535	HJ	Annotated	Anodyne	 
C=CCc1oc(COc2ccc(F)c(C(N)=O)c2F)nc1-c1ccc(Cl)cc1	ZINC000103234539	HJ	Annotated	Mild	 
C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1)C2	ZINC000103234813	HJ	Annotated	Bother	 
C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1)C2	ZINC000103234816	HJ	Annotated	Bother	 
COc1cc(O)c(C(=O)NCCc2ccc(O)cc2)cc1C12CC3CC(CC(C3)C1)C2	ZINC000103235209	HJ	Annotated	Anodyne	 
O=C1Nc2c(Cl)cccc2[C@]12ON=C(c1ccc([N+](=O)[O-])cc1)[C@H]2c1ccccc1	ZINC000103236549	HJ	Annotated	Bother	 
COc1ccc(C2=NO[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2c2ccccc2)cc1	ZINC000103236552	HJ	Annotated	Anodyne	 
O=C1Nc2cc(Cl)ccc2[C@]12ON=C(c1ccc([N+](=O)[O-])cc1)[C@H]2c1ccccc1	ZINC000103236563	HJ	Annotated	Bother	 
COc1ccccc1C1=NO[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H]1c1ccccc1	ZINC000103236570	HJ	Annotated	Anodyne	 
O=C1Nc2cc(Br)ccc2[C@]12ON=C(c1ccccc1)[C@H]2c1ccccc1	ZINC000103236574	HJ	Annotated	Anodyne	 
CCOc1ccc2nc(N3CN(c4ccc(F)cc4)c4ncccc4C3=O)sc2c1	ZINC000103238098	HJ	Annotated	Anodyne	 
C[C@H](O)c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1	ZINC000103239761	HJ	Annotated	Bother	
C[C@@H](O)c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1	ZINC000103239763	HJ	Annotated	Bother	
O=c1[nH]ccc2c(Nc3c(Cl)cc(-c4ccn[nH]4)cc3Cl)nc3ccncc3c12	ZINC000103239767	HJ	Annotated	Bother	
C#CCOCCSc1nc2c(c(=O)n1CC=C)C(C)(C)Cc1ccc(N=[N+]=[N-])cc1-2	ZINC000103240823	HJ	Annotated	Mild	
C/C=C/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@@H](O)[C@@H](O)/C=C(C)/C=C/C=C/C(=O)N1	ZINC000103241629	HJ	Annotated	Anodyne	 
Nc1c(C(=O)N2CCSCC2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12	ZINC000103241948	HJ	Annotated	Anodyne	 
COc1ccc(Nn2c(SCC(=O)c3ccc(F)c(F)c3)nc(C)c2C)cc1	ZINC000103244275	HJ	Annotated	Anodyne	 
C=Cc1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(OC)c3ccccc23)cn1	ZINC000103245349	HJ	Annotated	Anodyne	 
NCCSC(c1ccc(Br)cc1)c1ccc(Br)cc1	ZINC000103246750	HJ	Annotated	Anodyne	 
COc1ccc2c(c1O)CCCC(CCC#N)=C2c1cc(OC)c(OC)c(OC)c1	ZINC000103247662	HJ	Annotated	Mild	 
COc1ccc(-c2nc3cc(-c4csc(C(=O)NCC(C)C)c4)cnc3[nH]2)cc1	ZINC000103248074	HJ	Annotated	Anodyne	
C=C(C(=O)OCc1cn([C@H]2C=CCCC2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1	ZINC000103248172	HJ	Annotated	Mild	 
C=C(C(=O)OCc1cn([C@@H]2C=CCCC2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1	ZINC000103248175	HJ	Annotated	Mild	 
C=C(C(=O)OCc1cn(C2CCCCC2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1	ZINC000103248179	HJ	Annotated	Mild	 
Fc1cccc2c1nc(OCC1CCN(CCC(F)(F)F)CC1)c1cccnc12	ZINC000103248562	HJ	Annotated	Bother	
CC(C)OP(=O)(OC(C)C)[C@H]1C(C#N)=C(N)Oc2ccc(Br)cc21	ZINC000103249362	HJ	Annotated	Reactive	 
CC(C)OP(=O)(OC(C)C)[C@@H]1C(C#N)=C(N)Oc2ccc(Br)cc21	ZINC000103249363	HJ	Annotated	Reactive	 
CCCCOP(=O)(OCCCC)[C@H]1C(C#N)=C(N)Oc2ccc([N+](=O)[O-])cc21	ZINC000103249377	HJ	Annotated	Reactive	 
CCCCOP(=O)(OCCCC)[C@@H]1C(C#N)=C(N)Oc2ccc([N+](=O)[O-])cc21	ZINC000103249379	HJ	Annotated	Reactive	 
Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2c[nH]c3c(C)cccc23)C(F)(F)F)c(C)c1	ZINC000103253862	HJ	Annotated	Anodyne	
Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2c[nH]c3c(C)cccc23)C(F)(F)F)c(C)c1	ZINC000103253863	HJ	Annotated	Anodyne	
O=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)[C@H]1CC[C@@H](N2CCCCC2=O)CC1	ZINC000103254453	HJ	Annotated	Anodyne	
O=C(c1ccco1)N(C(=O)c1ccco1)c1ccc(F)c(-c2nc3ncccc3o2)c1	ZINC000103259390	HJ	Annotated	Anodyne	 
O=C(NCCc1ccc2ccccc2c1)c1cc(Br)c(Br)[nH]1	ZINC000103259965	HJ	Annotated	Anodyne	 
O=C(Nc1ccc(F)c(-c2nc3ncc(Br)cc3o2)c1)c1ccco1	ZINC000103260144	HJ	Annotated	Anodyne	 
C=CCn1c(C)nc2ccc(Nc3nc(Nc4ncccn4)nc4ccccc34)cc21	ZINC000103260265	HJ	Annotated	Mild	 
CCOc1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)cc1C(F)(F)F	ZINC000103260546	HJ	Annotated	Anodyne	
N#Cc1cccc([C@H](O)CNc2cc(-c3ccc(C(F)(F)F)c(Cl)c3)ncn2)c1	ZINC000103261242	HJ	Annotated	Mild	
N#Cc1cccc([C@@H](O)CNc2cc(-c3ccc(C(F)(F)F)c(Cl)c3)ncn2)c1	ZINC000103261245	HJ	Annotated	Mild	
CNc1nc(NCCCN(C)C)c2sc(-c3ccc(C(F)(F)F)cc3)cc2n1	ZINC000103263062	HJ	Annotated	Anodyne	 
CNc1nc(NCCCN(C)C)c2sc(-c3cccc(C(F)(F)F)c3)cc2n1	ZINC000103263064	HJ	Annotated	Anodyne	 
CC(C)n1cc2c(Cl)nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)nc2n1	ZINC000103263556	HJ	Annotated	Anodyne	 
Nc1cc(N)cc(-c2ccc3c(CC(=O)O)cn(Cc4cccc(Cl)c4)c3c2)c1	ZINC000103264229	HJ	Annotated	Anodyne	 
COc1ccc(/C=C2\SC(=O)N([C@H](C(=O)C3CC3)c3ccccc3F)C2=O)cc1	ZINC000103264302	HJ	Annotated	Anodyne	 
COc1ccc(/C=C2\SC(=O)N([C@@H](C(=O)C3CC3)c3ccccc3F)C2=O)cc1	ZINC000103264307	HJ	Annotated	Anodyne	 
O=C(CCc1ccccc1)Sc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000103265435	HJ	Annotated	Clean	 
O=C1CSC(=S)N1[C@@H](Cc1ccccc1)c1nnc(-c2cccc(Cl)c2)o1	ZINC000103265673	HJ	Annotated	Clean	 
N#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)ccn(Cc3cncs3)c2=O)c1	ZINC000103265922	HJ	Annotated	Mild	 
O=C1C(=O)c2ccccc2C2=C1[C@H](c1ccccc1)c1c(-c3ccccc3)n[nH]c1N2	ZINC000103266834	HJ	Annotated	Mild	 
O=C1C(=O)c2ccccc2C2=C1[C@@H](c1ccccc1)c1c(-c3ccccc3)n[nH]c1N2	ZINC000103266837	HJ	Annotated	Mild	 
O=C1CCCC2=C1C(c1c[nH]c3ccc(Br)cc13)C1=C(CCCC1=O)N2	ZINC000103267270	HJ	Annotated	Mild	 
O=C1CCCC2=C1C(c1c[nH]c3cc(Br)ccc13)C1=C(CCCC1=O)N2	ZINC000103267279	HJ	Annotated	Mild	 
CC(C)(C)OC(=O)n1cc(-c2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)nc1N	ZINC000103267320	HJ	Annotated	Anodyne	 
CC1(C)C[C@H](Nc2cccc(Br)c2)C2=C(O1)C(=O)c1ccccc1C2=O	ZINC000103267501	HJ	Annotated	Mild	 
CC1(C)C[C@@H](Nc2cccc(Br)c2)C2=C(O1)C(=O)c1ccccc1C2=O	ZINC000103267504	HJ	Annotated	Mild	 
CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1cccc3oc(-c4ccc(Cl)cc4)nc13)C2	ZINC000103267885	HJ	Annotated	Anodyne	 
COc1cc2cc3c(nc2c(Cn2ccnc2C)c1O)-c1ccc(F)cc1SC3	ZINC000103268091	HJ	Annotated	Clean	 
Fc1ccccc1-c1nc2cnn(Cc3cc(-c4ccc(Cl)cc4)no3)cc-2n1	ZINC000103268787	HJ	Annotated	Anodyne	 
Cc1ccc(-c2cc(Cn3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)cc1	ZINC000103268809	HJ	Annotated	Anodyne	 
CC(C)=CCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OCC=C(C)C)[C@@H]23)OCO5	ZINC000103268973	HJ	Annotated	Anodyne	 
CC1(C)C[C@H](Nc2ccc(Br)cc2)C2=C(O1)C(=O)c1ccccc1C2=O	ZINC000103269117	HJ	Annotated	Mild	 
CC1(C)C[C@@H](Nc2ccc(Br)cc2)C2=C(O1)C(=O)c1ccccc1C2=O	ZINC000103269119	HJ	Annotated	Mild	 
Cc1cncc(-c2cnc3[nH]c(-c4cc(NC(=O)N5CCCC5)ccc4F)nc3c2)c1	ZINC000103270899	HJ	Annotated	Anodyne	 
O=C1c2cc(OCCCO)ccc2COc2cc(Nc3ccc(F)cc3F)ccc21	ZINC000103271960	HJ	Annotated	Anodyne	 
COc1cc2cc(C(=O)N3CCC[C@H]3C)c3cc(OC)c(OC)cc3c2cc1OC	ZINC000103272178	HJ	Annotated	Bother	 
N#Cc1c(SCc2ccccc2)nn(-c2ccccc2)c1NCCCN=C=S	ZINC000103273993	HJ	Annotated	Reactive	 
CO/N=C(/c1ccc(C#N)cc1)c1ccccc1COc1ccc(C(F)(F)F)cn1	ZINC000103274821	HJ	Annotated	Mild	 
O=C1N(c2ccccc2Cl)c2cscc2S(=O)(=O)N1Cc1ccccc1	ZINC000103274831	HJ	Annotated	Anodyne	 
Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2nnc(-c3ccccc3)o2)cc1	ZINC000103277220	HJ	Annotated	Anodyne	 
C=C1CN(C(C)(C)c2cc(Cl)cc(Cl)c2)C(=O)[C@@]1(C(=O)OC)c1ccccc1	ZINC000103277881	HJ	Annotated	Mild	 
C=C1CN(C(C)(C)c2cc(Cl)cc(Cl)c2)C(=O)[C@]1(C(=O)OC)c1ccccc1	ZINC000103277882	HJ	Annotated	Mild	 
O=C1C[C@H](C2c3ccccc3-c3ccccc32)C(=O)N1CCc1c[nH]c2ccccc12	ZINC000103278087	HJ	Annotated	Anodyne	 
O=C1C[C@@H](C2c3ccccc3-c3ccccc32)C(=O)N1CCc1c[nH]c2ccccc12	ZINC000103278091	HJ	Annotated	Anodyne	 
Cc1ccccc1COc1n[nH]c(=S)n1/N=C/c1c[nH]nc1-c1ccc(Cl)cc1	ZINC000103278592	HJ	Annotated	Mild	 
Cc1ccc(-c2nnc(-n3c(/C=C/c4ccccc4)nc4ccccc4c3=O)o2)cc1	ZINC000103278671	HJ	Annotated	Anodyne	 
COc1ccc(-c2nnc(-n3c(/C=C/c4ccccc4)nc4ccccc4c3=O)o2)cc1	ZINC000103278736	HJ	Annotated	Anodyne	 
C[C@@H](C[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1)C1CCCCC1	ZINC000103278944	HJ	Annotated	Reactive	 
C[C@H](C[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1)C1CCCCC1	ZINC000103278946	HJ	Annotated	Reactive	 
C[C@@H](C[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1)C1CCCCC1	ZINC000103278948	HJ	Annotated	Reactive	 
C[C@H](C[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1)C1CCCCC1	ZINC000103278950	HJ	Annotated	Reactive	 
Cc1ccc(COc2n[nH]c(=S)n2/N=C/c2c[nH]nc2-c2ccc(Cl)cc2)cc1	ZINC000103280122	HJ	Annotated	Mild	 
Cc1cnc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000103280254	HJ	Annotated	Bother	 
N#Cc1cnc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])c(Cl)c1	ZINC000103280428	HJ	Annotated	Mild	 
Cc1cc(=O)c(-c2nnc(Nc3ccccc3F)s2)nn1-c1ccc(Cl)cc1	ZINC000103280651	HJ	Annotated	Anodyne	 
Cc1ccc(-n2nc(-c3nnc(Nc4ccccc4F)s3)c(=O)cc2C)c(C)c1	ZINC000103280733	HJ	Annotated	Anodyne	 
Cc1cc(N2CCN(c3ccccc3F)CC2)n2c(nc3ccc(Cl)cc32)c1C#N	ZINC000103281210	HJ	Annotated	Mild	 
Cc1cc(=O)c(-c2nnc(Nc3ccccc3F)s2)nn1-c1ccccc1Cl	ZINC000103282326	HJ	Annotated	Anodyne	 
COc1ccccc1C(=O)n1cc(C)n(-c2ccc(Br)cc2)c1=S	ZINC000103283285	HJ	Annotated	Anodyne	 
N#Cc1cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1Cl	ZINC000103284037	HJ	Annotated	Mild	 
CCCCc1nc(Cl)c(C=O)n1Cc1cc(OC)c(OC)cc1Br	ZINC000103289105	HJ	Annotated	Anodyne	 
COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccco1	ZINC000103289918	HJ	Annotated	Anodyne	 
COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccco1	ZINC000103289920	HJ	Annotated	Anodyne	 
COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(NC(C)(C)C)c([N+](=O)[O-])cc3C(=O)C[C@H]21	ZINC000103290370	HJ	Annotated	Bother	 
CCCCNc1cc2c(cc1[N+](=O)[O-])C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC	ZINC000103290372	HJ	Annotated	Bother	 
C=C1CCC[C@@H]2[C@@](C)(C[C@@H](O)/C(=C/COC(C)=O)COC(C)=O)[C@H](C)CC[C@@]12C	ZINC000103291003	HJ	Annotated	Mild	
CC(=O)O[C@H]1C/C(=C/C[C@@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CCC[C@@]32CO2)[C@@H](OC(C)=O)O1	ZINC000103291006	HJ	Annotated	Anodyne	 
CC(=O)O[C@H]1C/C(=C/C[C@@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CCC[C@@]32CO2)[C@H](OC(C)=O)O1	ZINC000103291008	HJ	Annotated	Anodyne	 
CC(=O)O[C@@H]1O[C@H](OC(C)=O)C/C1=C/C[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC[C@@]21CO1	ZINC000103291010	HJ	Annotated	Anodyne	 
Cc1ccc(C)c(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3Cl)CC2)c1	ZINC000103291403	HJ	Annotated	Anodyne	 
C/C(=N\N1C(=O)[C@@H](C#N)C=C1c1ccccc1)c1cc2c(ccc3ccccc32)oc1=O	ZINC000103291495	HJ	Annotated	Mild	 
C/C(=N\N1C(=O)[C@H](C#N)C=C1c1ccccc1)c1cc2c(ccc3ccccc32)oc1=O	ZINC000103291497	HJ	Annotated	Mild	 
CN(C)CCOc1ccc2c(c1)COc1cc(Nc3ccc(F)cc3F)ccc1C2=O	ZINC000103292979	HJ	Annotated	Anodyne	 
CO[P@](=O)(O)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C)cc1	ZINC000103295162	HJ	Annotated	Anodyne	 
CO[P@](=O)(O)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C)cc1	ZINC000103295165	HJ	Annotated	Anodyne	 
O=C(Cn1c(=O)sc2cc(C(=O)c3ccccc3Cl)ccc21)Nc1ccccc1	ZINC000103296080	HJ	Annotated	Anodyne	 
CCCCCCCCCC[C@@H]1C(=O)O[C@H]1CCCCS(=O)(=O)CCCN(C)C	ZINC000103298310	HJ	Annotated	Mild	 
Cc1ccccc1[S@](=O)c1nc(-c2cnn3ccc(Br)cc23)cs1	ZINC000103299151	HJ	Annotated	Anodyne	 
Cc1ccccc1[S@@](=O)c1nc(-c2cnn3ccc(Br)cc23)cs1	ZINC000103299152	HJ	Annotated	Anodyne	 
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)cc2c1Nc1ccccc1O2	ZINC000103299677	HJ	Annotated	Bother	 
Cc1ccc(NS(=O)(=O)c2cc3c(c([N+](=O)[O-])c2)Nc2ccccc2O3)c(C)c1	ZINC000103299694	HJ	Annotated	Bother	 
O=C(CSc1nnccc1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-]	ZINC000103300202	HJ	Annotated	Bother	 
O=C(CSc1nnccc1-c1cccc2ccccc12)N1CCc2ccccc2C1	ZINC000103300213	HJ	Annotated	Anodyne	 
Fc1ccc(CCCc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1F	ZINC000103303123	HJ	Annotated	Anodyne	 
Fc1cnc(N2CCC(N(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)nc1	ZINC000103303221	HJ	Annotated	Anodyne	 
CC[C@@H]([C@@H](C)O)N1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1	ZINC000103303298	HJ	Annotated	Anodyne	 
CC[C@H]([C@@H](C)O)N1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1	ZINC000103303301	HJ	Annotated	Anodyne	 
CC[C@@H]([C@H](C)O)N1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1	ZINC000103303304	HJ	Annotated	Anodyne	 
CC[C@H]([C@H](C)O)N1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1	ZINC000103303306	HJ	Annotated	Anodyne	 
CC(C)[C@H](O)CN1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1	ZINC000103303317	HJ	Annotated	Anodyne	 
CC(C)[C@@H](O)CN1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1	ZINC000103303321	HJ	Annotated	Anodyne	 
Cn1ccc2cc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ccc21	ZINC000103303424	HJ	Annotated	Anodyne	 
Cc1noc2cc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ccc12	ZINC000103303435	HJ	Annotated	Anodyne	 
CC1(C)CC(=O)C(=CNc2cc(/N=C/C3=C(O)CC(C)(C)CC3=O)ccc2O)C(=O)C1	ZINC000103346634	HJ	Annotated	Mild	 
CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1coc2ccccc2c1=O	ZINC000103351617	HJ	Annotated	Anodyne	 
CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1coc2ccccc2c1=O	ZINC000103351620	HJ	Annotated	Anodyne	 
CCO/C(O)=C1/C(C)=Nc2nc(SCc3cccnc3)nn2[C@H]1c1ccccc1C	ZINC000103531301	HJ	Annotated	Anodyne	 
CCO/C(O)=C1/C(C)=Nc2nc(SCc3cccnc3)nn2[C@@H]1c1ccccc1C	ZINC000103531305	HJ	Annotated	Anodyne	 
CC1=Nc2ncnn2[C@H](c2ccc(OC(F)F)cc2)/C1=C(\O)OC1CCCCC1	ZINC000103531344	HJ	Annotated	Anodyne	 
CC1=Nc2ncnn2[C@@H](c2ccc(OC(F)F)cc2)/C1=C(\O)OC1CCCCC1	ZINC000103531348	HJ	Annotated	Anodyne	 
CCC[C@@H]1c2[cH-]cnc2C=C[C@H]1C(=O)CC(=O)CCc1ccc(O)c2c1CCCO2	ZINC000103531694	HJ	Annotated	Anodyne	in-vitro biogenic
COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCC(C)C)nn32)c(OC)c1	ZINC000103532248	HJ	Annotated	Anodyne	 
COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCC(C)C)nn32)c(OC)c1	ZINC000103532251	HJ	Annotated	Anodyne	 
COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCC(C)C)nn32)cc1OC	ZINC000103532256	HJ	Annotated	Anodyne	 
COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCC(C)C)nn32)cc1OC	ZINC000103532260	HJ	Annotated	Anodyne	 
CCSc1nc2n(n1)[C@H](c1ccc(Br)cc1)C1=C(O)CCCC1=N2	ZINC000103532610	HJ	Annotated	Anodyne	 
CCSc1nc2n(n1)[C@@H](c1ccc(Br)cc1)C1=C(O)CCCC1=N2	ZINC000103532614	HJ	Annotated	Anodyne	 
CCCCN(CCCn1cnc2c3ccc(OC)cc3nc-2c1O)Cc1ccccc1	ZINC000103533881	HJ	Annotated	Anodyne	 
Cc1ccc(C/N=C/C2=C(O)c3sccc3N(Cc3ccccc3)S2(=O)=O)cc1	ZINC000103537208	HJ	Annotated	Mild	 
O=S1(=O)C(/C=N/CCc2ccccc2)=C(O)c2sccc2N1Cc1ccccc1	ZINC000103537301	HJ	Annotated	Mild	 
COc1ccc(Cl)cc1-n1c(SCc2cccc(F)c2)nc2nncc-2c1O	ZINC000103538387	HJ	Annotated	Anodyne	 
CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nn32)c(OC)c1	ZINC000103538753	HJ	Annotated	Anodyne	 
CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nn32)c(OC)c1	ZINC000103538758	HJ	Annotated	Anodyne	 
COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(C(F)(F)F)nn32)cc1OC	ZINC000103539025	HJ	Annotated	Anodyne	 
COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(C(F)(F)F)nn32)cc1OC	ZINC000103539029	HJ	Annotated	Anodyne	 
C=CCO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1OC	ZINC000103539362	HJ	Annotated	Mild	 
C=CCO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(OC)cc1OC	ZINC000103539369	HJ	Annotated	Mild	 
CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)ccc1OC(F)F	ZINC000103539374	HJ	Annotated	Anodyne	 
CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)ccc1OC(F)F	ZINC000103539379	HJ	Annotated	Anodyne	 
CCOc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCCCC2)cc1OC	ZINC000103539620	HJ	Annotated	Anodyne	 
CCOc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCCCC2)cc1OC	ZINC000103539626	HJ	Annotated	Anodyne	 
CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1	ZINC000103539681	HJ	Annotated	Anodyne	 
CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1	ZINC000103539683	HJ	Annotated	Anodyne	 
CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(Br)o1	ZINC000103541452	HJ	Annotated	Mild	 
CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(Br)o1	ZINC000103541455	HJ	Annotated	Mild	 
COC(=O)C1=C(O)/C(=C\c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)N=C1C	ZINC000103541734	HJ	Annotated	Clean	 
COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(-c4cccc(O)c4)nn32)cc1	ZINC000103541880	HJ	Annotated	Anodyne	 
COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(-c4cccc(O)c4)nn32)cc1	ZINC000103541885	HJ	Annotated	Anodyne	 
C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccc(OC)c1OC	ZINC000103543307	HJ	Annotated	Mild	 
C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccc(OC)c1OC	ZINC000103543313	HJ	Annotated	Mild	 
CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1	ZINC000103543846	HJ	Annotated	Mild	 
CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1	ZINC000103543852	HJ	Annotated	Mild	 
CCCC1=C(O)C(C)(C)C(O)=C(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)C2=O)C1=O	ZINC000103547065	HJ	Annotated	Mild	in-vitro biogenic
CCC/C(C)=C/C=C(\C)C(=O)[C@H]1C(=O)C=C([C@H](C)CCC/C=N/C(=O)OC)OC1=O	ZINC000103550842	HJ	Annotated	Mild	
CC1(C)O[C@@]23CC[C@@H]1[C@H](N)[C@@H]2C#C[C@@H]1C=C[C@H](c2ccc(O)cc21)[C@@H]1CCC[C@H]3C1	ZINC000103574208	HJ	Annotated	Mild	in-vitro biogenic
CO[C@@H]1C=C(O)[C@H]2[C@@H]3[C@H]4CC[C@@]5(CC[C@H](Cc6ccccc6O)C5)[C@]3(C)[C@](C)(C4)[C@@]12O	ZINC000103575274	HJ	Annotated	Anodyne	in-vitro biogenic
CO[C@@H]1C=C(O)[C@H]2[C@@H]3C[C@H]4CC[C@]5(CC[C@@H](Cc6ccccc6O)C5)[C@]3(C)[C@@]4(C)[C@@]12O	ZINC000103575279	HJ	Annotated	Anodyne	in-vitro biogenic
CO[C@@H]1C=C(O)[C@H]2[C@@H]3[C@H]4CC[C@@]5(CC[C@]6(CCC[C@@H]6CCO)C5)[C@]3(C)[C@](C)(C4)[C@@]12O	ZINC000103575305	HJ	Annotated	Anodyne	in-vitro biogenic
CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000103624083	HJ	Annotated	Mild	 
CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc2c(c1)OCO2	ZINC000103624085	HJ	Annotated	Mild	 
CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000103624087	HJ	Annotated	Mild	 
CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc2c(c1)OCO2	ZINC000103624091	HJ	Annotated	Mild	 
COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccn2)c1	ZINC000103624290	HJ	Annotated	Anodyne	 
COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccn2)c1	ZINC000103624293	HJ	Annotated	Anodyne	 
CC1=Nc2nc(SCC(C)C)nc(O)c2[C@H](c2cccnc2)/C1=C(\O)OC(C)C	ZINC000103631261	HJ	Annotated	Anodyne	 
CC1=Nc2nc(SCC(C)C)nc(O)c2[C@@H](c2cccnc2)/C1=C(\O)OC(C)C	ZINC000103631266	HJ	Annotated	Anodyne	 
CC/N=c1\c(N/C(O)=N/c2ccc(Br)cc2F)c(O)oc2ccccc12	ZINC000103633025	HJ	Annotated	Anodyne	 
CCCN(Cc1ccc(OC)cc1)Cc1cc(O)n2nc(-c3cccc(C)c3)cc2n1	ZINC000103657105	HJ	Annotated	Anodyne	 
CCOc1ccc(CN(CC)Cc2cc(O)n3nc(-c4cccc(C)c4)cc3n2)cc1	ZINC000103657247	HJ	Annotated	Anodyne	 
COc1cc([C@@H]2/C(=C(\O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc(OC)c1O	ZINC000103657901	HJ	Annotated	Anodyne	 
COc1cc([C@H]2/C(=C(\O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc(OC)c1O	ZINC000103657905	HJ	Annotated	Anodyne	 
OC1=C2C(=Nc3nc(-c4ccco4)nn3[C@@H]2c2ccc(Br)cc2)CCC1	ZINC000103665779	HJ	Annotated	Anodyne	
OC1=C2C(=Nc3nc(-c4ccco4)nn3[C@H]2c2ccc(Br)cc2)CCC1	ZINC000103665784	HJ	Annotated	Anodyne	
CC1(C)CC2=Nc3cc4c(cc3[C@@H](c3ccc(OCC(=O)O)cc3)C2=C(O)C1)OCO4	ZINC000103667223	HJ	Annotated	Anodyne	 
CC1(C)CC2=Nc3cc4c(cc3[C@H](c3ccc(OCC(=O)O)cc3)C2=C(O)C1)OCO4	ZINC000103667228	HJ	Annotated	Anodyne	 
CCOc1ccc(NCc2cc3c(C(C)(C)C)[nH]n(-c4ccccc4)c-3nc2=O)cc1	ZINC000103702162	HJ	Annotated	Anodyne	 
CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2c(cc1Cl)OCO2	ZINC000103865931	HJ	Annotated	Mild	
CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1Cl)OCO2	ZINC000103865936	HJ	Annotated	Mild	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1	ZINC000103871917	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1	ZINC000103871920	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1	ZINC000103871926	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1	ZINC000103871929	HJ	Annotated	Anodyne	
COc1cccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cccc(C)n2)c1	ZINC000103872915	HJ	Annotated	Anodyne	
COc1cccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cccc(C)n2)c1	ZINC000103872921	HJ	Annotated	Anodyne	
COc1cccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)c1	ZINC000103873050	HJ	Annotated	Anodyne	
COc1cccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)c1	ZINC000103873056	HJ	Annotated	Anodyne	
O=C(NCCc1ccc(Cl)cc1)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1	ZINC000103898201	HJ	Annotated	Anodyne	
CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(O)c2)C2=C(O)CCCC2=N1	ZINC000103898900	HJ	Annotated	Anodyne	 
CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(O)c2)C2=C(O)CCCC2=N1	ZINC000103898904	HJ	Annotated	Anodyne	 
Cc1oc(-c2cccc(Br)c2)nc1CSc1nc2cc[nH]cc-2n1	ZINC000103901661	HJ	Annotated	Anodyne	
CCc1ccccc1-n1c(SCC(=O)c2ccc(Cl)cc2)nc2nncc-2c1O	ZINC000103904132	HJ	Annotated	Anodyne	 
CCOc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC)c(Cl)cc1OC	ZINC000103909230	HJ	Annotated	Anodyne	 
CCOc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC)c(Cl)cc1OC	ZINC000103909236	HJ	Annotated	Anodyne	 
CCOc1ccc(Nc2nc(/C=C(\C)NC3CC(C)(C)NC(C)(C)C3)ns2)cc1	ZINC000103946869	HJ	Annotated	Anodyne	 
CO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nc(O)c2[C@H]1c1ccncc1	ZINC000103947916	HJ	Annotated	Anodyne	
CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000103948192	HJ	Annotated	Anodyne	 
CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000103948200	HJ	Annotated	Anodyne	 
OC1=C2C(=Nc3nc(SCc4ccccc4F)nn3[C@@H]2c2cccnc2)CCC1	ZINC000103948811	HJ	Annotated	Anodyne	
OC1=C2C(=Nc3nc(SCc4ccccc4F)nn3[C@H]2c2cccnc2)CCC1	ZINC000103948817	HJ	Annotated	Anodyne	
CCOP(=O)(OCC)[C@@](c1cc(C)c(N)c(C)c1)(C(C#N)C#N)C(F)(F)F	ZINC000103950845	HJ	Annotated	Mild	 
CCOP(=O)(OCC)[C@](c1cc(C)c(N)c(C)c1)(C(C#N)C#N)C(F)(F)F	ZINC000103950848	HJ	Annotated	Mild	 
Cc1nn(-c2ccccc2)c(O)c1SC(F)(F)[C@@](F)(Cl)OC(F)(F)F	ZINC000103956809	HJ	Annotated	Anodyne	 
Cc1nn(-c2ccccc2)c(O)c1SC(F)(F)[C@](F)(Cl)OC(F)(F)F	ZINC000103956814	HJ	Annotated	Anodyne	 
C=CCn1c(/N=N/c2c(O)[nH]c3ccc(Br)cc23)nc2ccccc2c1=O	ZINC000103960069	HJ	Annotated	Mild	
O=C(COc1ccc(Cl)cc1)/N=N/c1c(O)[nH]c2ccc(Br)cc12	ZINC000103960859	HJ	Annotated	Clean	
O=C(COc1ccc(Br)cc1)/N=N/c1c(O)[nH]c2ccc(Cl)cc12	ZINC000103961358	HJ	Annotated	Clean	
O=C(/N=N/c1c(O)[nH]c2ccccc12)C1=NNC(c2ccccc2)(c2ccccc2)C1	ZINC000103968049	HJ	Annotated	Clean	
O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cc(O)nc2ccccc12	ZINC000103969351	HJ	Annotated	Clean	
COc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3c(C)cc(Br)cc23)cc1	ZINC000103969375	HJ	Annotated	Clean	
Cc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nc3nncc-3c2O)cc1C	ZINC000103970106	HJ	Annotated	Anodyne	 
Cc1ccc(Cl)cc1-n1c(SCc2cccc(F)c2)nc2nncc-2c1O	ZINC000103970213	HJ	Annotated	Anodyne	 
C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(OC)c(OC)c1	ZINC000103993246	HJ	Annotated	Mild	
C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000103993249	HJ	Annotated	Mild	
C=CCOC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1cc2c(cc1Cl)OCO2	ZINC000103994057	HJ	Annotated	Mild	
C=CCOC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1cc2c(cc1Cl)OCO2	ZINC000103994064	HJ	Annotated	Mild	
CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2	ZINC000103995651	HJ	Annotated	Mild	
CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000103995656	HJ	Annotated	Mild	
CCOc1ccccc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC[C@@H]1CCCO1	ZINC000103995762	HJ	Annotated	Anodyne	
CCOc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC[C@@H]1CCCO1	ZINC000103995767	HJ	Annotated	Anodyne	
CCOc1ccccc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC[C@H]1CCCO1	ZINC000103995770	HJ	Annotated	Anodyne	
CCOc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC[C@H]1CCCO1	ZINC000103995775	HJ	Annotated	Anodyne	
CSc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1	ZINC000103996392	HJ	Annotated	Anodyne	
CSc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1	ZINC000103996398	HJ	Annotated	Anodyne	
CSc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1	ZINC000103996403	HJ	Annotated	Anodyne	
CSc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1	ZINC000103996408	HJ	Annotated	Anodyne	
CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccncc2)C2=C(O)CCCC2=N1	ZINC000103996886	HJ	Annotated	Anodyne	
CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccncc2)C2=C(O)CCCC2=N1	ZINC000103996891	HJ	Annotated	Anodyne	
CC1=NC2=C(C(=O)CCC2)[C@H](c2ccc(N(C)C)cc2)/C1=C(/O)OCCOC(C)C	ZINC000103998018	HJ	Annotated	Mild	
CC1=NC2=C(C(=O)CCC2)[C@@H](c2ccc(N(C)C)cc2)/C1=C(/O)OCCOC(C)C	ZINC000103998023	HJ	Annotated	Mild	
CC1=NC2=C(C(=O)CC(C)(C)C2)[C@H](c2ccc(O)cc2)/C1=C(/O)OCCOC(C)C	ZINC000103998164	HJ	Annotated	Mild	
CC1=NC2=C(C(=O)CC(C)(C)C2)[C@@H](c2ccc(O)cc2)/C1=C(/O)OCCOC(C)C	ZINC000103998172	HJ	Annotated	Mild	
CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1	ZINC000104004039	HJ	Annotated	Anodyne	
CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1	ZINC000104004044	HJ	Annotated	Anodyne	
CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1	ZINC000104004105	HJ	Annotated	Anodyne	
CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1	ZINC000104004109	HJ	Annotated	Anodyne	
CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1	ZINC000104004172	HJ	Annotated	Anodyne	
CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1	ZINC000104004176	HJ	Annotated	Anodyne	
CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1	ZINC000104004258	HJ	Annotated	Anodyne	
CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1	ZINC000104004262	HJ	Annotated	Anodyne	
CCCOCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)cc1	ZINC000104006628	HJ	Annotated	Mild	
CCCOCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)cc1	ZINC000104006633	HJ	Annotated	Mild	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2F)C2=C(O)CC(C)(C)CC2=N1	ZINC000104007821	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2F)C2=C(O)CC(C)(C)CC2=N1	ZINC000104007826	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2F)C2=C(O)CC(C)(C)CC2=N1	ZINC000104007830	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2F)C2=C(O)CC(C)(C)CC2=N1	ZINC000104007832	HJ	Annotated	Anodyne	
CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(N(C)C)cc1	ZINC000104007974	HJ	Annotated	Mild	
CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(C)C)cc1	ZINC000104007978	HJ	Annotated	Mild	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(O)c2)C2=C(O)CC(C)(C)CC2=N1	ZINC000104008120	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(O)c2)C2=C(O)CC(C)(C)CC2=N1	ZINC000104008125	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccc(O)c2)C2=C(O)CC(C)(C)CC2=N1	ZINC000104008130	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccc(O)c2)C2=C(O)CC(C)(C)CC2=N1	ZINC000104008136	HJ	Annotated	Anodyne	
C=CCOc1ccc([C@H]2C3=C(N=C(C)/C2=C(/O)OC)c2ccccc2C3=O)cc1OC	ZINC000104019484	HJ	Annotated	Mild	
C=CCOc1ccc([C@@H]2C3=C(N=C(C)/C2=C(/O)OC)c2ccccc2C3=O)cc1OC	ZINC000104019488	HJ	Annotated	Mild	
CC1(C)CC2=Nc3nc(O)nc(O)c3[C@@H](c3ccc(Br)cc3)C2=C(O)C1	ZINC000104025221	HJ	Annotated	Anodyne	
CC1(C)CC2=Nc3nc(O)nc(O)c3[C@H](c3ccc(Br)cc3)C2=C(O)C1	ZINC000104025227	HJ	Annotated	Anodyne	
CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(OCc2ccc(C)cc2)cc1	ZINC000104026518	HJ	Annotated	Anodyne	
CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1	ZINC000104026522	HJ	Annotated	Anodyne	
CC1=Nc2ncnn2[C@H](c2ccc(OCc3ccccc3)cc2)/C1=C(\O)OC(C)C	ZINC000104032609	HJ	Annotated	Anodyne	
CC1=Nc2ncnn2[C@@H](c2ccc(OCc3ccccc3)cc2)/C1=C(\O)OC(C)C	ZINC000104032616	HJ	Annotated	Anodyne	
CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1	ZINC000104032979	HJ	Annotated	Mild	
CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1	ZINC000104032984	HJ	Annotated	Mild	
COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc(Cl)c1O	ZINC000104033068	HJ	Annotated	Anodyne	
COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc(Cl)c1O	ZINC000104033073	HJ	Annotated	Anodyne	
CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1coc2ccc(Cl)cc2c1=O	ZINC000104033273	HJ	Annotated	Mild	
CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1coc2ccc(Cl)cc2c1=O	ZINC000104033280	HJ	Annotated	Mild	
COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(-c4ccccc4)nn32)cc1OC	ZINC000104036490	HJ	Annotated	Anodyne	
COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(-c4ccccc4)nn32)cc1OC	ZINC000104036497	HJ	Annotated	Anodyne	
COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=Nc3nc(-c4ccccc4)nn32)c1	ZINC000104036519	HJ	Annotated	Anodyne	
COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=Nc3nc(-c4ccccc4)nn32)c1	ZINC000104036523	HJ	Annotated	Anodyne	
CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cc(OC)ccc1OC	ZINC000104038901	HJ	Annotated	Anodyne	
CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cc(OC)ccc1OC	ZINC000104038907	HJ	Annotated	Anodyne	
CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000104038964	HJ	Annotated	Bother	
CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000104038970	HJ	Annotated	Bother	
CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1coc2ccc(C)cc2c1=O	ZINC000104046022	HJ	Annotated	Mild	
CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1coc2ccc(C)cc2c1=O	ZINC000104046029	HJ	Annotated	Mild	
NC(=O)c1sc2c(c1N)[C@H](c1ccc(Cl)cc1)C1=C(O)c3ccccc3C1=N2	ZINC000104046375	HJ	Annotated	Anodyne	
NC(=O)c1sc2c(c1N)[C@@H](c1ccc(Cl)cc1)C1=C(O)c3ccccc3C1=N2	ZINC000104046382	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCC/N=C1\C=C(O)OC12CCCCC2	ZINC000104050039	HJ	Annotated	Mild	
C[C@H](Oc1ccc(Br)cc1)c1nc2c3ccccc3nc(=S)n2[nH]1	ZINC000104053100	HJ	Annotated	Anodyne	 
C[C@@H](Oc1ccc(Br)cc1)c1nc2c3ccccc3nc(=S)n2[nH]1	ZINC000104053104	HJ	Annotated	Anodyne	 
CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccc(Br)c1	ZINC000104056470	HJ	Annotated	Anodyne	
CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccc(Br)c1	ZINC000104056477	HJ	Annotated	Anodyne	
CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(N(C)C)cc1	ZINC000104056596	HJ	Annotated	Anodyne	
CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(N(C)C)cc1	ZINC000104056601	HJ	Annotated	Anodyne	
OC1=C2C(=Nc3nc(SCc4ccccc4F)nn3[C@@H]2c2ccncc2)CCC1	ZINC000104056619	HJ	Annotated	Anodyne	
OC1=C2C(=Nc3nc(SCc4ccccc4F)nn3[C@H]2c2ccncc2)CCC1	ZINC000104056626	HJ	Annotated	Anodyne	
CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(Br)cc1	ZINC000104059914	HJ	Annotated	Anodyne	
CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(Br)cc1	ZINC000104059919	HJ	Annotated	Anodyne	
CC1=Nc2ncnn2[C@H](c2cccc(Br)c2)/C1=C(\O)OC1CCCCC1	ZINC000104060230	HJ	Annotated	Anodyne	
CC1=Nc2ncnn2[C@@H](c2cccc(Br)c2)/C1=C(\O)OC1CCCCC1	ZINC000104060234	HJ	Annotated	Anodyne	
CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1	ZINC000104070570	HJ	Annotated	Mild	
CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1	ZINC000104070575	HJ	Annotated	Mild	
COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc1OC	ZINC000104070911	HJ	Annotated	Anodyne	
COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc1OC	ZINC000104070915	HJ	Annotated	Anodyne	
C=CCOC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1cc(Cl)c(O)c(OC)c1	ZINC000104072533	HJ	Annotated	Mild	
C=CCOC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1cc(Cl)c(O)c(OC)c1	ZINC000104072536	HJ	Annotated	Mild	
COC(=O)c1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc1	ZINC000104074183	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc1	ZINC000104074189	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2Cl)C2=C(O)CCCC2=N1	ZINC000104075514	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2Cl)C2=C(O)CCCC2=N1	ZINC000104075520	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2Cl)C2=C(O)CCCC2=N1	ZINC000104075525	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2Cl)C2=C(O)CCCC2=N1	ZINC000104075530	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1	ZINC000104075828	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1	ZINC000104075831	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1	ZINC000104075834	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1	ZINC000104075837	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1	ZINC000104075992	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1	ZINC000104075994	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1	ZINC000104075999	HJ	Annotated	Anodyne	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1	ZINC000104076001	HJ	Annotated	Anodyne	
CCOCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(SC)cc1	ZINC000104080751	HJ	Annotated	Mild	
CCOCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(SC)cc1	ZINC000104080754	HJ	Annotated	Mild	
CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(O)c(OC)c1	ZINC000104093051	HJ	Annotated	Mild	
CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c(O)c(OC)c1	ZINC000104093057	HJ	Annotated	Mild	
Cc1ccc([C@@H]2C3=C(Nc4[nH]n(-c5ccccc5)c(=O)c42)c2ccccc2C3=O)cc1	ZINC000104102292	HJ	Annotated	Mild	 
Cc1ccc([C@H]2C3=C(Nc4[nH]n(-c5ccccc5)c(=O)c42)c2ccccc2C3=O)cc1	ZINC000104102297	HJ	Annotated	Mild	 
CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c(OC)c1	ZINC000104104307	HJ	Annotated	Mild	
CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000104104314	HJ	Annotated	Mild	
CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(O)c1	ZINC000104104617	HJ	Annotated	Mild	
CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(O)c1	ZINC000104104623	HJ	Annotated	Mild	
CC1=NC2=C(C(=O)CC(C)(C)C2)[C@H](c2cccc(O)c2)/C1=C(\O)OCCOC(C)C	ZINC000104105583	HJ	Annotated	Mild	
CC1=NC2=C(C(=O)CC(C)(C)C2)[C@@H](c2cccc(O)c2)/C1=C(\O)OCCOC(C)C	ZINC000104105587	HJ	Annotated	Mild	
Cc1cccc([C@@H]2C3=C(Nc4[nH]n(-c5ccccc5)c(=O)c42)c2ccccc2C3=O)c1	ZINC000104109325	HJ	Annotated	Mild	 
Cc1cccc([C@H]2C3=C(Nc4[nH]n(-c5ccccc5)c(=O)c42)c2ccccc2C3=O)c1	ZINC000104109330	HJ	Annotated	Mild	 
CO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nc(O)c2[C@@H]1c1cccnc1	ZINC000104111132	HJ	Annotated	Anodyne	
CC1=Nc2ncnn2[C@H](c2ccc(Br)cc2)/C1=C(\O)OC1CCCCC1	ZINC000104115869	HJ	Annotated	Anodyne	
CC1=Nc2ncnn2[C@@H](c2ccc(Br)cc2)/C1=C(\O)OC1CCCCC1	ZINC000104115875	HJ	Annotated	Anodyne	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCN1C(=O)c2ccccc2Sc2ncccc21	ZINC000104141580	HJ	Annotated	Anodyne	 
C[C@@H]1[C@@H](NC(=O)CCN2C(=O)c3ccccc3Sc3ncccc32)CCC[C@H]1C	ZINC000104141586	HJ	Annotated	Anodyne	 
Cc1ccccc1[C@@H]1C2=C(Nc3[nH]n(-c4ccccc4)c(=O)c31)c1ccccc1C2=O	ZINC000104142244	HJ	Annotated	Mild	 
Cc1ccccc1[C@H]1C2=C(Nc3[nH]n(-c4ccccc4)c(=O)c31)c1ccccc1C2=O	ZINC000104142248	HJ	Annotated	Mild	 
COc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1cccc(C)n1	ZINC000104689704	HJ	Annotated	Anodyne	
COc1ccccc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1cccc(C)n1	ZINC000104689709	HJ	Annotated	Anodyne	
Oc1c(/C=N/Cc2cccnc2)c(-c2ccccc2)nn1-c1nc2ccccc2s1	ZINC000104690673	HJ	Annotated	Mild	
CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1	ZINC000104691884	HJ	Annotated	Anodyne	
CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1	ZINC000104691891	HJ	Annotated	Anodyne	
CCN(CC)C(=O)c1ccc(/N=C/c2c(C)nn(-c3ccc(C)c(C)c3)c2O)cc1	ZINC000104694700	HJ	Annotated	Mild	
CCOc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccn2)cc1	ZINC000104695280	HJ	Annotated	Anodyne	
CCOc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccn2)cc1	ZINC000104695284	HJ	Annotated	Anodyne	
COc1cc(-n2nc(C)c(/C=N/c3ccc(Cl)c(C(=O)O)c3)c2O)ccc1Cl	ZINC000104695375	HJ	Annotated	Mild	
CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccccn2)C2=C(O)CC(C)(C)CC2=N1	ZINC000104700328	HJ	Annotated	Anodyne	
CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccccn2)C2=C(O)CC(C)(C)CC2=N1	ZINC000104700334	HJ	Annotated	Anodyne	
CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1	ZINC000104700494	HJ	Annotated	Anodyne	
CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1	ZINC000104700498	HJ	Annotated	Anodyne	
COc1ccc(Oc2nc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N3CCCC3)n2)cc1	ZINC000104928880	HJ	Annotated	Anodyne	
COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N3CCCC3)n2)cc1	ZINC000104928884	HJ	Annotated	Anodyne	
C=CCN(C)c1nc(NC[C@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1	ZINC000104929759	HJ	Annotated	Mild	
C=CCN(C)c1nc(NC[C@@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1	ZINC000104929763	HJ	Annotated	Mild	
O=[N+]([O-])c1cccc(CSc2nnc(SCc3cccc([N+](=O)[O-])c3)s2)c1	ZINC000010798673	HJ	Annotated	Bother	 
Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1	ZINC000105173399	HJ	Annotated	Anodyne	
Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1	ZINC000105173404	HJ	Annotated	Anodyne	
CCN(C)c1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1	ZINC000105173583	HJ	Annotated	Anodyne	
CCN(C)c1ncc(C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1	ZINC000105173588	HJ	Annotated	Anodyne	
C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C	ZINC000105178092	HJ	Annotated	Anodyne	
C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C	ZINC000105178097	HJ	Annotated	Anodyne	
C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C	ZINC000105178374	HJ	Annotated	Anodyne	
C[C@@H]1[C@@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C	ZINC000105178379	HJ	Annotated	Anodyne	
CCN(C)C(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1	ZINC000105185233	HJ	Annotated	Mild	
CCN(C)C(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1	ZINC000105185239	HJ	Annotated	Mild	
C[C@H]1[C@@H](NC(=O)c2cnc(NCC3CC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C	ZINC000105185613	HJ	Annotated	Anodyne	
C[C@@H]1[C@@H](NC(=O)c2cnc(NCC3CC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C	ZINC000105185617	HJ	Annotated	Anodyne	
CC1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccccc2F)CC1	ZINC000105186029	HJ	Annotated	Anodyne	
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H]1O[C@H]2[C@@H](C)[C@@H]1C	ZINC000105415238	HJ	Annotated	Anodyne	
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H]1O[C@H]2[C@H](C)[C@@H]1C	ZINC000105415240	HJ	Annotated	Anodyne	 
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H]1O[C@@H]2[C@H](C)[C@@H]1C	ZINC000105415241	HJ	Annotated	Anodyne	
c1ccc(COC[C@@H]2O[C@@H]3c4ccccc4CO[C@H]3[C@H]2OCc2ccccc2)cc1	ZINC000105480993	HJ	Annotated	Anodyne	 
C=CC/C=C\Cc1csc(C(C)(C)[C@@H](O)C/C=C/C(=C)CCNC(=O)OC)n1	ZINC000105503290	HJ	Annotated	Mild	
COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2CCCC[C@H]23)cc1	ZINC000105505915	HJ	Annotated	Anodyne	
O=C1C(=O)N(CCc2ccccc2)[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)c1cccs1	ZINC000109643872	HJ	Annotated	Anodyne	
O=C1C(=O)N(CCc2ccccc2)[C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)c1cccs1	ZINC000109643874	HJ	Annotated	Anodyne	
O=C1C(=O)N(CCc2ccccc2)[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)c1cccs1	ZINC000109643877	HJ	Annotated	Anodyne	
O=C1C(=O)N(CCc2ccccc2)[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)c1cccs1	ZINC000109643881	HJ	Annotated	Anodyne	
Cc1cccc(N2C(=O)C(=O)[C@@H](C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)n1	ZINC000110786048	HJ	Annotated	Anodyne	
Cc1cccc(N2C(=O)C(=O)[C@H](C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)n1	ZINC000110786052	HJ	Annotated	Anodyne	
Cc1nc2sc3c(c2c(-c2cnn(C)c2)c1[C@@H](OC(C)(C)C)C(=O)O)CCCC3	ZINC000113123820	HJ	Annotated	Anodyne	
Cc1nc2sc3c(c2c(-c2cnn(C)c2)c1[C@H](OC(C)(C)C)C(=O)O)CCCC3	ZINC000113123823	HJ	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1	ZINC000113654982	HJ	Annotated	Anodyne	 
NC(=O)c1cc(Cl)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1	ZINC000113655468	HJ	Annotated	Anodyne	 
NC(=O)/C=C/c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1	ZINC000113656534	HJ	Annotated	Anodyne	 
Cc1c(C(N)=O)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1C	ZINC000113656585	HJ	Annotated	Anodyne	 
NC(=O)/C=C/c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1	ZINC000113656885	HJ	Annotated	Anodyne	 
CCNC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1	ZINC000113656921	HJ	Annotated	Anodyne	 
CCNC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1	ZINC000113657057	HJ	Annotated	Anodyne	 
CNC(=O)Nc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1	ZINC000113657216	HJ	Annotated	Anodyne	 
CNC(=O)Nc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1	ZINC000113660852	HJ	Annotated	Anodyne	 
CC(C)(C)c1cc(C(F)(F)F)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O	ZINC000113735273	HJ	Annotated	Anodyne	 
NC1(c2ccc(-c3nn4c(-c5cn[nH]c5)cnc4cc3-c3ccccc3)cc2)CCC1	ZINC000114037769	HJ	Annotated	Anodyne	 
Nc1ncc(-c2cnc3sc(-c4ccc5[nH]ccc5c4)nn23)cc1C(F)(F)F	ZINC000114041304	HJ	Annotated	Anodyne	
CCc1ccc([C@@H]2C[C@H](C(=O)Nc3ccccc3)CN(C(=O)C(C)(C)CF)C2)cc1	ZINC000114340056	HJ	Annotated	Anodyne	 
CCc1ccc([C@H]2C[C@H](C(=O)Nc3ccccc3)CN(C(=O)C(C)(C)CF)C2)cc1	ZINC000114340058	HJ	Annotated	Anodyne	 
CCc1ccc([C@@H]2C[C@@H](C(=O)Nc3ccccc3)CN(C(=O)C(C)(C)CF)C2)cc1	ZINC000114340060	HJ	Annotated	Anodyne	 
CCc1ccc([C@H]2C[C@@H](C(=O)Nc3ccccc3)CN(C(=O)C(C)(C)CF)C2)cc1	ZINC000114340061	HJ	Annotated	Anodyne	 
Nc1cnc(-c2ccc3c(c2)CN2CCC3(c3ccc(Cl)c(Cl)c3)CC2)cn1	ZINC000114346600	HJ	Annotated	Anodyne	 
FC(F)Oc1ccc(-c2ccc3c(c2)CN2CC[C@@]3(c3ccc(Cl)cc3)C2)nn1	ZINC000114347788	HJ	Annotated	Anodyne	 
Fc1ccc([C@@]23CCN(Cc4cc(-c5ccc6ncnn6c5)ccc42)C3)cc1Cl	ZINC000114348368	HJ	Annotated	Anodyne	 
O=C1N[C@@H]2C=CC(c3ccc4c(c3)CN3CCC4(c4ccc(Cl)cc4)CC3)=C[C@@H]2O1	ZINC000114351815	HJ	Annotated	Anodyne	 
O=C1N[C@@H]2C=CC(c3ccc4c(c3)CN3CCC4(c4ccc(Cl)cc4)CC3)=C[C@H]2O1	ZINC000114351818	HJ	Annotated	Anodyne	 
O=C1N[C@H]2C=CC(c3ccc4c(c3)CN3CCC4(c4ccc(Cl)cc4)CC3)=C[C@@H]2O1	ZINC000114351820	HJ	Annotated	Anodyne	 
O=C1N[C@H]2C=CC(c3ccc4c(c3)CN3CCC4(c4ccc(Cl)cc4)CC3)=C[C@H]2O1	ZINC000114351822	HJ	Annotated	Anodyne	 
Cc1cc(Nc2nccc3nc(-c4c(Cl)cc(CO)cc4Cl)sc23)ncn1	ZINC000114601658	HJ	Annotated	Anodyne	
CC(=O)c1ccc(Oc2ccc(-c3cccc([C@@H](O)CO)n3)cc2)c(C(F)(F)F)c1	ZINC000114627568	HJ	Annotated	Anodyne	 
CC(=O)c1ccc(Oc2ccc(-c3cccc([C@H](O)CO)n3)cc2)c(C(F)(F)F)c1	ZINC000114627569	HJ	Annotated	Anodyne	 
Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CCNCC4)cc3)cc12	ZINC000114711362	HJ	Annotated	Anodyne	
CCNC(=O)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1	ZINC000114711425	HJ	Annotated	Anodyne	
Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)cc12	ZINC000114713547	HJ	Annotated	Anodyne	
COCc1c(F)c(F)c(COC(=O)[C@@H]2[C@@H](/C=C\C(F)(F)F)C2(C)C)c(F)c1F	ZINC000114741042	HJ	Annotated	Anodyne	in-vitro
COCc1c(F)c(F)c(COC(=O)[C@@H]2[C@H](/C=C\C(F)(F)F)C2(C)C)c(F)c1F	ZINC000114741045	HJ	Annotated	Anodyne	in-vitro
COCc1c(F)c(F)c(COC(=O)[C@H]2[C@@H](/C=C\C(F)(F)F)C2(C)C)c(F)c1F	ZINC000114741980	HJ	Annotated	Anodyne	in-vitro
COCc1c(F)c(F)c(COC(=O)[C@H]2[C@H](/C=C\C(F)(F)F)C2(C)C)c(F)c1F	ZINC000114742463	HJ	Annotated	Anodyne	in-vitro
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C=CCCCCC2)c1=O	ZINC000114764293	HJ	Annotated	Anodyne	
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C=CCCCCC2)c1=O	ZINC000114764295	HJ	Annotated	Anodyne	
Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccccn3)nc(Cl)c2C)s1	ZINC000114805543	HJ	Annotated	Anodyne	
Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)cc2)cn1	ZINC000114921875	HJ	Annotated	Anodyne	 
C[C@@H](Nc1ncnc2c1CN(c1ccc(Cl)cn1)CC2)c1ccc(Cl)cc1	ZINC000114995758	HJ	Annotated	Anodyne	
Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccc(Br)cc4)c3C2)nc1	ZINC000114997483	HJ	Annotated	Anodyne	
Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4ccc(Br)cc4)c3C2)nc1	ZINC000114997485	HJ	Annotated	Anodyne	
Cc1ccc(N2CCc3ncnc(N[C@H](C)c4cccc(C(F)(F)F)c4)c3C2)nc1	ZINC000114997860	HJ	Annotated	Anodyne	
Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4cccc(C(F)(F)F)c4)c3C2)nc1	ZINC000114997861	HJ	Annotated	Anodyne	
Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccc(C(F)(F)F)cc4)c3C2)nc1	ZINC000114998583	HJ	Annotated	Anodyne	
Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4ccc(C(F)(F)F)cc4)c3C2)nc1	ZINC000114998585	HJ	Annotated	Anodyne	
O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1ccc(Br)s1	ZINC000011634862	HJ	Annotated	Anodyne	 
CCn1ccnc1CN(C)Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1	ZINC000011663136	HJ	Annotated	Anodyne	 
C#Cc1cccc(C(=O)N(Cc2cccnc2)C[C@@H]2CCCN(C3CCCCC3)C2)c1	ZINC000011667488	HJ	Annotated	Mild	 
C#Cc1cccc(C(=O)N(Cc2cccnc2)C[C@H]2CCCN(C3CCCCC3)C2)c1	ZINC000011667492	HJ	Annotated	Mild	 
Cc1nc2cnccc2n1CCCO[C@H]1CC[C@@H](c2ccc(Br)cc2)O1	ZINC000011687521	HJ	Annotated	Anodyne	
Cc1nc2cnccc2n1CCCO[C@@H]1CC[C@H](c2ccc(Br)cc2)O1	ZINC000011687522	HJ	Annotated	Anodyne	
Cc1nc2cnccc2n1CCCO[C@H]1CC[C@H](c2ccc(Br)cc2)O1	ZINC000011687523	HJ	Annotated	Anodyne	
O[C@@H](CCN1CCN(c2cccc3cccnc23)CC1)c1csc2ccc(F)cc12	ZINC000011689109	HJ	Annotated	Anodyne	
C[C@@H](Cc1ccc(Cl)cc1)N1CCC(n2nccc2NC(=O)C2CCCC2)CC1	ZINC000011753752	HJ	Annotated	Anodyne	 
C[C@H](Cc1ccc(Cl)cc1)N1CCC(n2nccc2NC(=O)C2CCCC2)CC1	ZINC000011753753	HJ	Annotated	Anodyne	 
OCC1(CCOc2ccccc2)CCN(CC2=Cc3cc(Cl)ccc3OC2)CC1	ZINC000011817461	HJ	Annotated	Anodyne	 
O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C/C=C/c2ccccc2)CC1	ZINC000011932735	HJ	Annotated	Anodyne	 
CCc1ccc(CN(C)C(=O)c2cc(COc3cc(C)c(Cl)c(C)c3)on2)nc1	ZINC000011938508	HJ	Annotated	Anodyne	 
Cc1cccc(-c2ncc(CN3CCC[C@@](CO)(Cc4ccccc4C)C3)cn2)c1	ZINC000011957709	HJ	Annotated	Anodyne	 
Cc1cccc(-c2ncc(CN3CCC[C@](CO)(Cc4ccccc4C)C3)cn2)c1	ZINC000011957715	HJ	Annotated	Anodyne	 
C/C(=C\c1ccco1)CN1CCOc2ccc([C@@](C)(O)COc3ccccc3)cc2C1	ZINC000011980524	HJ	Annotated	Anodyne	 
C/C(=C\c1ccco1)CN1CCOc2ccc([C@](C)(O)COc3ccccc3)cc2C1	ZINC000011980528	HJ	Annotated	Anodyne	 
O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c3c([nH]c2c1)CCNCC3	ZINC000115013320	HJ	Annotated	Anodyne	
COc1ccc2cc(-c3nc(-c4ccc(C(=O)O)cc4)cc4[nH]nc(N)c34)ccc2c1	ZINC000115373693	HJ	Annotated	Anodyne	 
N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1	ZINC000115455074	HJ	Annotated	Anodyne	
Cc1cnc(N[C@@H]2CC[C@@H](N)CC2)cc1-c1cccc(NCc2cccc(F)c2)n1	ZINC000115456120	HJ	Annotated	Anodyne	
N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(F)cn2)CC1	ZINC000115456455	HJ	Annotated	Anodyne	
O[C@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1	ZINC000115457193	HJ	Annotated	Anodyne	
CCOC(=O)[C@@](C)(Cc1cccnc1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12	ZINC000115651264	HJ	Annotated	Anodyne	
CCOC(=O)[C@](C)(Cc1cccnc1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12	ZINC000115651267	HJ	Annotated	Anodyne	
CCOC(=O)[C@@](C)(Cc1ccccc1)c1ccnc2c(-c3ccc(Cl)nc3)cnn12	ZINC000115652497	HJ	Annotated	Anodyne	
CCOC(=O)[C@](C)(Cc1ccccc1)c1ccnc2c(-c3ccc(Cl)nc3)cnn12	ZINC000115652498	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](Cc1ccccc1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12	ZINC000115654691	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](Cc1ccccc1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12	ZINC000115654694	HJ	Annotated	Anodyne	
O=C1CC(=O)N([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c2ccccc2N1	ZINC000115712500	HJ	Annotated	Anodyne	
Cc1ccoc1C(=O)Nc1cc(Oc2ccnc(-c3cc(C(=O)O)c[nH]3)c2)ccc1F	ZINC000116233831	HJ	Annotated	Anodyne	
O=C(Nc1c(F)cccc1F)c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1	ZINC000116814763	HJ	Annotated	Anodyne	
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)c1ccc2nccnc2c1	ZINC000116815134	HJ	Annotated	Anodyne	 
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1cccc(F)c1F	ZINC000116815283	HJ	Annotated	Anodyne	
Cc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1	ZINC000116815640	HJ	Annotated	Anodyne	
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1)c1ccncc1F	ZINC000116820280	HJ	Annotated	Anodyne	
O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3nc4ccccc4o3)C[C@@H]2C1	ZINC000116822805	HJ	Annotated	Anodyne	
O=C(c1ccccc1-c1cccs1)N1C[C@H]2CN(c3nc4ccccc4o3)C[C@@H]2C1	ZINC000116822807	HJ	Annotated	Anodyne	
O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3nc4ccccc4o3)C[C@H]2C1	ZINC000116822809	HJ	Annotated	Anodyne	
O=C(c1ccccc1-c1ccccc1)N1C[C@@H]2CN(c3nc4ccccc4o3)C[C@@H]2C1	ZINC000116822820	HJ	Annotated	Anodyne	
O=C(c1ccccc1-c1ccccc1)N1C[C@H]2CN(c3nc4ccccc4o3)C[C@@H]2C1	ZINC000116822823	HJ	Annotated	Anodyne	
O=C(c1ccccc1-c1ccccc1)N1C[C@@H]2CN(c3nc4ccccc4o3)C[C@H]2C1	ZINC000116822825	HJ	Annotated	Anodyne	
Cc1cc(-c2cnn(CCCC(=O)O)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2	ZINC000116911593	HJ	Annotated	Anodyne	
Cc1cc(-c2cnn(CCCC(=O)O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2	ZINC000116911595	HJ	Annotated	Anodyne	
CC(C)(C)Cn1cc(-c2cc(CO)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1	ZINC000116936959	HJ	Annotated	Anodyne	
CC(C)(C)Cn1cc(-c2cc(CO)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1	ZINC000116936961	HJ	Annotated	Anodyne	
Cc1cc(NC[C@@H]2CC[C@@H](NC(=O)c3cc(Cl)cnc3C)CC2)ncc1Cl	ZINC000117301817	HJ	Annotated	Anodyne	
Cc1nc(NC[C@@H]2CC[C@@H](NC(=O)c3cc(Cl)cnc3Cl)CC2)sc1C	ZINC000117306089	HJ	Annotated	Anodyne	
Cc1cccc(-c2noc(NC(=O)Cc3ccccc3Cl)c2-c2ccncn2)c1	ZINC000117399874	HJ	Annotated	Anodyne	 
Cc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)F)cc1	ZINC000117411810	HJ	Annotated	Anodyne	
Cc1ncncc1NC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1	ZINC000117417364	HJ	Annotated	Anodyne	
Cc1ccc(C)c(CC(=O)Nc2onc(-c3ccc(F)cc3)c2-c2ccncn2)c1	ZINC000117423010	HJ	Annotated	Anodyne	 
Cc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)c(Cl)c2C2CC2)c(F)c1	ZINC000117425358	HJ	Annotated	Anodyne	
O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cc(C#Cc4ccccc4)ccc3C[C@@H]21	ZINC000117630375	HJ	Annotated	Mild	
CCCSc1nc(OC2CCC(C(=O)O)CC2)ccc1C(=O)NC1CCCCC1	ZINC000117687889	HJ	Annotated	Anodyne	
CCc1cccc(Cn2nc(CC)c3c(NC(=O)c4cnc5ccccn45)cccc32)n1	ZINC000117880586	HJ	Annotated	Anodyne	
Cc1nc2ccc(Cl)cc2c(N2CCOc3ccc(N4CCOCC4)cc32)c1C	ZINC000118097907	HJ	Annotated	Clean	
CN1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc21	ZINC000118320401	HJ	Annotated	Anodyne	 
CC[C@@H](Nc1cc(CN2CC(C(=O)O)C2)c(Cl)cn1)c1ccc(Cl)c(C)c1	ZINC000118513484	HJ	Annotated	Anodyne	
Nc1nc(-c2ccc(C(F)F)o2)nc2sc(CN3CCCC(F)(F)C3)cc12	ZINC000118605919	HJ	Annotated	Anodyne	 
CC(C)(C)C(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4C[C@H](F)C(=O)[C@@]4(C)CC[C@@H]32)C1	ZINC000118917905	HJ	Annotated	Mild	
CS[C@H]1CC(=O)C=C2[C@H]3C[C@H]3[C@H]3[C@@H]4[C@@H]5C[C@@H]5[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C	ZINC000118922528	HJ	Annotated	Mild	
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2[S@](=O)Cc1ccccc1	ZINC000118922701	HJ	Annotated	Mild	
C[C@]12C=CC(=O)C(OC(=O)c3ccccc3)=C1C=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12	ZINC000118922734	HJ	Annotated	Mild	
C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=C(Cl)C(=O)CC[C@@]13C	ZINC000118934053	HJ	Annotated	Mild	
C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@@H]1C1=C(Cl)C(=O)CC[C@@]13C	ZINC000118934054	HJ	Annotated	Mild	
C[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@H]4C4=C(Cl)C(=O)CC[C@@]43C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1	ZINC000118934055	HJ	Annotated	Mild	
C[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@@H]4C4=C(Cl)C(=O)CC[C@@]43C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1	ZINC000118934056	HJ	Annotated	Mild	
CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)c2csc(C)n2)C3)c1	ZINC000012022496	HJ	Annotated	Anodyne	 
CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)c2csc(C)n2)C3)c1	ZINC000012022499	HJ	Annotated	Anodyne	 
O=C1CC[C@@](CCC(=O)N2CC[C@@H]3CCCC[C@H]3C2)(Cc2cccc3ccccc23)N1	ZINC000012041994	HJ	Annotated	Anodyne	 
O=C1CC[C@](CCC(=O)N2CC[C@@H]3CCCC[C@H]3C2)(Cc2cccc3ccccc23)N1	ZINC000012041997	HJ	Annotated	Anodyne	 
COc1cc(Cl)ccc1OCc1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)no1	ZINC000012073162	HJ	Annotated	Anodyne	 
C[C@@H](NC(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1)c1nccs1	ZINC000012092156	HJ	Annotated	Anodyne	 
C[C@H](NC(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1)c1nccs1	ZINC000012092160	HJ	Annotated	Anodyne	 
Cc1ccc(C(=O)Nc2ccc(N3CCC(NCc4cc(C)no4)CC3)cc2)c(C)c1	ZINC000012149805	HJ	Annotated	Anodyne	 
O=C(CC[C@@]1(Cc2ccsc2)CCC(=O)N1)NC1c2ccccc2-c2ccccc21	ZINC000012190616	HJ	Annotated	Anodyne	 
O=C(CC[C@]1(Cc2ccsc2)CCC(=O)N1)NC1c2ccccc2-c2ccccc21	ZINC000012190617	HJ	Annotated	Anodyne	 
CSc1ccccc1OCc1cc(C(=O)N2CCc3c(Cl)cccc3C2)no1	ZINC000012193312	HJ	Annotated	Anodyne	 
Cc1ccc2nc(C)cc(C(=O)N3CCC[C@@](CO)(Cc4ccccc4C)C3)c2c1	ZINC000012194737	HJ	Annotated	Anodyne	 
Cc1ccc2nc(C)cc(C(=O)N3CCC[C@](CO)(Cc4ccccc4C)C3)c2c1	ZINC000012194745	HJ	Annotated	Anodyne	 
CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)Nc2ccccc2SC)CC1	ZINC000012205677	HJ	Annotated	Anodyne	 
CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)Nc2ccccc2SC)CC1	ZINC000012205686	HJ	Annotated	Anodyne	 
Cn1cc(CNCc2cnc3ccccn23)c(-c2ccc(Oc3ccccc3)cc2)n1	ZINC000012299874	HJ	Annotated	Anodyne	 
CCn1ccnc1CN(C)Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1	ZINC000012303085	HJ	Annotated	Anodyne	 
Cc1ccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)o1	ZINC000012303123	HJ	Annotated	Anodyne	 
COc1cc2nc(-c3ccc4c(c3)[C@H](N3CCC3)CC4)cc(O)c2cc1-c1cnco1	ZINC000012354288	HJ	Annotated	Anodyne	
COc1cc2nc(-c3ccc4c(c3)[C@@H](N3CCC3)CC4)cc(O)c2cc1-c1cnco1	ZINC000012354290	HJ	Annotated	Anodyne	
O=C(NO[C@@H]1CCCCO1)Nc1csc(Cc2c(Cl)cccc2Cl)n1	ZINC000012354927	HJ	Annotated	Anodyne	
O=C(NO[C@H]1CCCCO1)Nc1csc(Cc2c(Cl)cccc2Cl)n1	ZINC000012354929	HJ	Annotated	Anodyne	
O=C1NC(=S)S/C1=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1	ZINC000012370125	HJ	Annotated	Clean	 
Cc1ccc(/N=C/c2nc(-c3cccc(OC(F)(F)F)c3)oc2O)c(C(=O)O)c1	ZINC000012421504	HJ	Annotated	Mild	
FC(F)(F)c1cccc(Cc2noc(CN3CCCC[C@@H]3c3ccccn3)n2)c1	ZINC000012430274	HJ	Annotated	Anodyne	 
FC(F)(F)c1cccc(Cc2noc(CN3CCCC[C@H]3c3ccccn3)n2)c1	ZINC000012430275	HJ	Annotated	Anodyne	 
Cn1cc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCCN24)c2ccccc21	ZINC000012438885	HJ	Annotated	Anodyne	 
CCc1ccc(CN(C)C(=O)c2cc(COc3cccc4cnccc34)on2)cc1	ZINC000012440677	HJ	Annotated	Anodyne	 
O=C(Nc1ccnn1C1CCN(Cc2c(F)cccc2Cl)CC1)C1CCCC1	ZINC000012443821	HJ	Annotated	Anodyne	 
CC(C)CCNC(=O)c1onc(CSc2ccccc2)c1C(=O)NCCC(C)C	ZINC000012466395	HJ	Annotated	Anodyne	 
CCCCNC(=O)c1onc(CSc2cc(C)cc(C)c2)c1C(=O)NCCCC	ZINC000012466424	HJ	Annotated	Anodyne	 
O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC(c2ccccc2C(F)(F)F)=NO1	ZINC000012466652	HJ	Annotated	Anodyne	 
O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC(c2ccccc2C(F)(F)F)=NO1	ZINC000012466655	HJ	Annotated	Anodyne	 
O=C1c2ccccc2[C@H](Nc2ccc3nc(-c4cccnc4)[nH]c3c2)N1Cc1ccco1	ZINC000012469471	HJ	Annotated	Anodyne	 
O=C1c2ccccc2[C@@H](Nc2ccc3nc(-c4cccnc4)[nH]c3c2)N1Cc1ccco1	ZINC000012469474	HJ	Annotated	Anodyne	 
CC(C)C[C@@H](CSc1ccccc1)N1CCN(CCc2ccccc2)CCC1=O	ZINC000012474417	HJ	Annotated	Anodyne	 
Nc1ccc(C#Cc2c(-c3ccsc3)oc3ccc(N4CCOCC4)cc23)cc1	ZINC000012476925	HJ	Annotated	Mild	 
COc1ccc(-c2oc3ccc(N4CCOCC4)cc3c2C#Cc2ccc(N)cc2)cc1	ZINC000012477610	HJ	Annotated	Mild	 
COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1	ZINC000012479524	HJ	Annotated	Anodyne	 
COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCCC1	ZINC000012479702	HJ	Annotated	Anodyne	 
COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1	ZINC000012479956	HJ	Annotated	Anodyne	 
COC(=O)C1=C(c2cc3ccccc3o2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccccc1	ZINC000012480305	HJ	Annotated	Anodyne	 
COC(=O)C1=C(c2cc3ccccc3o2)C[C@@H]2CC[C@H]1N2C(=O)NC1CCCCC1	ZINC000012480446	HJ	Annotated	Anodyne	 
CSc1ccc(/C=N/n2c(Cc3ccc(Br)cc3)n[nH]c2=S)cc1	ZINC000012486914	HJ	Annotated	Mild	 
C[C@@H]1CCC[C@@H](NC[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H]1C	ZINC000012531715	HJ	Annotated	Anodyne	 
C[C@H]1CCC[C@@H](NC[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H]1C	ZINC000012531717	HJ	Annotated	Anodyne	 
C[C@H]1CCC[C@H](NC[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H]1C	ZINC000012531720	HJ	Annotated	Anodyne	 
Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4cc(C)c(C)o4)CC3)cc2)n1	ZINC000012596983	HJ	Annotated	Anodyne	 
O=C(Cn1cnc2ccccc21)OC/C(O)=N/c1ccc(Cl)c(C(F)(F)F)c1	ZINC000012659024	HJ	Annotated	Mild	 
COc1ccc(CN2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)c(F)c1	ZINC000012708431	HJ	Annotated	Anodyne	 
CCCN1CCC(NCc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)CC1	ZINC000012715161	HJ	Annotated	Anodyne	 
CCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)NCCC(C)C	ZINC000012725702	HJ	Annotated	Anodyne	 
O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1	ZINC000012727071	HJ	Annotated	Anodyne	 
O=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1	ZINC000012727074	HJ	Annotated	Anodyne	 
CCCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)NCCCC	ZINC000012727114	HJ	Annotated	Anodyne	 
C[C@@H](Sc1ccccc1/C(O)=N/CC(=O)C(C)(C)C)C(=O)Nc1ccc(F)cc1	ZINC000012749253	HJ	Annotated	Anodyne	 
C[C@H](Sc1ccccc1/C(O)=N/CC(=O)C(C)(C)C)C(=O)Nc1ccc(F)cc1	ZINC000012749257	HJ	Annotated	Anodyne	 
CCc1noc(C)c1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1	ZINC000012756605	HJ	Annotated	Anodyne	 
CCc1noc(C)c1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1	ZINC000012756612	HJ	Annotated	Anodyne	 
CCN(C(=O)Cc1c(C(=O)O)n(CC)c2ccccc12)c1cccc(C(F)(F)F)c1	ZINC000013118832	HJ	Annotated	Anodyne	 
Cc1ccccc1OCc1nc2ccccc2c(=O)n1N/C=C1\C=Nc2ccccc21	ZINC000013119343	HJ	Annotated	Anodyne	 
Cc1cccc(C)c1OCc1nc2ccccc2c(=O)n1N/C=C1\C=Nc2ccccc21	ZINC000013119363	HJ	Annotated	Anodyne	 
CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3OC(F)F)=Nc3ncnn32)cc1	ZINC000013123648	HJ	Annotated	Clean	
CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3OC(F)F)=Nc3ncnn32)cc1	ZINC000013123649	HJ	Annotated	Clean	
O=C(NN/C=C1\C=Nc2ccccc21)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1	ZINC000013124111	HJ	Annotated	Reactive	 
O=C(OCc1nnc(-c2ccccc2)o1)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2	ZINC000013136576	HJ	Annotated	Anodyne	 
CCc1ccc([C@H]2N[C@H](c3ccc(CC)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1	ZINC000013142485	HJ	Annotated	Bother	 
CC1(C)[C@H]([N+](=O)[O-])[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H]1[N+](=O)[O-]	ZINC000013146649	HJ	Annotated	Bother	 
CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H]1[N+](=O)[O-]	ZINC000013146650	HJ	Annotated	Bother	 
O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2	ZINC000013151540	HJ	Annotated	Clean	 
O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2	ZINC000013151541	HJ	Annotated	Clean	 
C=C1[C@@H](C)CC[C@]2(C)c3c(C=O)cc(C(C)C)c(OC(C)=O)c3O[C@H](OC(C)=O)[C@H]12	ZINC000013300245	HJ	Annotated	Mild	 
CC(C)=CC(=O)O[C@H]1[C@@H](O)C2=C[C@](O)(C(C)C)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12	ZINC000013303320	HJ	Annotated	Anodyne	 
CC(C)=CC(=O)O[C@H]1C2=C[C@@](O)(C(C)C)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H]1O	ZINC000013303341	HJ	Annotated	Anodyne	 
COc1cc2c(c(OC)c1)C(C)=[N+](c1ccc3cc(C)cc(OC)c3c1O)[C@@H](C)C2	ZINC000013359275	HJ	Annotated	Anodyne	 
CC(C)=CCOc1c(C)cc(O)c2c1[C@H](O)Oc1ccc(CC=C(C)C)c(O)c1C2=O	ZINC000013373314	HJ	Annotated	Anodyne	in-vitro
CC(C)=CCOc1c(C)cc(O)c2c1[C@@H](O)Oc1ccc(CC=C(C)C)c(O)c1C2=O	ZINC000013373315	HJ	Annotated	Anodyne	in-vitro
CC(C)=CCOc1c(C)cc(O)c2c1[C@H](O)Oc1c(CC=C(C)C)ccc(O)c1C2=O	ZINC000013373316	HJ	Annotated	Anodyne	in-vitro
CC(C)=CCOc1c(C)cc(O)c2c1[C@@H](O)Oc1c(CC=C(C)C)ccc(O)c1C2=O	ZINC000013373317	HJ	Annotated	Anodyne	in-vitro
CC(C)=CCOc1c(C)cc(O)c(C(=O)c2c(O)ccc3c2OC(C)(C)C=C3)c1C=O	ZINC000013373322	HJ	Annotated	Anodyne	 
C=CCOc1c(OC)cc([C@@H](C)Cc2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000013374380	HJ	Annotated	Mild	 
COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@@H]3C(C)(C)C(=O)CC[C@]3(C)[C@@H]1C2	ZINC000013374490	HJ	Annotated	Anodyne	in-man endogenous
COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@@H]3C(C)(C)C(=O)CC[C@]3(C)[C@@H]1C2	ZINC000013374491	HJ	Annotated	Anodyne	in-man
COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@@H]1C2	ZINC000013374492	HJ	Annotated	Anodyne	in-man
COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@@H]1C2	ZINC000013374493	HJ	Annotated	Anodyne	in-man
C=C(CC(=O)O)[C@H](O)C/C=C(C)/C=C/[C@H](Cl)[C@](C)(Cl)/C=C/Br	ZINC000013379411	HJ	Annotated	Reactive	 
C=C(CC(=O)O)[C@H](O)C/C=C(C)/C=C/[C@@H](Cl)[C@](C)(Cl)/C=C/Br	ZINC000013379413	HJ	Annotated	Reactive	 
C=C(CC(=O)O)C(=O)C/C=C(C)/C=C/[C@H](Cl)[C@](C)(Cl)/C=C/Br	ZINC000013379414	HJ	Annotated	Reactive	in-vitro biogenic
C=C(CC(=O)O)C(=O)C/C=C(C)/C=C/[C@@H](Cl)[C@](C)(Cl)/C=C/Br	ZINC000013379415	HJ	Annotated	Reactive	in-vitro biogenic
CC(C)=CCc1c(O)c2c(c3c1OC(=O)C[C@@H]3c1ccccc1)O[C@H](C)[C@@H](C)C2=O	ZINC000013382717	HJ	Annotated	Anodyne	 
CC(C)=CCc1c(O)c2c(c3c1OC(=O)C[C@@H]3c1ccccc1)O[C@H](C)[C@H](C)C2=O	ZINC000013382718	HJ	Annotated	Anodyne	 
CC(C)=CCc1c(O)c2c(c(C(=O)/C=C/c3ccccc3)c1O)O[C@H](C(C)(C)O)C2	ZINC000013384326	HJ	Annotated	Mild	 
CC(C)=CCc1c(O)c2c(c(C(=O)/C=C/c3ccccc3)c1O)O[C@@H](C(C)(C)O)C2	ZINC000013384327	HJ	Annotated	Mild	 
C[C@@H]1Oc2c(c(O)c3c(c2[C@@H](CC(=O)O)c2ccccc2)OC(C)(C)C=C3)C(=O)[C@H]1C	ZINC000013385474	HJ	Annotated	Anodyne	 
C=C1CCC[C@@H]2[C@@](C)(C[C@H](O)/C(=C/COC(C)=O)COC(C)=O)[C@H](C)CC[C@@]12C	ZINC000013401681	HJ	Annotated	Mild	 
CC(=O)OCC[C@@H](CO)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(COC(C)=O)=CCC[C@H]12	ZINC000013402858	HJ	Annotated	Anodyne	 
C/C=C(\C)C(=O)O[C@H]1CC(C)=C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12	ZINC000013432500	HJ	Annotated	Anodyne	 
CC(=O)OCC1=CC(=O)[C@]2(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@@H]2C1=O	ZINC000013432888	HJ	Annotated	Mild	 
COc1ccc(Cl)cc1-c1cccn([C@@H](CN2CCCC2)c2ccccc2)c1=O	ZINC000013436667	HJ	Annotated	Anodyne	
COc1ccc(Cl)cc1-c1cccn([C@H](CN2CCCC2)c2ccccc2)c1=O	ZINC000013436673	HJ	Annotated	Anodyne	
COc1ccc([C@@H](C)Cn2ccnc2NC#N)cc1OCCC1Cc2ccccc2C1	ZINC000013438988	HJ	Annotated	Anodyne	
COc1ccc([C@H](C)Cn2ccnc2NC#N)cc1OCCC1Cc2ccccc2C1	ZINC000013438992	HJ	Annotated	Anodyne	
CC(=O)N1CCc2c(sc(NC(=O)C(C)(C)C)c2C(=O)c2ccccc2Cl)C1	ZINC000013442688	HJ	Annotated	Anodyne	
CC(=O)N1CCc2c(sc(NC(=O)C(C)(C)C)c2Cc2ccccc2Cl)C1	ZINC000013442800	HJ	Annotated	Anodyne	
CCCC[C@@H](CC)COC(=O)c1c(NC(=O)C(C)C)sc2c1CCN(C(C)=O)C2	ZINC000013443706	HJ	Annotated	Anodyne	
CCCC[C@H](CC)COC(=O)c1c(NC(=O)C(C)C)sc2c1CCN(C(C)=O)C2	ZINC000013443709	HJ	Annotated	Anodyne	
O=[N+]([O-])c1c(Br)cccc1-c1c[nH]c(Br)c1Br	ZINC000013449799	HJ	Annotated	Bother	 
CC(=O)O[C@H]1C[C@@]2(O[C@@H]2C[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C)=CCC[C@H]23)[C@@H](OC(C)=O)O1	ZINC000013455012	HJ	Annotated	Anodyne	 
CC1(C)C=Cc2c(c3c(c4c2O[C@H](c2ccccc2)[C@@H](O)C4=O)OC(C)(C)C=C3)O1	ZINC000013462588	HJ	Annotated	Anodyne	in-vitro biogenic
CC1(C)C(=O)NC(=O)c2c1ccc1[nH]c(Nc3c(Cl)cc(Cl)cc3Cl)nc21	ZINC000013475187	HJ	Annotated	Anodyne	
CN1C(=O)c2c(ccc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)C(C)(C)C1=O	ZINC000013475192	HJ	Annotated	Anodyne	
CCC1(CC)C(=O)NC(=O)c2c1ccc1[nH]c(Nc3c(Cl)cccc3Cl)nc21	ZINC000013475193	HJ	Annotated	Anodyne	
CCc1ccc2c(c1)cc(CN(C(=S)Nc1ccccc1C)C1CC1)c1nnnn12	ZINC000013477667	HJ	Annotated	Anodyne	 
Cc1nc(C(=O)Nc2ccccc2)sc1[C@@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1	ZINC000013478270	HJ	Annotated	Bother	 
Cc1nc(C(=O)Nc2ccccc2)sc1[C@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1	ZINC000013478271	HJ	Annotated	Bother	 
Cc1c(/N=C(S)/C=C2\N(C)c3ccccc3C2(C)C)c(=O)n(-c2ccccc2)n1C	ZINC000013479218	HJ	Annotated	Mild	 
COC(=O)[C@@H](c1ccc2ccccc2c1)N1C(=O)S/C(=C\c2ccc(C)o2)C1=O	ZINC000013479502	HJ	Annotated	Anodyne	
COC(=O)[C@H](c1ccc2ccccc2c1)N1C(=O)S/C(=C\c2ccc(C)o2)C1=O	ZINC000013479503	HJ	Annotated	Anodyne	
O=C(Nc1nnc(Sc2nc3ccccc3s2)s1)C(Cl)(Cl)Cl	ZINC000013479506	HJ	Annotated	Anodyne	
COc1c(OC/C=C(\C)CCC=C(C)C)cc(O)c2c1[C@@H](OC(C)=O)[C@@H](C)OC2=O	ZINC000013480361	HJ	Annotated	Anodyne	 
COc1c(OC/C=C(\C)CCC=C(C)C)cc(O)c2c1[C@H](OC(C)=O)[C@H](C)OC2=O	ZINC000013480364	HJ	Annotated	Anodyne	 
C/C(=C\CC[C@]1(C)OC(=O)[C@@H](C(=O)c2ccc(O)cc2O)[C@@H]1C)Cc1cc(C)co1	ZINC000013481717	HJ	Annotated	Anodyne	 
C=C[C@](C)(CC[C@@]1(C)[C@H](C)[C@H](OC(C)=O)C[C@@]2(C)C(C)=CC(=O)C[C@@H]21)OC(C)=O	ZINC000013484210	HJ	Annotated	Mild	 
C=C/C(C)=C/C[C@@]1(C)[C@@H](C)CC[C@]2(COC(C)=O)C(COC(C)=O)=CC(=O)C[C@H]12	ZINC000013484277	HJ	Annotated	Mild	in-vitro biogenic
CCC[C@@H](C)n1c(CC)nc2c(-c3ccc(OCCO)nc3C(F)(F)F)ccnc21	ZINC000013487168	HJ	Annotated	Anodyne	
CCC[C@H](C)n1c(CC)nc2c(-c3ccc(OCCO)nc3C(F)(F)F)ccnc21	ZINC000013487169	HJ	Annotated	Anodyne	
COc1cc2[nH]c(-c3ccc(C)c(Br)c3)cc(=O)c2cc1-c1cnco1	ZINC000013487595	HJ	Annotated	Anodyne	 
COc1cc2nc(-c3ccc4c(c3)[C@H](N(C)C)CCO4)cc(O)c2cc1-c1cnco1	ZINC000013487607	HJ	Annotated	Anodyne	
COc1cc2nc(-c3ccc4c(c3)[C@@H](N(C)C)CCO4)cc(O)c2cc1-c1cnco1	ZINC000013487608	HJ	Annotated	Anodyne	
COc1cc2nc(-c3ccc4c(c3)CC[C@@H]4N(C)C)cc(O)c2cc1-c1cnco1	ZINC000013487623	HJ	Annotated	Anodyne	
COc1cc2nc(-c3ccc4c(c3)CC[C@H]4N(C)C)cc(O)c2cc1-c1cnco1	ZINC000013487624	HJ	Annotated	Anodyne	
O=C1c2ccccc2CCCN1CCN1CCC(n2ccc3cc(F)ccc32)CC1	ZINC000013488312	HJ	Annotated	Anodyne	
O=c1c(-c2ccc(Cl)cc2Cl)cncn1[C@@H](CN1CCCC1)c1ccccc1	ZINC000013488429	HJ	Annotated	Anodyne	
O=c1c(-c2ccc(Cl)cc2Cl)cncn1[C@H](CN1CCCC1)c1ccccc1	ZINC000013488430	HJ	Annotated	Anodyne	
NS(=O)(=O)Oc1ccc2oc(C3CCCCCCCCCCC3)cc(=O)c2c1	ZINC000013491333	HJ	Annotated	Anodyne	
O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1c1ccc(Br)cn1	ZINC000013492443	HJ	Annotated	Anodyne	
O=C1CS[C@H](c2c(Cl)cccc2Cl)N1c1ccc(Br)cn1	ZINC000013492444	HJ	Annotated	Anodyne	
N#Cc1ccc(-c2ccc(OCCOc3ccc4ccccc4c3C(=O)NO)cc2)cc1	ZINC000013492619	HJ	Annotated	Mild	
Nc1sc2c(c1C(=O)c1ccc(I)c3ccccc13)CCC2	ZINC000013493364	HJ	Annotated	Anodyne	
Cc1c(C=O)[nH]c(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)n(C)c12	ZINC000013494051	HJ	Annotated	Anodyne	
Nc1sc(Br)c(-c2ccc([N+](=O)[O-])cc2)c1C(=O)c1ccccc1	ZINC000013518387	HJ	Annotated	Bother	
C[N+](C)(C)c1ccc(CC(=O)OCCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1	ZINC000013524867	HJ	Annotated	Bother	
c1ccc(C(CCc2nc(CCNCCc3cccnc3)c[nH]2)c2ccccc2)cc1	ZINC000013530327	HJ	Annotated	Anodyne	
Cc1cnc(NS(=O)(=O)c2ccc(/N=N/c3cc4ccccc4cc3O)cc2)s1	ZINC000013532988	HJ	Annotated	Clean	
Cn1ccc2ccc3c4[nH]c5cccc(Br)c5c4c4c(c3c21)C(=O)NC4=O	ZINC000013534914	HJ	Annotated	Bother	
Cn1ccc2ccc3c4[nH]c5ccc(C(F)(F)F)cc5c4c4c(c3c21)C(=O)NC4=O	ZINC000013534935	HJ	Annotated	Bother	
Cn1ccc2ccc3c4[nH]c5cc(Br)ccc5c4c4c(c3c21)C(=O)NC4=O	ZINC000013534953	HJ	Annotated	Bother	
Cn1ccc2ccc3c4[nH]c5cc(C(F)(F)F)ccc5c4c4c(c3c21)C(=O)NC4=O	ZINC000013534958	HJ	Annotated	Bother	
Cn1ccc2ccc3c4[nH]c5c(Br)cccc5c4c4c(c3c21)C(=O)NC4=O	ZINC000013535001	HJ	Annotated	Bother	
CCOC(=O)C1(c2ccc3c(C)cc(Oc4ccc(C(=N)N)cc4)nc3c2)CCCC1	ZINC000013535199	HJ	Annotated	Anodyne	
Nc1nc(Nc2cccc(Br)c2)nc(OCC2CCCCC2)c1N=O	ZINC000013538710	HJ	Annotated	Anodyne	
CC1=C(CC/C(C)=C/CCC2=CC[C@H](C3=CC(=O)O[C@H]3O)O[C@@H]2O)C(C)(C)CCC1	ZINC000013555764	HJ	Annotated	Anodyne	 
CCc1ccc(NC(=S)Nc2cc(OC)c(NC(=O)C(C)C)cc2OC)cc1	ZINC000013555981	HJ	Annotated	Anodyne	 
C[C@@H]1S[C@@H](C(=O)Nc2ccc(-c3nccs3)cc2)c2cc3c(cc2C1=O)OCO3	ZINC000013556736	HJ	Annotated	Anodyne	
C/C(=C\Cn1oc(=O)[nH]c1=O)c1cccc(OCc2ccc3c(Cl)cccc3c2)c1	ZINC000013558171	HJ	Annotated	Anodyne	
CCCCc1oc2ccccc2c1Cc1cccc(/C(C)=C/Cn2oc(=O)[nH]c2=O)c1	ZINC000013558173	HJ	Annotated	Anodyne	
CC(C)(C)c1cc(/C=C2\CCN(c3ccccn3)S2(=O)=O)cc(C(C)(C)C)c1O	ZINC000013558272	HJ	Annotated	Anodyne	
CC(C)(C)c1cc(/C=C2\CCN(c3cccnc3)S2(=O)=O)cc(C(C)(C)C)c1O	ZINC000013558273	HJ	Annotated	Anodyne	
CC(C)(C)c1cc(/C=C2\CCN(c3ccncc3)S2(=O)=O)cc(C(C)(C)C)c1O	ZINC000013558274	HJ	Annotated	Anodyne	
CC(C)(C)c1cc(/C=C2/CCN(c3ccccn3)S2(=O)=O)cc(C(C)(C)C)c1O	ZINC000013558286	HJ	Annotated	Anodyne	
O=c1onc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1-c1cc(Cl)ccc1O	ZINC000013558801	HJ	Annotated	Anodyne	
CCOC1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1	ZINC000013559337	HJ	Annotated	Anodyne	
CC(=O)C1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1	ZINC000013559342	HJ	Annotated	Anodyne	
CC1(C)CC(=O)C(/C=N/c2cccnc2/N=C/C2=C(O)CC(C)(C)CC2=O)=C(O)C1	ZINC000013572081	HJ	Annotated	Mild	 
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H]1O[C@@H]2[C@@H](C)[C@H]1C	ZINC000013572665	HJ	Annotated	Anodyne	
Clc1ccc(CN2CCO[C@@H](COc3ccc(Cl)c4cccnc34)C2)cc1	ZINC000013579626	HJ	Annotated	Anodyne	
Clc1ccc(CN2CCO[C@H](COc3ccc(Cl)c4cccnc34)C2)cc1	ZINC000013579628	HJ	Annotated	Anodyne	
CC(=O)c1ccc(Cl)cc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCCO1	ZINC000013579683	HJ	Annotated	Anodyne	
CC(=O)c1ccc(Cl)cc1OC[C@H]1CN(Cc2ccc(Cl)cc2)CCCO1	ZINC000013579685	HJ	Annotated	Anodyne	
O=C1CCCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(O)CSCC1=N2	ZINC000013580009	HJ	Annotated	Mild	
O=C1CCCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(O)CSCC1=N2	ZINC000013580011	HJ	Annotated	Mild	
CCCN1CC2=C(C1=O)[C@@H](c1ccc(F)c(Br)c1)C1=C(O)CCCC1=N2	ZINC000013580090	HJ	Annotated	Anodyne	
Cc1cccc(COc2nn3c(-c4csc(C)n4)nnc3c3c2C2CCC3CC2)n1	ZINC000013580826	HJ	Annotated	Anodyne	
Brc1cccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)c1	ZINC000013580893	HJ	Annotated	Anodyne	
CCCC(CCC)n1c(CC)nc2c1c(=O)n(C)c(=O)n2-c1c(C)cc(C)cc1C	ZINC000013582779	HJ	Annotated	Anodyne	
CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1cc(F)c(OC)cc1Cl	ZINC000013584785	HJ	Annotated	Anodyne	
CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CSCCOC(=O)c2ccccc2)C1	ZINC000013584849	HJ	Annotated	Anodyne	
Cc1nc2c(c(Cc3ccccc3)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1	ZINC000013585095	HJ	Annotated	Anodyne	
CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C(C)C)[nH]c(=O)c12	ZINC000013585118	HJ	Annotated	Anodyne	
CCCc1nc2c(c(SC)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1	ZINC000013585120	HJ	Annotated	Anodyne	
CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C3CC3)[nH]c(=O)c12	ZINC000013585123	HJ	Annotated	Anodyne	
CSCc1nc2c(c(SC)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1	ZINC000013585139	HJ	Annotated	Anodyne	
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCSC)[nH]c(=O)c12	ZINC000013585140	HJ	Annotated	Anodyne	
NCCCCN(CCCN)CCCCCNCc1c2ccccc2cc2ccccc12	ZINC000013585475	HJ	Annotated	Bother	
COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1cc(OC)c(OC)c(OC)c1	ZINC000013585520	HJ	Annotated	Anodyne	
O=c1[nH]c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1cc(Cl)ccc1O	ZINC000013587049	HJ	Annotated	Anodyne	
Cc1cc(NC2=C(Cc3ccccc3)C(=O)CCC2)ccc1C1=NNC(=O)C1(C)C	ZINC000013587315	HJ	Annotated	Mild	
CN1CCN(c2ccc(C3=C[C@@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1	ZINC000013587756	HJ	Annotated	Clean	
CN1CCN(c2ccc(C3=C[C@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1	ZINC000013587757	HJ	Annotated	Clean	
Cc1ccc(/N=C/c2nc(-c3ccc(C(F)(F)F)c(F)c3)oc2O)c(C(=O)O)c1	ZINC000013588222	HJ	Annotated	Mild	
COc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C=C(c1cccc4cccnc14)C3)CO2	ZINC000013589032	HJ	Annotated	Anodyne	
O=C(NCC/C=C/c1ccccc1)c1ccccc1CNCCc1ccc(O)cc1	ZINC000013589124	HJ	Annotated	Anodyne	
O=C(NCC/C=C\c1ccccc1)c1ccccc1CNCCc1ccc(O)cc1	ZINC000013589125	HJ	Annotated	Anodyne	
O=C(NCCCCc1ccccc1)c1ccccc1CN1CCc2ccc(O)cc2C1	ZINC000013589141	HJ	Annotated	Anodyne	
CCN1c2ncc(CSc3ccncc3)cc2C(=O)Nc2c(C)cc(Cl)nc21	ZINC000013589470	HJ	Annotated	Anodyne	
CCN1c2ncc(CSc3cc(C)nc(C)c3)cc2C(=O)Nc2c(C)cc(F)nc21	ZINC000013589474	HJ	Annotated	Anodyne	
CCN1c2ncc(CSc3cc(C)nc(C)c3)cc2C(=O)Nc2c(C)ccnc21	ZINC000013589475	HJ	Annotated	Anodyne	
C/N=C(/S)[C@@]1(c2cccnc2)CCCC[C@@H]1CCOC(=O)c1ccc(F)cc1	ZINC000013590016	HJ	Annotated	Mild	
Cc1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1	ZINC000013601048	HJ	Annotated	Mild	
CCN1CCN=C1c1ccc(-c2ccc(-c3ccc(C4=NCCN4CC)cc3)o2)cc1	ZINC000013602504	HJ	Annotated	Anodyne	
CCC[C@@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3ccc(OC(C)=O)cc3n21	ZINC000013606443	HJ	Annotated	Anodyne	
CCC[C@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3ccc(OC(C)=O)cc3n21	ZINC000013606445	HJ	Annotated	Anodyne	
CC1(C)C[C@@H](NC(=S)NCc2ccccc2)c2cc(Br)ccc2O1	ZINC000013608356	HJ	Annotated	Anodyne	
CC1(C)C[C@H](NC(=S)NCc2ccccc2)c2cc(Br)ccc2O1	ZINC000013608360	HJ	Annotated	Anodyne	
COc1ccccc1-c1nnc2c3c(c(OCc4ccccn4)nn12)C1CCC3CC1	ZINC000013610179	HJ	Annotated	Anodyne	
COc1cccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)c1	ZINC000013610183	HJ	Annotated	Anodyne	
Fc1ccccc1-c1nnc2c3c(c(OCc4ccccn4)nn12)C1CCC3CC1	ZINC000013610200	HJ	Annotated	Anodyne	
Fc1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1	ZINC000013610203	HJ	Annotated	Anodyne	
COc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	ZINC000013610260	HJ	Annotated	Anodyne	
N#Cc1ccccc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	ZINC000013610332	HJ	Annotated	Mild	
N#Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1	ZINC000013610338	HJ	Annotated	Mild	
OCc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1	ZINC000013610344	HJ	Annotated	Anodyne	
OCC1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)CC1	ZINC000013610395	HJ	Annotated	Anodyne	
Cc1csc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1	ZINC000013610438	HJ	Annotated	Anodyne	
Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)s1	ZINC000013610441	HJ	Annotated	Anodyne	
Cc1scnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1	ZINC000013610444	HJ	Annotated	Anodyne	
Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)sn1	ZINC000013610450	HJ	Annotated	Anodyne	
Oc1c(Br)cc(/C=N/Oc2cc(F)cc(F)c2)cc1Br	ZINC000013611128	HJ	Annotated	Mild	
O=C(Nc1ccccc1)C1=C[C@@H](c2ccccc2)C[C@@H](OCc2ccc(CO)cc2)O1	ZINC000013634926	HJ	Annotated	Anodyne	 
O=C(Nc1ccccc1)C1=C[C@H](c2ccccc2)C[C@H](OCc2ccc(CO)cc2)O1	ZINC000013634999	HJ	Annotated	Anodyne	 
Cc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3ccc4cccc(F)c4n3)C2)o1	ZINC000013636991	HJ	Annotated	Anodyne	 
Cc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3ccc4cccc(F)c4n3)C2)o1	ZINC000013636995	HJ	Annotated	Anodyne	 
CCCCCO[C@@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O	ZINC000013641964	HJ	Annotated	Anodyne	
CCCCCO[C@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O	ZINC000013641967	HJ	Annotated	Anodyne	
c1ccc(OCc2nnc(CCCCCc3nnc(COc4ccccc4)o3)o2)cc1	ZINC000013645644	HJ	Annotated	Anodyne	
N=C(CCCCCCCC(=N)NCC#Cc1ccccc1)NCC#Cc1ccccc1	ZINC000013648243	HJ	Annotated	Mild	
Cc1c(-c2ccc(O)cc2)n(CCCCNCc2ccccn2)c2ccc(O)cc12	ZINC000013649981	HJ	Annotated	Anodyne	
CCC[C@@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3cc(OC(C)=O)ccc3n21	ZINC000013650953	HJ	Annotated	Anodyne	
CCC[C@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3cc(OC(C)=O)ccc3n21	ZINC000013650954	HJ	Annotated	Anodyne	
O=C1O[C@@H](Cn2ccnc2Cc2ccccc2)CC1(c1ccccc1)c1ccccc1	ZINC000013651106	HJ	Annotated	Anodyne	
O=C1O[C@H](Cn2ccnc2Cc2ccccc2)CC1(c1ccccc1)c1ccccc1	ZINC000013651107	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2Sc3ccccc3-n3c(CN4CCOCC4)ccc32)c(OC)c1	ZINC000013651952	HJ	Annotated	Clean	
COc1ccc([C@H]2Sc3ccccc3-n3c(CN4CCOCC4)ccc32)c(OC)c1	ZINC000013651953	HJ	Annotated	Clean	
CCC(CC)N1CCn2c(=O)n(-c3ccc(C(F)(F)F)cc3)c3nc(C)cc1c32	ZINC000013652933	HJ	Annotated	Anodyne	
CCN(Cc1cc(OC)c(OC)c(OC)c1)C(=S)Nc1cccc(SC)c1	ZINC000013656610	HJ	Annotated	Anodyne	 
CCO[C@@H]1OC(C(=O)N2CCCCCCC2)=C[C@H](C2CCCCC2)[C@H]1CCCO	ZINC000013656809	HJ	Annotated	Anodyne	 
CCO[C@H]1OC(C(=O)N2CCCCCCC2)=C[C@@H](C2CCCCC2)[C@@H]1CCCO	ZINC000013656819	HJ	Annotated	Anodyne	 
CC(C)c1cc(-c2cc(C(=O)NCc3ccccc3)on2)nc(NC2CCCC2)n1	ZINC000013660310	HJ	Annotated	Anodyne	 
O=C(Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N2)c1ccc(Cl)cc1Cl	ZINC000013661335	HJ	Annotated	Clean	 
Cc1ccc(SC[C@H](Cc2ccccc2)N2CCN(CC(C)C)CCC2=O)cc1	ZINC000013661709	HJ	Annotated	Anodyne	 
CC[C@@]1(c2ccc(Cn3ccsc3=N)cc2)Oc2ccccc2-n2cccc2C1=O	ZINC000013675354	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(Cn3ccsc3=N)cc2)Oc2ccccc2-n2cccc2C1=O	ZINC000013675356	HJ	Annotated	Anodyne	
COC(=O)/C=C/c1ccc2c(c1)n(C)c1cc(OC)cc3c4ccccc4[n+](C)c2c31	ZINC000013675629	HJ	Annotated	Bother	
O=S(=O)(Oc1ccccc1)[C@@H]1C[C@H]2O[C@@H]1C(c1ccccc1)=C2c1ccccc1	ZINC000013675745	HJ	Annotated	Anodyne	
O=S(=O)(Oc1ccccc1)[C@H]1C[C@H]2O[C@@H]1C(c1ccccc1)=C2c1ccccc1	ZINC000013675747	HJ	Annotated	Anodyne	
CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCCOC(=O)c2ccccc2)C1	ZINC000013677486	HJ	Annotated	Anodyne	
CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCCOC(=O)c2ccccc2)C1	ZINC000013677511	HJ	Annotated	Anodyne	
Cc1c(Cc2c(Cl)cccc2Cl)nc(SCc2ccc(O)cc2)[nH]c1=O	ZINC000013677549	HJ	Annotated	Anodyne	
N#Cc1cc(F)ccc1-c1cc(-c2cnc3nc(C(F)(F)F)cnn23)ccc1F	ZINC000013681607	HJ	Annotated	Mild	
Fc1cnc(-c2cc(-c3cnnc(-c4c(F)cncc4F)c3)ccc2F)c(F)c1	ZINC000013686159	HJ	Annotated	Anodyne	
Fc1cnc(-c2cc(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnn2)c(F)c1	ZINC000013686168	HJ	Annotated	Anodyne	
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=S)Nc1ccc(OC(F)F)cc1	ZINC000013686897	HJ	Annotated	Anodyne	 
N#CC1(Nc2cccnc2)CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1	ZINC000013729127	HJ	Annotated	Mild	
Cc1cccc(-c2nc(SC[C@H]3C[C@@](C)(O)CC(=O)O3)[nH]c2-c2cccc(C)c2)c1	ZINC000013730495	HJ	Annotated	Anodyne	
CO[C@H]1C[C@@](C)(O)C[C@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)O1	ZINC000013730556	HJ	Annotated	Anodyne	
CO[C@@H]1C[C@@](C)(O)C[C@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)O1	ZINC000013730559	HJ	Annotated	Anodyne	
CO[C@]1(C)C[C@H](O)C[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)O1	ZINC000013730562	HJ	Annotated	Anodyne	
COc1ccc(C(C(=O)NCCCN2[C@@H](C)CCC[C@@H]2C)c2ccc(OC)cc2)cc1	ZINC000013733981	HJ	Annotated	Anodyne	
COc1ccc(C(C(=O)NCCCN2[C@@H](C)CCC[C@H]2C)c2ccc(OC)cc2)cc1	ZINC000013733987	HJ	Annotated	Anodyne	
COc1ccc(C(C(=O)NCCCN2[C@H](C)CCC[C@H]2C)c2ccc(OC)cc2)cc1	ZINC000013733990	HJ	Annotated	Anodyne	
O=C(c1c[nH]c2c(OCc3ccccc3)cccc12)[C@@H]1CS[C@H](c2cccnc2)N1	ZINC000013737447	HJ	Annotated	Anodyne	
Cc1c(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc2n1C(=O)OC(C)(C)C	ZINC000013737551	HJ	Annotated	Anodyne	
Cc1c(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc2n1C(=O)OC(C)(C)C	ZINC000013737552	HJ	Annotated	Anodyne	
CCCCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O	ZINC000013740810	HJ	Annotated	Mild	
CCOC1(OCC)[C@@H]2c3ccccc3[C@@H]([n+]3ccn(Cc4ccccc4)c32)C1(C)C	ZINC000013741380	HJ	Annotated	Anodyne	
Cc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2cccc(OCCO)c2n1	ZINC000013742303	HJ	Annotated	Anodyne	
C/C(=N\OCC#N)c1ccc(Sc2ncc([C@@]3(C)COC(C)(C)O3)s2)cc1	ZINC000013743629	HJ	Annotated	Mild	
CS(=O)(=O)Nc1cc2c(cc1Sc1ccc(Cl)cc1Cl)C(=O)CC2	ZINC000013744777	HJ	Annotated	Anodyne	
O=C1CCc2cc(NS(=O)(=O)C(F)(F)F)c(Sc3ccc(F)cc3F)cc21	ZINC000013744790	HJ	Annotated	Anodyne	
c1ccc(CN2CCC(CCc3noc4cc(N5CCOCC5)ccc34)CC2)cc1	ZINC000013745751	HJ	Annotated	Anodyne	
CN(C)c1ccccc1C[S@@](=O)c1ncc(-c2ccccc2)n1-c1ccccc1	ZINC000013746225	HJ	Annotated	Anodyne	
CN(C)c1ccccc1C[S@](=O)c1ncc(-c2ccccc2)n1-c1ccccc1	ZINC000013746227	HJ	Annotated	Anodyne	
CN(C)c1ccccc1C[S@@](=O)c1nc(-c2ccccc2)cn1Cc1ccccc1	ZINC000013746229	HJ	Annotated	Anodyne	
CN(C)c1ccccc1C[S@](=O)c1nc(-c2ccccc2)cn1Cc1ccccc1	ZINC000013746231	HJ	Annotated	Anodyne	
CN(C)c1ccccc1C[S@@](=O)c1ncc(-c2ccccc2)n1Cc1ccccc1	ZINC000013746241	HJ	Annotated	Anodyne	
CN(C)c1ccccc1C[S@](=O)c1ncc(-c2ccccc2)n1Cc1ccccc1	ZINC000013746243	HJ	Annotated	Anodyne	
O=[S@@]1c2cc(Cl)ccc2[C@@H](OCc2ccsc2Cl)[C@H]1Cn1ccnc1	ZINC000013775808	HJ	Annotated	Anodyne	
O=[S@]1c2cc(Cl)ccc2[C@@H](OCc2ccsc2Cl)[C@H]1Cn1ccnc1	ZINC000013775809	HJ	Annotated	Anodyne	
O=c1oc(Nc2ccccc2I)nc2cc3ccccc3cc12	ZINC000013779153	HJ	Annotated	Bother	
COc1ccc(CCCCNCCOc2cc(F)cc3c2OC(C)(C)CC3)cc1	ZINC000013780379	HJ	Annotated	Anodyne	
CCCOc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)cc1	ZINC000013780395	HJ	Annotated	Anodyne	
CSc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)cc1	ZINC000013780398	HJ	Annotated	Anodyne	
CN(Cc1ccc(SC(F)(F)F)cc1)C(=O)N1C(=O)C[C@@H]1Cc1ccccc1	ZINC000013780505	HJ	Annotated	Anodyne	
COc1cccc(S(=O)(=O)Nc2onc(C)c2C)c1-c1ccc(CC(C)C)cc1	ZINC000013782460	HJ	Annotated	Anodyne	
CCN(CC)C(=O)/C=C(\C)c1ccc(O[C@@H](C)c2ccccc2)c(OCC(=O)O)c1	ZINC000013782697	HJ	Annotated	Anodyne	
CCN(CC)C(=O)/C=C(\C)c1ccc(O[C@H](C)c2ccccc2)c(OCC(=O)O)c1	ZINC000013782698	HJ	Annotated	Anodyne	
CCN(CC)C(=O)/C=C(\C)c1cc(OCC(=O)O)cc(O[C@@H](C)c2ccccc2)c1	ZINC000013782712	HJ	Annotated	Anodyne	
CCN(CC)C(=O)/C=C(\C)c1cc(OCC(=O)O)cc(O[C@H](C)c2ccccc2)c1	ZINC000013782713	HJ	Annotated	Anodyne	
CCN(CC)C(=O)/C=C(\C)c1ccc(O[C@@H](C)c2ccccc2)cc1OCC(=O)O	ZINC000013782714	HJ	Annotated	Anodyne	
CCN(CC)C(=O)/C=C(\C)c1ccc(O[C@H](C)c2ccccc2)cc1OCC(=O)O	ZINC000013782715	HJ	Annotated	Anodyne	
CCN(CC)C(=O)/C=C(\C)c1ccc(SCc2ccccc2)c(OCC(=O)O)c1	ZINC000013782717	HJ	Annotated	Anodyne	
O=C(O)[C@@H]1CC(=O)N(CCC23CC4CC(CC(C4)C2)C3)/C(=N/c2ccccc2)S1	ZINC000013783261	HJ	Annotated	Mild	
O=C(O)[C@H]1CC(=O)N(CCC23CC4CC(CC(C4)C2)C3)/C(=N/c2ccccc2)S1	ZINC000013783262	HJ	Annotated	Mild	
CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@@]4(C)[C@@H]3CC[C@]21C	ZINC000013783327	HJ	Annotated	Anodyne	 
CCN(CC)c1cc(C)nc(N(CC)c2ccc(C(C)=O)cc2Br)n1	ZINC000013794475	HJ	Annotated	Anodyne	
CCN(CC)c1cc(C)nc(N(CC)c2ccc(N(C)C)cc2Br)n1	ZINC000013794500	HJ	Annotated	Anodyne	
CCC(CC)Oc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br	ZINC000013794894	HJ	Annotated	Anodyne	
CCCCN(CC)c1nc(C)nc2c1nc(C)n2-c1c(Cl)cc(OC)cc1OC	ZINC000013795043	HJ	Annotated	Anodyne	
CC1(C)C=C(n2ccccc2=O)c2cc(OC(=O)Nc3ccc(F)cc3)ccc2O1	ZINC000013795422	HJ	Annotated	Anodyne	
CC(C)c1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1	ZINC000013797297	HJ	Annotated	Anodyne	
O=C(c1cccc2ccccc12)N1CCN(CCCc2ncc[nH]2)c2ccccc2C1	ZINC000013803035	HJ	Annotated	Anodyne	
O=C(c1ccccc1-c1ccccc1)N1CCN(Cc2c[nH]cn2)c2ccccc2C1	ZINC000013803045	HJ	Annotated	Anodyne	
N=C(N)c1ccc(/C=C2\CCCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1	ZINC000013803377	HJ	Annotated	Mild	
N=C(N)c1ccc(/C=C2/CCCCCC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1	ZINC000013803382	HJ	Annotated	Mild	
O=C1NS(=O)(=O)N(Cc2ccccc2-c2ccccc2)c2c1sc1ccccc21	ZINC000013805284	HJ	Annotated	Anodyne	
O=C1NS(=O)(=O)N(Cc2cccc(-c3ccccc3)c2)c2c1sc1ccccc21	ZINC000013805286	HJ	Annotated	Anodyne	
O=C1NS(=O)(=O)N(Cc2ccc(-c3ccccc3)cc2)c2c1sc1ccccc21	ZINC000013805289	HJ	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)Oc3cc(C)c(Br)c(C)c32)cc(OC)c1OC	ZINC000013814838	HJ	Annotated	Anodyne	 
COc1cc([C@H]2CC(=O)Oc3cc(C)c(Br)c(C)c32)cc(OC)c1OC	ZINC000013814841	HJ	Annotated	Anodyne	 
CCCCC1=CC2=C(c3ccco3)C(=O)[C@@](C)(OC(=O)c3cccs3)C(=O)C2=CO1	ZINC000013815623	HJ	Annotated	Mild	
CCCCC1=CC2=C(c3ccco3)C(=O)[C@](C)(OC(=O)c3cccs3)C(=O)C2=CO1	ZINC000013815627	HJ	Annotated	Mild	
Cc1ccc(CC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C)c1	ZINC000013815792	HJ	Annotated	Anodyne	
CCO[C@@H](C)n1c([S@@](=O)Cc2nccc(SCC)c2C)nc2ccccc21	ZINC000013820818	HJ	Annotated	Anodyne	
CCO[C@H](C)n1c([S@@](=O)Cc2nccc(SCC)c2C)nc2ccccc21	ZINC000013820820	HJ	Annotated	Anodyne	
CCO[C@@H](C)n1c([S@](=O)Cc2nccc(SCC)c2C)nc2ccccc21	ZINC000013820822	HJ	Annotated	Anodyne	
CCO[C@H](C)n1c([S@](=O)Cc2nccc(SCC)c2C)nc2ccccc21	ZINC000013820824	HJ	Annotated	Anodyne	
CCN(CC)CC#CCCC1([C@@]2(O)CCCc3ccccc32)SCCCS1	ZINC000013821783	HJ	Annotated	Mild	
CCN(CC)CC#CCCC1([C@]2(O)CCCc3ccccc32)SCCCS1	ZINC000013821785	HJ	Annotated	Mild	
O=S1(=O)c2cccc3cccc(c23)N1CCCN1CC=C(c2ccccc2)CC1	ZINC000013823448	HJ	Annotated	Anodyne	
O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCC(c2ccccc2)CC1	ZINC000013823463	HJ	Annotated	Anodyne	
O=S1(=O)c2cccc3cccc(c23)N1CCCCN1CC=C(c2ccccc2)CC1	ZINC000013823500	HJ	Annotated	Anodyne	
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccsc2[C@H]1CN1CCCC1	ZINC000013823973	HJ	Annotated	Anodyne	
O=C(O)C[C@H](O)C[C@H](O)COc1c(Cl)cc(Cl)cc1C(F)=C1CCCCC1	ZINC000013824718	HJ	Annotated	Anodyne	
CCCNC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2)cccc1N(C)C	ZINC000013827515	HJ	Annotated	Anodyne	
CCCCCNC(=O)Nc1c(OCCCn2cnc3ccccc32)cccc1N(C)C	ZINC000013827589	HJ	Annotated	Anodyne	
C/C=C1\CO[C@@](C(=O)NCc2ccncc2)(C(F)(F)F)C=C1C=C1CCCCC1	ZINC000013828959	HJ	Annotated	Anodyne	 
C/C=C1\CO[C@](C(=O)NCc2ccncc2)(C(F)(F)F)C=C1C=C1CCCCC1	ZINC000013828961	HJ	Annotated	Anodyne	 
Cc1ccc(CNC(=O)[C@]2(C(F)(F)F)C[C@H](CCc3ccccc3)CCCO2)o1	ZINC000013829040	HJ	Annotated	Anodyne	
O=C(NCc1ccccc1)[C@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1	ZINC000013829042	HJ	Annotated	Anodyne	
O=C(NCc1ccccc1)[C@@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1	ZINC000013829044	HJ	Annotated	Anodyne	
Cc1ccc(CNC(=O)[C@@]2(C(F)(F)F)C/C(=C\Cc3ccccc3)CCCO2)o1	ZINC000013829080	HJ	Annotated	Anodyne	 
Cc1ccc(CNC(=O)[C@]2(C(F)(F)F)C/C(=C\Cc3ccccc3)CCCO2)o1	ZINC000013829082	HJ	Annotated	Anodyne	 
Cc1ccc(SC[C@@H](Cc2ccccc2)N2CCN(CC(C)C)CCC2=O)cc1	ZINC000013829829	HJ	Annotated	Anodyne	
COc1ccc(SC[C@H](c2ccccc2)N2CCN(CC(C)C)CCC2=O)cc1	ZINC000013829880	HJ	Annotated	Anodyne	
COc1ccc(SC[C@@H](c2ccccc2)N2CCN(CC(C)C)CCC2=O)cc1	ZINC000013829882	HJ	Annotated	Anodyne	
COc1ccc([C@H]2C=CCN(CC(C)C)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1	ZINC000013830963	HJ	Annotated	Anodyne	
COc1ccc([C@H]2/C=C/CN(CC(C)C)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1	ZINC000013830965	HJ	Annotated	Anodyne	
Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4)c3c2F)cc(C)n1	ZINC000013832968	HJ	Annotated	Anodyne	
O=c1ncn2nc(Sc3ccccc3O)ccc2c1-c1c(Cl)cccc1Cl	ZINC000013864349	HJ	Annotated	Anodyne	
COc1cccc(/C=C(/C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c2ccccc2)c1	ZINC000013865418	HJ	Annotated	Anodyne	 
COc1cccc(/C=C(/C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c2ccccc2)c1	ZINC000013865421	HJ	Annotated	Anodyne	 
COc1cccc(/C=C(/C(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)c2ccccc2)c1	ZINC000013865425	HJ	Annotated	Anodyne	 
CC1(C)CC(=O)C(/C=N/c2cccc(/N=C/C3=C(O)CC(C)(C)CC3=O)n2)=C(O)C1	ZINC000013879143	HJ	Annotated	Mild	 
CCC[C@@H](CC(=O)O)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21	ZINC000013973076	HJ	Annotated	Anodyne	
CC[C@@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(F)c(N(C)C)cc3Cl)ccnc21	ZINC000013976054	HJ	Annotated	Anodyne	
CC(C)(C[C@@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1cc(F)ccc1O	ZINC000013977145	HJ	Annotated	Anodyne	
Cc1ccc(-c2ncc(C(=O)N[C@H](CO)CC(C)C)nc2-c2ccc(C)cc2)cc1	ZINC000013979847	HJ	Annotated	Anodyne	
CC(C)=CC(=O)/C=C(\C)CCC[C@@]1(C)OC(=O)[C@H](C(=O)c2ccc(O)cc2O)[C@H]1C	ZINC000013980335	HJ	Annotated	Mild	
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)C[N+]1([O-])CCC[C@@H]1C3	ZINC000135687481	HJ	Annotated	Bother	 
CCCCCCCOc1ccc(C(=O)NCC(=O)N[C@@H]2CCCc3ccccc32)cc1	ZINC000135764634	HJ	Annotated	Mild	 
CCCCCCCOc1ccc(C(=O)NCC(=O)N[C@H]2CCCc3ccccc32)cc1	ZINC000135764670	HJ	Annotated	Mild	 
CCC(=O)[C@H](C)[C@@H](O)[C@@H](C)C(=O)CC/C(C)=C\C[C@H](O)/C(C)=C/c1csc(C)n1	ZINC000135783636	HJ	Annotated	Anodyne	
C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2C([C@@H](CC=C(C)C)OC(C)=O)=CO[C@@H](OC(C)=O)[C@@H]12	ZINC000135798343	HJ	Annotated	Mild	
C=C1C[C@@H](CCC)OC(=O)[C@@H](C)CCCC[C@@H]2O[C@@H](C[C@H](O)C(=O)[C@H](C)C1)C[C@@H]2C	ZINC000135810247	HJ	Annotated	Mild	
C[C@@H]1CC[C@H]2[C@H](C)C3=C(CN2C1)[C@@H]1C[C@H]2[C@@H](C[C@@H](O)[C@H]4C[C@H](O)CC[C@]24C)[C@@H]1CC3	ZINC000135834699	HJ	Annotated	Anodyne	 
C/C(=C\C[C@H](O)[C@H](C)C1=CC[C@@]2(C)C[C@H]3[C@H](CC[C@H]3C)C(C(=O)O)=CC[C@H]12)C(=O)O	ZINC000136012973	HJ	Annotated	Anodyne	
O=c1cc(Cc2ccccc2)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)[nH]n12	ZINC000136033438	HJ	Annotated	Anodyne	
CC1=C(CC/C(=C\C=C/C2=CC(=O)O[C@H]2O)CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1	ZINC000136040925	HJ	Annotated	Anodyne	
Cc1nc(C2=C(C(F)(F)F)NN(c3ccccc3)/C2=C2/C=CC(=O)C=C2O)cs1	ZINC000136060013	HJ	Annotated	Mild	 
CC(C)C(=O)c1c(O)cc2c(c1O)[C@@H](C(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O	ZINC000136373157	HJ	Annotated	Mild	
CC(C)C(=O)c1c(O)cc2c(c1O)[C@H](C(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O	ZINC000136373198	HJ	Annotated	Mild	
CC(=O)N1CCC[C@@H]([C@]2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1	ZINC000136428092	HJ	Annotated	Anodyne	 
CC(C)C1=N[C@@](C)(C2=N[C@](C)(C3=N[C@](C)(c4nccs4)CS3)CS2)CS1	ZINC000136563119	HJ	Annotated	Anodyne	
C=C1C[C@@H](CCC)OC(=O)[C@@H](C)CCCC[C@@H]2O[C@H](C[C@@H]2C)C[C@@H](O)C(=O)[C@H](C)C1	ZINC000136640011	HJ	Annotated	Mild	
C[C@@H]1CC[C@H]2[C@H](C)C3=C(CN2C1)[C@@H]1C[C@H]2[C@@H](C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]24C)[C@@H]1CC3	ZINC000136690876	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000136690959	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000136691009	HJ	Annotated	Anodyne	 
C[C@@H]1[C@H]2[C@@H](O)C[C@@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12	ZINC000136797496	HJ	Annotated	Anodyne	 
CCCCCCOc1ccc(C(=O)NCC(=O)N[C@@H]2CCCc3ccccc32)cc1	ZINC000136827118	HJ	Annotated	Anodyne	 
CCCCCCOc1ccc(C(=O)NCC(=O)N[C@H]2CCCc3ccccc32)cc1	ZINC000136827185	HJ	Annotated	Anodyne	 
CC1=C(CC/C(=C/C[C@@H](O)[C@H]2COC(=O)C2)CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1	ZINC000136920610	HJ	Annotated	Anodyne	
C=C1CC[C@H](OC(=O)C=C(C)C)C(C)(C)[C@H]1CCc1ccc2c(c1)C(=O)[C@H]1O[C@H]1C2=O	ZINC000137249924	HJ	Annotated	Mild	
C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C)[C@@H](OC(=O)C=C(C)C)C1=O	ZINC000137347721	HJ	Annotated	Mild	
COc1ccc([C@@H]2CC3(N4CCCC4)C[C@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1	ZINC000137352689	HJ	Annotated	Anodyne	 
[C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@](C)(N=C=S)CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)[N+]#[C-])O1	ZINC000137715859	HJ	Annotated	Reactive	
C=C1CC[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@@]23C)[C@H]1C(=O)OC[C@@H](O)COC(C)=O	ZINC000137919317	HJ	Annotated	Mild	
C[C@@H]1[C@H]2[C@@H](O)C[C@@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12	ZINC000137919583	HJ	Annotated	Anodyne	 
C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1	ZINC000137919701	HJ	Annotated	Anodyne	 
CC(C)CCO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000137923043	HJ	Annotated	Mild	
CC(C)CCO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000137923142	HJ	Annotated	Mild	 
COc1ccc(-c2sc(C(=O)O)cc2-c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000137955977	HJ	Annotated	Anodyne	 
COc1ccc(-c2sc(C(=O)O)cc2-c2cc(OC)c(OC)c(OC)c2)cc1O	ZINC000137956425	HJ	Annotated	Anodyne	 
COc1ccc(-c2cc(C(=O)O)sc2-c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000137967718	HJ	Annotated	Anodyne	 
COc1ccc(-c2cc(C(=O)O)sc2-c2cc(OC)c(OC)c(OC)c2)cc1O	ZINC000137967918	HJ	Annotated	Anodyne	 
CC1(C)O[C@@H]1/C=C/[C@@]1(C)C=Cc2c(CCC(=O)c3ccc(O)cc3O)ccc(O)c2O1	ZINC000138070126	HJ	Annotated	Anodyne	
CC(C)(O)/C=C/C[C@]1(C)C=Cc2c(CCC(=O)c3ccc(O)cc3O)ccc(O)c2O1	ZINC000138070337	HJ	Annotated	Anodyne	
CCN(CC)CCSc1nc2c(Br)cc(Br)cc2[nH]1	ZINC000138161603	HJ	Annotated	Anodyne	
CC(C)CO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000138221399	HJ	Annotated	Mild	 
CC(C)=CCO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000138242341	HJ	Annotated	Mild	
CCOC(=O)c1cn(CC)c2cc(F)c(O[C@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)cc2c1=O	ZINC000138356315	HJ	Annotated	Anodyne	
N#Cc1cccc([C@H](O)[C@@H]2CN(CCC3CCCCC3)CC[C@@]2(O)c2ccccc2)c1	ZINC000138391609	HJ	Annotated	Mild	
COc1ccc(C(=O)[C@H]2C[C@@H]2CN(C)CC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000138547350	HJ	Annotated	Anodyne	
COc1cccc(C(=O)[C@H]2C[C@@H]2CN(C)CC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1	ZINC000138547588	HJ	Annotated	Anodyne	
C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000138548631	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@H]2[C@@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000138699403	HJ	Annotated	Anodyne	 
N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(F)cc2)c1	ZINC000138787707	HJ	Annotated	Mild	 
CC(=O)O[C@@H]1/C(C)=C/C[C@H](O)/C(C)=C/CC/C(C)=C/C=C(\C(C)C)[C@H]1OC(C)=O	ZINC000138788641	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1/C(C)=C/CC/C(C)=C/[C@H](O)C/C(C)=C/C=C(\C(C)C)[C@H]1OC(C)=O	ZINC000138788758	HJ	Annotated	Anodyne	
N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2cccc(F)c2)c1	ZINC000138814923	HJ	Annotated	Mild	 
N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2ccccc2F)c1	ZINC000138838289	HJ	Annotated	Mild	 
C/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)C1=C[C@](O)(CC(C)C)NC1=O	ZINC000138898868	HJ	Annotated	Mild	
C/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)C1=C[C@@](O)(CC(C)C)NC1=O	ZINC000138907578	HJ	Annotated	Mild	
Cc1noc([C@@H]2CCN(c3cccnc3Oc3ccc(Nc4ccccn4)cc3)C2)n1	ZINC000138953458	HJ	Annotated	Anodyne	
Cc1noc([C@H]2CCN(c3cccnc3Oc3ccc(Nc4ccccn4)cc3)C2)n1	ZINC000138953568	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1	ZINC000139039627	HJ	Annotated	Anodyne	
CCOC(=O)[C@H]1CCCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1	ZINC000139039745	HJ	Annotated	Anodyne	
CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1ccco1)c1ccc(F)cc1	ZINC000139051480	HJ	Annotated	Anodyne	 
CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1ccco1)c1ccc(F)cc1	ZINC000139051574	HJ	Annotated	Anodyne	 
CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1cccc2c1CCCC2)C1CC1	ZINC000139057929	HJ	Annotated	Anodyne	 
CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1cccc2c1CCCC2)C1CC1	ZINC000139058055	HJ	Annotated	Anodyne	 
C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@H](OC(C)=O)C[C@H]1[C@H](C)C[C@H](C=C(C)C)OC(C)=O	ZINC000139069406	HJ	Annotated	Anodyne	
CCCCCCCCCCCCCC[C@H](OC(C)=O)[C@@]1(O)C(=O)C=C[C@@H]1OC(C)=O	ZINC000139075186	HJ	Annotated	Mild	
CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@@H](C)CC)=C3C2=CO1	ZINC000139120119	HJ	Annotated	Mild	
FC(F)(F)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1	ZINC000139355419	HJ	Annotated	Anodyne	 
O=C(NCCc1ccccc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1	ZINC000139418691	HJ	Annotated	Anodyne	
C=C1CC/C=C(\C)CC[C@@H]2C([C@H](C[C@H]3OC3(C)C)OC(C)=O)=CO[C@@H](OC(C)=O)[C@@H]12	ZINC000139460354	HJ	Annotated	Mild	
C=C1CC/C=C(/C)CC[C@H](/C(=C\C=C\C(C)(C)O)COC(C)=O)[C@H]1C(OC)OC	ZINC000139460845	HJ	Annotated	Mild	
CC(=O)O[C@H]1C/C(C)=C\C(=O)C[C@@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12	ZINC000139507514	HJ	Annotated	Mild	
CC(=O)OC/C=C(/C)CCC1=C(C)[C@H](OC(C)=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]12C	ZINC000139556861	HJ	Annotated	Anodyne	
CC(=O)O[C@H]1C(C)=C(CC/C(C)=C\CO)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1OC(C)=O	ZINC000139557114	HJ	Annotated	Anodyne	
C[C@@H]1[C@@H]2[C@@H](O)C[C@@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12	ZINC000139581657	HJ	Annotated	Anodyne	 
Clc1cc(=[N+]2CCCC2)cc2sc3cc(N4CCCC4)cc(Cl)c3nc1-2	ZINC000139606443	HJ	Annotated	Bother	in-vivo
CCOc1ccc(/N=C/c2c(-c3ccccc3)[n+](=O)c3ccc(OC)cc3n2O)cc1	ZINC000139702821	HJ	Annotated	Mild	 
CC[C@@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)OC(=O)C(C(C)=O)=C3C2=CO1	ZINC000139884561	HJ	Annotated	Mild	
CNc1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3c2)cc1	ZINC000139902219	HJ	Annotated	Anodyne	 
C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC/C(C)=C/C(=O)O[C@@H](CO)COC(C)=O	ZINC000139915076	HJ	Annotated	Mild	
C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC/C(C)=C/C(=O)O[C@H](CO)COC(C)=O	ZINC000139915199	HJ	Annotated	Mild	
CCCCCCCCCCCCC[C@@H]1CC(=O)NCCCNCCCNCCCN1	ZINC000014141373	HJ	Annotated	Mild	
CCCCCCCCCCCCC[C@H]1CC(=O)NCCCNCCCNCCCN1	ZINC000014141375	HJ	Annotated	Mild	
O=C(O)c1ccc([C@]23CC[C@H]4CCCC[C@@]4(OO2)[C@H](OCc2ccccc2)O3)cc1	ZINC000014164334	HJ	Annotated	Reactive	
C=C1[C@@H](C)CC[C@]2(C)c3c(C=O)cc(C(C)C)c(OC(C)=O)c3O[C@H](OC(C)=O)[C@@H]12	ZINC000014408063	HJ	Annotated	Mild	
COc1cc([C@H]2O[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc(OC)c1O	ZINC000014435644	HJ	Annotated	Anodyne	in-vitro biogenic
COc1cc([C@H]2O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc(OC)c1O	ZINC000014435648	HJ	Annotated	Anodyne	
COc1cc([C@@H]2O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc(O)c1OC	ZINC000014435653	HJ	Annotated	Anodyne	
COc1cc([C@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@@H](C)[C@@H]2C)cc(OC)c1OC	ZINC000014435658	HJ	Annotated	Anodyne	
COc1cc([C@@H]2O[C@H](c3cc(OC)c4c(c3)OCO4)[C@@H](C)[C@@H]2C)cc(OC)c1OC	ZINC000014435660	HJ	Annotated	Anodyne	in-vitro biogenic
COc1cc([C@H]2OC(c3cc(OC)c4c(c3)OCO4)=C(C)[C@@H]2C)cc(OC)c1OC	ZINC000014435665	HJ	Annotated	Anodyne	 
COC(=O)C(=O)c1c2ccc(Br)cc2n2ccc3c4ccccc4[nH]c3c12	ZINC000014440774	HJ	Annotated	Bother	 
CCCC(=O)c1c2c(c3oc(=O)cc([C@H](CC)OC(C)=O)c3c1O)C=CC(C)(C)O2	ZINC000014448230	HJ	Annotated	Anodyne	 
C[C@H](CO)CC(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)OC(C)(C)C=C2	ZINC000014455238	HJ	Annotated	Anodyne	 
O=C(CCCCCCCCCCc1ccc2c(c1)OCO2)C1=C(O)CC[C@H](O)C1=O	ZINC000014489989	HJ	Annotated	Mild	
FC(F)(F)c1ncccc1-c1nccnc1C1CN(c2ccc3ccccc3n2)C1	ZINC000140124919	HJ	Annotated	Anodyne	 
CCOc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1F	ZINC000140180677	HJ	Annotated	Anodyne	 
Cc1cc2c(cc1C(=O)c1ccccc1)[n+](=O)c1cc(Cl)c(Cl)cc1n2O	ZINC000140232079	HJ	Annotated	Anodyne	 
C[C@H]1OC(=O)C2=C1CC[C@@H]1[C@]2(C)[C@H](O)C[C@H]2[C@@]1(C)CC[C@H]1C(C)(C)CCC[C@@]12CO	ZINC000140250324	HJ	Annotated	Anodyne	
CCC(=O)[C@H](C)/C=C(\C)[C@H]1[C@]2(C)O[C@@H]2C(C)=C[C@@]1(C)c1oc(OC)c(C)c(=O)c1C	ZINC000140282753	HJ	Annotated	Anodyne	
CCC(=O)[C@H](C)/C=C(\C)[C@@H]1[C@]2(C)O[C@@H]2C(C)=C[C@@]1(C)c1oc(OC)c(C)c(=O)c1C	ZINC000140282919	HJ	Annotated	Anodyne	
C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccccc3F)n2)C1	ZINC000140303160	HJ	Annotated	Anodyne	
C=C(CCC=C(C)C)[C@H](O)Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O	ZINC000140336896	HJ	Annotated	Mild	
C=C(CCC=C(C)C)[C@@H](O)Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O	ZINC000140337046	HJ	Annotated	Mild	 
Cc1cc(O)cc(C[C@@]2(C)[C@@H](C)CC[C@@]3(C)[C@H](CCC(=O)O)C(=O)CC[C@H]23)c1O	ZINC000140371481	HJ	Annotated	Anodyne	
C#C/C=C\[C@H](Cl)[C@@H](OC(C)=O)[C@H]1CC=C(Cl)C[C@H](Br)[C@@H](CC)O1	ZINC000140478744	HJ	Annotated	Reactive	
CC(=O)O[C@@H]1C=C(C)[C@@H]2[C@@H]3C/C(C)=C\CC[C@@](C)(OC(C)=O)[C@@H](O3)[C@@H]2[C@H]1C(C)C	ZINC000140506464	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2CCCn3c(-c4ccc(-c5cnc(C)o5)c(OC)c4)nnc32)cc1	ZINC000140517695	HJ	Annotated	Anodyne	 
COc1ccc([C@H]2CCCn3c(-c4ccc(-c5cnc(C)o5)c(OC)c4)nnc32)cc1	ZINC000140517841	HJ	Annotated	Anodyne	 
COc1cc(-c2nnc3n2CCC[C@H]3c2ccc(F)cc2)ccc1-c1cnc(C)o1	ZINC000140542302	HJ	Annotated	Anodyne	 
COc1cc(-c2nnc3n2CCC[C@@H]3c2ccc(F)cc2)ccc1-c1cnc(C)o1	ZINC000140542490	HJ	Annotated	Anodyne	 
CC(C)=CC[C@@]12CCN(C)[C@@H]1Nc1c(Br)cc(Br)c(O)c12	ZINC000140596518	HJ	Annotated	Anodyne	
CCC(CC)COc1ccc([C@H](CO)NC(=O)[C@H]2C[C@@H]2c2cccs2)c(C)c1	ZINC000140607519	HJ	Annotated	Anodyne	 
c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(C4CCOCC4)cc3)c2n1	ZINC000140614246	HJ	Annotated	Anodyne	
CC(=O)OC/C1=C\C[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2C[C@@H](OC(C)=O)/C(C)=C/CC1	ZINC000140620099	HJ	Annotated	Anodyne	
C=C(C(=O)O)[C@H]1CC[C@H](CC[C@@H](O)[C@](C)(O)CC/C=C(\C)CCC=C(C)C)CO1	ZINC000140686092	HJ	Annotated	Mild	
C[C@@H]1CC[C@H]2[C@H](C)C3=C(CN2C1)[C@@H]1C[C@H]2[C@@H](CC(=O)[C@H]4C[C@@H](O)CC[C@@]42C)[C@@H]1CC3	ZINC000140809640	HJ	Annotated	Anodyne	 
C=C(C)[C@H]1CC/C(C)=C/C/C=C(/C)[C@H](O)CC/C(COC(C)=O)=C\[C@@H]1OC(C)=O	ZINC000140874387	HJ	Annotated	Mild	
C=C(C)[C@H](O)CC/C(C)=C/Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)c(O)c2)c1O	ZINC000140913244	HJ	Annotated	Mild	
C/C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN3CCC(Cc4ccccc4)CC3)[C@@H]2CC1	ZINC000141173690	HJ	Annotated	Anodyne	
CCC[C@@H](C)COc1ccc([C@H](CO)NC(=O)[C@H]2C[C@@H]2c2cccs2)c(C)c1	ZINC000141257188	HJ	Annotated	Anodyne	 
COc1cc(-c2ccc(C)cc2)ccc1[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1cccs1	ZINC000141328592	HJ	Annotated	Anodyne	 
CCc1ccc(-c2ccc([C@H](CO)NC(=O)[C@H]3C[C@@H]3c3cccs3)c(OC)c2)cc1	ZINC000141350446	HJ	Annotated	Anodyne	 
CC(C)(C)NC(=O)[C@H]1c2cc(C#N)ccc2C(=O)N1Cc1ccccc1-c1ccccc1	ZINC000141431443	HJ	Annotated	Anodyne	 
CC(C)(C)NC(=O)[C@@H]1c2cc(C#N)ccc2C(=O)N1Cc1ccccc1-c1ccccc1	ZINC000141431634	HJ	Annotated	Anodyne	 
COc1ccc(C[C@H]2C[N+]3=C(NC[C@@H]3C3CCCCC3)N2CC2CCC(C)CC2)cc1	ZINC000141596138	HJ	Annotated	Anodyne	
COc1ccc(C[C@@H]2C[N+]3=C(NC[C@H]3C3CCCCC3)N2CC2CCC(C)CC2)cc1	ZINC000141598464	HJ	Annotated	Anodyne	
COc1ccc(C[C@@H]2C[N+]3=C(NC[C@@H]3C3CCCCC3)N2CC2CCC(C)CC2)cc1	ZINC000141598665	HJ	Annotated	Anodyne	
COc1ccc(C[C@H]2C[N+]3=C(NC[C@H]3C3CCCCC3)N2CC2CCC(C)CC2)cc1	ZINC000141604056	HJ	Annotated	Anodyne	
C[C@@H]1OC(=O)[C@H]2[C@H]1[C@@H](O)C[C@@H]1[C@]2(C)C(=O)C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C	ZINC000141615300	HJ	Annotated	Anodyne	
Brc1cc(Br)c2nc(SCCN3CCCCC3)[nH]c2c1	ZINC000141653941	HJ	Annotated	Anodyne	
Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1	ZINC000141696639	HJ	Annotated	Anodyne	 
CO[C@@H]1O[C@@]2(OC)CC[C@@H](C)[C@H]2[C@H]2[C@H]1[C@H](OC(C)=O)C[C@H]2/C(C)=C\CC=C(C)C	ZINC000141783193	HJ	Annotated	Anodyne	
Cc1nc(N[C@H](C)c2cccc(-n3ccnn3)c2)cc(-c2ccc3ncsc3c2)n1	ZINC000141799957	HJ	Annotated	Anodyne	 
Cc1nc(N[C@@H](C)c2cccc(-n3ccnn3)c2)cc(-c2ccc3ncsc3c2)n1	ZINC000141800140	HJ	Annotated	Anodyne	 
Cc1nc(N[C@H](C)c2cccc(-n3cnnc3)c2)cc(-c2ccc3ncsc3c2)n1	ZINC000141807326	HJ	Annotated	Anodyne	 
Cc1nc(N[C@@H](C)c2cccc(-n3cnnc3)c2)cc(-c2ccc3ncsc3c2)n1	ZINC000141807508	HJ	Annotated	Anodyne	 
Cc1nc(N[C@H](C)c2cccc(-n3cnnn3)c2)cc(-c2ccc3occ(C)c3c2)n1	ZINC000141867894	HJ	Annotated	Anodyne	 
Cc1nc(N[C@@H](C)c2cccc(-n3cnnn3)c2)cc(-c2ccc3occ(C)c3c2)n1	ZINC000141868102	HJ	Annotated	Anodyne	 
Cc1nc(N[C@H](C)c2cccc(OCCCO)c2)cc(-c2ccc3ncsc3c2)n1	ZINC000141879637	HJ	Annotated	Anodyne	 
Cc1nc(N[C@@H](C)c2cccc(OCCCO)c2)cc(-c2ccc3ncsc3c2)n1	ZINC000141879821	HJ	Annotated	Anodyne	 
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC(=O)[C@]4(C)[C@H]5C(=O)C=C(C)C[C@H]5C[C@H]4[C@@H]3CC[C@@H]2C1	ZINC000141882516	HJ	Annotated	Mild	
Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3c(c2)CCO3)n1	ZINC000142033116	HJ	Annotated	Anodyne	 
Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3c(c2)CCO3)n1	ZINC000142033312	HJ	Annotated	Anodyne	 
C[C@H](Nc1nc(F)cc(N2C(=O)OCC2(C)C)n1)c1ccc(C(F)(F)F)cc1F	ZINC000142066207	HJ	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccccn3)cc2)n1	ZINC000142089412	HJ	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CNC(C)(C)C)cc2)n1	ZINC000142111374	HJ	Annotated	Anodyne	 
CN(Cc1cn([C@@H]2CCCC[C@H]2OC(=O)c2ccccc2)nn1)CC1CCCCC1	ZINC000142111746	HJ	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3ccccc3)nc2)n1	ZINC000142126907	HJ	Annotated	Anodyne	 
CN(Cc1cn([C@@H]2CCCC[C@H]2OC(=O)Cc2ccccc2)nn1)CC1CCCCC1	ZINC000142131748	HJ	Annotated	Anodyne	 
CCOC1(c2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)CC1	ZINC000142135165	HJ	Annotated	Anodyne	 
O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccco1	ZINC000142194413	HJ	Annotated	Anodyne	
Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc3c2ccn3CC(C)C)nc1	ZINC000142240191	HJ	Annotated	Anodyne	 
COc1cccc(N[C@@H](CC(C)C)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)c1	ZINC000142289072	HJ	Annotated	Anodyne	 
COc1cccc(N[C@H](CC(C)C)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)c1	ZINC000142289257	HJ	Annotated	Anodyne	 
O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)C1CCC1	ZINC000142316219	HJ	Annotated	Anodyne	
C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C[C@]2(C)[C@H](C/C=C(/C)COC(C)=O)OC(C)=O	ZINC000142357623	HJ	Annotated	Mild	
Cc1nc(N[C@H](C)c2cccc(OCC(N)=O)c2)cc(-c2ccc3occ(C)c3c2)n1	ZINC000142381919	HJ	Annotated	Anodyne	 
Cc1nc(N[C@@H](C)c2cccc(OCC(N)=O)c2)cc(-c2ccc3occ(C)c3c2)n1	ZINC000142382135	HJ	Annotated	Anodyne	 
C=C1CC[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@@]23C)[C@H]1C(=O)OC[C@H](CO)OC(C)=O	ZINC000142451080	HJ	Annotated	Mild	
Oc1ccc(-c2cc(-c3ccc(O)c(O)c3)c(-c3ccc(O)c(O)c3)s2)cc1O	ZINC000142483627	HJ	Annotated	Anodyne	 
CC(C)NC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1	ZINC000142505321	HJ	Annotated	Anodyne	
CC1=C[C@@](C)(O)[C@@H](C)O[C@H]1/C(C)=C/C=C/C=C/C=C/C=C/[C@]1(C)C=C(CO)C(=O)[C@@H]1C	ZINC000142517642	HJ	Annotated	Mild	
CO[C@@H]1O[C@@]2(OC)C=C[C@@H](C)[C@H]2[C@H]2[C@H]1[C@H](OC(C)=O)C[C@H]2/C(C)=C\CC=C(C)C	ZINC000142552950	HJ	Annotated	Anodyne	
CCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1	ZINC000142568664	HJ	Annotated	Anodyne	 
Cn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1	ZINC000142571576	HJ	Annotated	Anodyne	 
Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)s1)OC(F)(F)O2	ZINC000142575667	HJ	Annotated	Anodyne	 
Cn1nc(-c2nccs2)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1	ZINC000142585108	HJ	Annotated	Anodyne	 
Cn1nc(C(F)(F)F)cc1-c1sc(C(=O)Nc2ccccc2Cl)cc1N	ZINC000142601640	HJ	Annotated	Anodyne	 
COC[C@@H](C)NC(=O)c1cc(NC(=O)c2cccs2)cc(-c2ccc(C)cc2)c1	ZINC000142609598	HJ	Annotated	Anodyne	 
COC[C@H](C)NC(=O)c1cc(NC(=O)c2cccs2)cc(-c2ccc(C)cc2)c1	ZINC000142609803	HJ	Annotated	Anodyne	 
COC[C@@H](C)NC(=O)c1cc(NC(=O)c2ccccc2)cc(-c2ccc(C)cc2)c1	ZINC000142610274	HJ	Annotated	Anodyne	 
COC[C@H](C)NC(=O)c1cc(NC(=O)c2ccccc2)cc(-c2ccc(C)cc2)c1	ZINC000142610477	HJ	Annotated	Anodyne	 
COC[C@@H](C)NC(=O)c1cc(NC(=O)C2CCCCC2)cc(-c2ccc(C)cc2)c1	ZINC000142612010	HJ	Annotated	Anodyne	 
COC[C@H](C)NC(=O)c1cc(NC(=O)C2CCCCC2)cc(-c2ccc(C)cc2)c1	ZINC000142612232	HJ	Annotated	Anodyne	 
Cc1ccc(-c2cc(NC(=O)C(C)C)cc(C(=O)N[C@@H](C)c3cnccn3)c2)cc1	ZINC000142649872	HJ	Annotated	Anodyne	 
Cc1ccc(-c2cc(NC(=O)C(C)C)cc(C(=O)N[C@H](C)c3cnccn3)c2)cc1	ZINC000142650035	HJ	Annotated	Anodyne	 
C=C[C@](C)(O)CCC1=C(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]12C	ZINC000142651757	HJ	Annotated	Anodyne	in-man
Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2c(F)cncc2F)s1	ZINC000142660915	HJ	Annotated	Anodyne	 
Cn1nc(-c2nccs2)cc1-c1ccc(C(=O)Nc2ncc(Cl)cc2F)s1	ZINC000142666572	HJ	Annotated	Anodyne	 
Cn1nc(-c2ccco2)cc1-c1ccc(C(=O)Nc2ncc(Cl)cc2F)s1	ZINC000142669632	HJ	Annotated	Anodyne	 
CCC(=O)[C@H](C)/C=C(\C)[C@H]1[C@H](C)C(=O)[C@@]2(C)[C@@H]1[C@]2(C)c1oc(OC)c(C)c(=O)c1C	ZINC000142680061	HJ	Annotated	Anodyne	
C[C@@H](c1ccc(Br)cc1)N1CCC2(OC1=O)[C@@H]1CC3C[C@@H]2CC(O)(C3)C1	ZINC000142703845	HJ	Annotated	Anodyne	
C[C@@H](c1ccc(Br)cc1)N1CCC2(OC1=O)[C@H]1CC3C[C@H]2CC(O)(C3)C1	ZINC000142704448	HJ	Annotated	Anodyne	
C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1	ZINC000142827123	HJ	Annotated	Anodyne	
C[C@H]1CCC[C@@H](C)N1NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1	ZINC000142827341	HJ	Annotated	Anodyne	
C[C@H]1CCC[C@H](C)N1NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1	ZINC000142827562	HJ	Annotated	Anodyne	
Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1	ZINC000142907222	HJ	Annotated	Anodyne	 
Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(N(C)C(=O)C(C)C)c2)cc1	ZINC000142953568	HJ	Annotated	Anodyne	 
Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnccn3)cc(N(C)C(=O)C(C)C)c2)cc1	ZINC000142953772	HJ	Annotated	Anodyne	 
COc1cc(-c2cc(=O)n3ncc(-c4nc5ccccc5s4)c3[nH]2)ccc1Cl	ZINC000143012448	HJ	Annotated	Anodyne	 
CC(C)(C)NC(=O)[C@H]1c2ccc(C#N)cc2C(=O)N1Cc1ccccc1-c1ccccc1	ZINC000143132980	HJ	Annotated	Anodyne	 
CC(C)(C)NC(=O)[C@@H]1c2ccc(C#N)cc2C(=O)N1Cc1ccccc1-c1ccccc1	ZINC000143133194	HJ	Annotated	Anodyne	 
Cc1onc(-c2ccc(Cl)cc2F)c1COc1ccc(C(=O)NC(C)C)cn1	ZINC000143165347	HJ	Annotated	Anodyne	
COc1cc(-c2cc(=O)n3ncc(-c4ncc(-c5ccccc5)o4)c3[nH]2)ccc1Cl	ZINC000143209516	HJ	Annotated	Anodyne	 
Cc1c2n(c(=O)c3cc(OC(=O)C(C)(C)C)cc(OC(=O)C(C)(C)C)c13)CCCC2	ZINC000143216173	HJ	Annotated	Anodyne	
O=C(NC1Cc2ccccc2C1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1	ZINC000143218362	HJ	Annotated	Anodyne	
CC(C)(C)n1cc(-c2cc(CO)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1	ZINC000143278141	HJ	Annotated	Anodyne	
CC(C)(C)n1cc(-c2cc(CO)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1	ZINC000143278364	HJ	Annotated	Anodyne	
CC(C)(C)NC(=O)[C@H]1c2ccc(O)cc2C(=O)N1Cc1ccccc1-c1ccccc1	ZINC000143318367	HJ	Annotated	Anodyne	 
CC(C)(C)NC(=O)[C@@H]1c2ccc(O)cc2C(=O)N1Cc1ccccc1-c1ccccc1	ZINC000143318550	HJ	Annotated	Anodyne	 
CN(CCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)C(=O)OC(C)(C)C	ZINC000143332416	HJ	Annotated	Anodyne	
CN(CCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)C(=O)OC(C)(C)C	ZINC000143332650	HJ	Annotated	Anodyne	
CC(C)=CCC/C(C)=C/[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3C[C@@H](O)C(C)=C[C@H]3O2)O1	ZINC000143334811	HJ	Annotated	Anodyne	
CC(C)=CCC/C(C)=C/[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3C[C@H](O)C(C)=C[C@H]3O2)O1	ZINC000143363842	HJ	Annotated	Anodyne	
C[C@@]1(CF)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccc(Cl)cc2O1	ZINC000143365625	HJ	Annotated	Anodyne	 
C[C@@]1(C(F)(F)F)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccccc2O1	ZINC000143387352	HJ	Annotated	Anodyne	 
CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(C)C3)c2ccccc2O1	ZINC000143407118	HJ	Annotated	Anodyne	 
CC1(C)C=Cc2c(ccc3c2OC[C@H]2c4ccc5c(c4O[C@@H]32)C[C@@H](O)C(C)(C)O5)O1	ZINC000143419804	HJ	Annotated	Anodyne	
C[C@]1(CF)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccc(Cl)cc2O1	ZINC000143452008	HJ	Annotated	Anodyne	 
O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc2oc3c(c2c1)[C@H]1CC[C@@H](C3)N1	ZINC000143452412	HJ	Annotated	Anodyne	 
CN1Cc2ccc(NC(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)cc2NC1=O	ZINC000143467121	HJ	Annotated	Anodyne	 
O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc2c3c(oc2c1)C[C@H]1CC[C@H]3N1	ZINC000143516522	HJ	Annotated	Anodyne	 
CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)N(C)C(=O)CC3)c2ccccc2O1	ZINC000143517580	HJ	Annotated	Anodyne	 
N#Cc1ccc(CN2C(=O)c3cccc(Cl)c3[C@@]2(O)c2ccc(Cl)cc2)cc1	ZINC000143520868	HJ	Annotated	Mild	
N#Cc1ccc(CN2C(=O)c3cccc(Cl)c3[C@]2(O)c2ccc(Cl)cc2)cc1	ZINC000143521055	HJ	Annotated	Mild	
C[C@]1(C(F)(F)F)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccccc2O1	ZINC000143604261	HJ	Annotated	Anodyne	 
O=S(=O)(c1cccc(C(F)(F)F)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3	ZINC000143671577	HJ	Annotated	Anodyne	 
CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC4=C(C(=O)O[C@H](C)[C@H]4C)[C@H]3C2=CO1	ZINC000143750920	HJ	Annotated	Mild	
COc1cncc(-c2ccc3c(c2)nc(-c2cccc(C(N)=O)c2)n3C(C)(C)C)c1	ZINC000143820898	HJ	Annotated	Anodyne	
c1cc2cc(-c3ccc4cc(C5=NCCCN5)[nH]c4c3)sc2cc1C1=NCCCN1	ZINC000143826569	HJ	Annotated	Anodyne	 
CC1(C)CCC(N2[C@H]3CCC[C@@H]2C[C@H](n2c(=O)c(C(=O)O)nc4ccccc42)C3)CC1	ZINC000143925558	HJ	Annotated	Anodyne	
C=C[C@]1(C)C(Cl)=C[C@@H]2C(=O)[C@]1(N=C=S)c1cccc3c1[C@H](C(=O)N3C)C2(C)C	ZINC000143980626	HJ	Annotated	Reactive	
O=C1N(c2cc(C(F)(F)F)nc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1	ZINC000144033203	HJ	Annotated	Anodyne	 
CCN(C(=O)OC)c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1	ZINC000144142184	HJ	Annotated	Anodyne	 
CCN(C(=O)OC)c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1	ZINC000144142402	HJ	Annotated	Anodyne	 
N#Cc1ccc(CN2C(=O)c3c(Cl)cccc3[C@@]2(O)c2ccc(Cl)cc2)cc1	ZINC000144166836	HJ	Annotated	Mild	
N#Cc1ccc(CN2C(=O)c3c(Cl)cccc3[C@]2(O)c2ccc(Cl)cc2)cc1	ZINC000144167018	HJ	Annotated	Mild	
CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2cccc(F)c2O1	ZINC000144203436	HJ	Annotated	Anodyne	 
CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)cc21	ZINC000144248078	HJ	Annotated	Anodyne	 
Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1	ZINC000144305400	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)[C@H]2CCCO2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1	ZINC000144305615	HJ	Annotated	Anodyne	
Cc1cc([C@@H](O)C(F)(F)F)ncc1-c1ccc2cc(NC(=O)C(C)C)ncc2c1	ZINC000144338500	HJ	Annotated	Anodyne	
Cc1cc([C@H](O)C(F)(F)F)ncc1-c1ccc2cc(NC(=O)C(C)C)ncc2c1	ZINC000144338706	HJ	Annotated	Anodyne	
Cc1cc([C@@H](O)C(F)(F)F)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1	ZINC000144351945	HJ	Annotated	Anodyne	
Cc1cc([C@H](O)C(F)(F)F)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1	ZINC000144352159	HJ	Annotated	Anodyne	
CCCCc1ncc(/C(Cc2ccc(C(=O)O)cc2)=C(\Cc2cccs2)C(=O)O)[nH]1	ZINC000144379637	HJ	Annotated	Anodyne	
CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(F)c(Cl)cc21	ZINC000144398128	HJ	Annotated	Anodyne	 
N#Cc1ccc2nc(NC3CC3)c(N3CCC(Cc4ccc(F)cc4F)CC3)nc2c1	ZINC000144401915	HJ	Annotated	Anodyne	 
COC(C)(C)C(=O)Nc1ccc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1	ZINC000144403722	HJ	Annotated	Anodyne	
CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2cc(F)ccc2O1	ZINC000144420895	HJ	Annotated	Anodyne	 
COc1cnc2ccc([C@H](C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)cc2c1	ZINC000144486966	HJ	Annotated	Anodyne	 
COc1cc2c(cc1OC)C(c1sc3cc(OC)c(OC)cc3c1Cl)=NCC2	ZINC000144694886	HJ	Annotated	Anodyne	 
Cc1cc(-c2nnn[nH]2)c2nc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)[nH]c2c1	ZINC000144709247	HJ	Annotated	Anodyne	 
NC(=O)c1ccc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cc1Cl	ZINC000144762449	HJ	Annotated	Anodyne	
NC(=O)c1ccc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cc1Cl	ZINC000144762678	HJ	Annotated	Anodyne	
O=C(O)CCCCOc1cc(Cl)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2	ZINC000144829430	HJ	Annotated	Anodyne	
O=C(O)CCCCOc1cc(Cl)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2	ZINC000144829629	HJ	Annotated	Anodyne	
CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccn1)c1ccc(OCC2CCC2)cc1	ZINC000144888793	HJ	Annotated	Anodyne	 
CC(C)(C)NC(=O)[C@H]1c2c(O)cccc2C(=O)N1Cc1ccccc1-c1ccccc1	ZINC000144900901	HJ	Annotated	Anodyne	 
CC(C)(C)NC(=O)[C@@H]1c2c(O)cccc2C(=O)N1Cc1ccccc1-c1ccccc1	ZINC000144901095	HJ	Annotated	Anodyne	 
CC(C)(C)n1cc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2cccc(CO)c2-3)cn1	ZINC000144906267	HJ	Annotated	Anodyne	
CC(C)(C)n1cc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2cccc(CO)c2-3)cn1	ZINC000144906475	HJ	Annotated	Anodyne	
C[C@H](Nc1nccc(Nc2cc(C3CC(F)(F)C3)[nH]n2)n1)c1ccc2[nH]ccc2n1	ZINC000144908424	HJ	Annotated	Anodyne	 
CC(C)Cc1cc(-c2cnn(CCO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2	ZINC000144913824	HJ	Annotated	Anodyne	
CC(C)Cc1cc(-c2cnn(CCO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2	ZINC000144914016	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C1=N[C@H](CC(C)=O)[C@@H](CC(C)=O)c3c([nH]c4ccccc34)C1=N2	ZINC000014515671	HJ	Annotated	Anodyne	 
Cc1c(O)c(C(=O)CCc2ccccc2)c2oc(=O)cc(-c3ccccc3)c2c1O	ZINC000014556211	HJ	Annotated	Anodyne	 
CCC[C@@H](CC(=O)OC)c1c2c(c(O)c3c1O[C@@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2	ZINC000014557643	HJ	Annotated	Anodyne	in-vitro biogenic
CCC[C@H](CC(=O)OC)c1c2c(c(O)c3c1O[C@@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2	ZINC000014557645	HJ	Annotated	Anodyne	
CCC[C@H](CC(=O)OC)c1c2c(c(O)c3c1O[C@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2	ZINC000014557651	HJ	Annotated	Anodyne	
C[C@@H]1Oc2c3c(c(/C(=C\C(=O)O)c4ccccc4)c(O)c2C(=O)[C@@H]1C)OC(C)(C)C=C3	ZINC000014558137	HJ	Annotated	Anodyne	 
C[C@H]1Oc2c3c(c(/C(=C\C(=O)O)c4ccccc4)c(O)c2C(=O)[C@@H]1C)OC(C)(C)C=C3	ZINC000014558140	HJ	Annotated	Anodyne	 
C[C@@H]1Oc2c3c(c(/C(=C\C(=O)O)c4ccccc4)c(O)c2C(=O)[C@H]1C)OC(C)(C)C=C3	ZINC000014558143	HJ	Annotated	Anodyne	 
C[C@@H]1C(=O)c2c(O)c(/C(=C\C(=O)O)c3ccccc3)c3c(c2O[C@@H]1C)C=CC(C)(C)O3	ZINC000014558146	HJ	Annotated	Anodyne	 
C=C[C@@](C)(CCC=C(C)C)c1ccc2c3c(c[nH]c13)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2	ZINC000014583938	HJ	Annotated	Mild	
C=CC(C)(C)c1c2c(c(O)c3c(=O)c4c(O)cc(O)c(OC)c4oc13)C=CC(C)(C)O2	ZINC000014584519	HJ	Annotated	Mild	in-vitro biogenic
C=C(C)[C@H](O)Cc1c(O)c(C(=O)[C@H](C)CC)c(O)c2c(-c3ccccc3)cc(=O)oc12	ZINC000014585956	HJ	Annotated	Mild	 
C=C(C)[C@H](O)Cc1c(O)c(C(=O)[C@@H](C)CC)c(O)c2c(-c3ccccc3)cc(=O)oc12	ZINC000014585958	HJ	Annotated	Mild	in-vitro biogenic
C=C(C)[C@H](O)Cc1c(O)c(C(=O)CC(C)C)c2oc(=O)cc(-c3ccccc3)c2c1O	ZINC000014585995	HJ	Annotated	Mild	 
CCCC(=O)c1c(O)c(CC=C(C)C)c(O)c2c([C@H](CC)OC(C)=O)cc(=O)oc12	ZINC000014586084	HJ	Annotated	Anodyne	 
CC[C@@H](OC(C)=O)c1cc(=O)oc2c(C(=O)C(C)C)c(O)c(CC=C(C)C)c(O)c12	ZINC000014586090	HJ	Annotated	Anodyne	 
CCCC(=O)c1c(O)c2c(c3c([C@H](CC)OC(C)=O)cc(=O)oc13)OC(C)(C)C=C2	ZINC000014586139	HJ	Annotated	Anodyne	 
CC[C@@H](OC(C)=O)c1cc(=O)oc2c(C(=O)C(C)C)c(O)c3c(c12)OC(C)(C)C=C3	ZINC000014586140	HJ	Annotated	Anodyne	 
C[C@H](CO)CC(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C=CC(C)(C)O2	ZINC000014586147	HJ	Annotated	Anodyne	 
C=C(C)[C@H](O)Cc1c(O)c(C(=O)CC(C)C)c(O)c2c(-c3ccccc3)cc(=O)oc12	ZINC000014586153	HJ	Annotated	Mild	 
C=C(C)[C@@H](O)Cc1c(O)c(C(=O)CC(C)C)c(O)c2c(-c3ccccc3)cc(=O)oc12	ZINC000014586154	HJ	Annotated	Mild	 
C=CC(C)(C)c1cc([C@@H]2COc3c(ccc(O)c3CCC(C)(C)O)C2)c(O)cc1O	ZINC000014586783	HJ	Annotated	Mild	 
C=C(C)c1nc(-c2nc(/C=C/[C@H](OC)[C@@H](C)/C(=C\C(=O)OC)OC)cs2)cs1	ZINC000014588159	HJ	Annotated	Mild	 
Oc1ccc2nc3ccccc3nc2c1Cc1c(O)ccc2nc3ccccc3nc12	ZINC000014591181	HJ	Annotated	Bother	 
COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)C[C@]1(C)CCCN1C3	ZINC000014593898	HJ	Annotated	Bother	 
COc1cc(OC)c([C@@H]2[C@@H](C)[C@@H](C)[C@@H]2c2cc(OC)c3c(c2)OCO3)cc1OC	ZINC000014610323	HJ	Annotated	Anodyne	in-vitro biogenic
C=CC/C=C/Cc1csc(C(C)(C)[C@@H](O)C/C=C\C(=C)CCNC(=O)OC)n1	ZINC000014611715	HJ	Annotated	Mild	 
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H]1O[C@@H]2[C@@H](C)[C@@H]1C	ZINC000014612967	HJ	Annotated	Anodyne	
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H]1O[C@H]2[C@@H](C)[C@@H]1C	ZINC000014612968	HJ	Annotated	Anodyne	
CC(C)C(=O)c1c(O)c2c(-c3ccccc3)cc(=O)oc2c2cc(C(C)(C)O)oc12	ZINC000014616141	HJ	Annotated	Anodyne	in-vitro
COc1ccc2c(c1O)-c1c(OC)cc(O)c3c1[C@H]1[C@H](CC3=O)c3ccccc3O[C@H]21	ZINC000014617085	HJ	Annotated	Anodyne	in-vitro biogenic
CC(C)(O)CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2	ZINC000014618655	HJ	Annotated	Anodyne	 
C=C(C)[C@H](O)Cc1cc(/C=C/C(=O)c2ccc(O)c(CC=C(C)C)c2O)ccc1O	ZINC000014637350	HJ	Annotated	Mild	 
C=C(C)[C@@H](O)Cc1cc(/C=C/C(=O)c2ccc(O)c(CC=C(C)C)c2O)ccc1O	ZINC000014637352	HJ	Annotated	Mild	 
C=C(C)[C@H](O)Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)c(CC=C(C)C)c2)c1O	ZINC000014637354	HJ	Annotated	Mild	 
C=C(C)[C@@H](O)Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)c(CC=C(C)C)c2)c1O	ZINC000014637356	HJ	Annotated	Mild	 
COc1ccc([C@@H]2O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc1OC	ZINC000014641918	HJ	Annotated	Anodyne	
COc1ccc([C@H]2O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc1OC	ZINC000014641921	HJ	Annotated	Anodyne	
COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2cc1OC)C[C@H]1CCCN1C3	ZINC000014649159	HJ	Annotated	Bother	 
CC1(C)CCc2c(c3c(c4c2OC(=O)C[C@H]4c2ccc(O)c(O)c2)OC(C)(C)CC3)O1	ZINC000014676647	HJ	Annotated	Clean	 
COc1cc2oc3cc(O)c4c(c3c(=O)c2c2c1CCC(C)(C)O2)CCC(C)(C)O4	ZINC000014681537	HJ	Annotated	Bother	 
CCC[C@H](CC(=O)O)c1c(O)c2c(c(CC=C(C)C)c1OC)O[C@H](C)[C@H](C)C2=O	ZINC000014685289	HJ	Annotated	Anodyne	 
COC(=O)Cc1cc(O)c(C/C=C(\C)CC/C=C(\C)CC(=O)C=C(C)C)cc1O	ZINC000014687344	HJ	Annotated	Mild	 
CC1(C)C=Cc2c(c(C[C@H]3OC3(C)C)c3occ(-c4ccc(O)cc4)c(=O)c3c2O)O1	ZINC000014692084	HJ	Annotated	Anodyne	 
CC(C)(O)CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4)coc13)C=CC(C)(C)O2	ZINC000014692086	HJ	Annotated	Anodyne	 
CC1=C(Cc2cc(CO)cc(O)c2OS(=O)(=O)O)[C@@]2(C)CCCC(C)(C)[C@H]2CC1	ZINC000014710110	HJ	Annotated	Anodyne	 
C=C(C)[C@@H](O)CC[C@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3ccc(O)cc3)cc(O)c2O1	ZINC000014713380	HJ	Annotated	Mild	 
C=C(C)[C@H](O)CC[C@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3ccc(O)cc3)cc(O)c2O1	ZINC000014713383	HJ	Annotated	Mild	 
C=C(C)[C@@H](O)CC[C@@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3ccc(O)cc3)cc(O)c2O1	ZINC000014713386	HJ	Annotated	Mild	 
C=C(C)[C@H](O)CC[C@@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3ccc(O)cc3)cc(O)c2O1	ZINC000014713389	HJ	Annotated	Mild	 
CC(C)=CCC[C@@]1(C)Oc2ccc(C(=O)/C=C/c3ccc(O)cc3)c(O)c2C[C@H]1O	ZINC000014713398	HJ	Annotated	Mild	 
COc1cc(O)c(O)c2c1C(=O)O[C@@H]2CCCCCCCCC[C@@]1(O)CC[C@@H](C)O1	ZINC000014714545	HJ	Annotated	Clean	 
COc1cc(O)c(O)c2c1C(=O)O[C@@H]2CCCCCCCCC[C@]1(O)CC[C@@H](C)O1	ZINC000014714549	HJ	Annotated	Clean	 
COc1c([C@H](CC(C)C)OC)ccc(Oc2c(O)cc(C)cc2C=O)c1C(=O)O	ZINC000014721433	HJ	Annotated	Anodyne	 
COc1c([C@@H](CC(C)C)OC)ccc(Oc2c(O)cc(C)cc2C=O)c1C(=O)O	ZINC000014721435	HJ	Annotated	Anodyne	 
Cc1ccc2c(c1)-c1cc([C@H]3COc4cc(O)cc(O)c4C3=O)c(O)cc1OC2(C)C	ZINC000014765183	HJ	Annotated	Anodyne	 
C=C(C)c1cc2c(OC)c3c(O)c(-c4ccc(OC)cc4)c(=O)oc3c(OC)c2o1	ZINC000014766511	HJ	Annotated	Mild	 
COc1cc2oc3cc4c(c(O)c3c(=O)c2c2c1OC(C)(C)CC2)C=CC(C)(C)O4	ZINC000014766828	HJ	Annotated	Bother	in-man biogenic
CN(C)Cc1c(Br)n(C)c2cc(Br)c(Br)cc12	ZINC000014769643	HJ	Annotated	Anodyne	in-vitro
CCC(=O)[C@@H](C)/C=C(\C)C1=C(C)C(=O)C(C)=C[C@]1(C)c1oc(OC)c(C)c(=O)c1C	ZINC000014770897	HJ	Annotated	Mild	 
CCC(=O)[C@H](C)/C=C(\C)C1=C(C)C(=O)C(C)=C[C@]1(C)c1oc(OC)c(C)c(=O)c1C	ZINC000014770899	HJ	Annotated	Mild	 
C=C(C)[C@H](O)Cc1cc(/C=C/C(=O)c2ccc(O)cc2O)cc(CC=C(C)C)c1O	ZINC000014780707	HJ	Annotated	Mild	 
C=C(C)[C@@H](O)Cc1cc(/C=C/C(=O)c2ccc(O)cc2O)cc(CC=C(C)C)c1O	ZINC000014780710	HJ	Annotated	Mild	 
C=C(C)[C@H](O)Cc1cc(/C=C/C(=O)c2cc(CC=C(C)C)c(O)cc2O)ccc1O	ZINC000014780719	HJ	Annotated	Mild	 
C=C(C)[C@@H](O)Cc1cc(/C=C/C(=O)c2cc(CC=C(C)C)c(O)cc2O)ccc1O	ZINC000014780722	HJ	Annotated	Mild	 
C=C(C)[C@H](O)Cc1cc(C(=O)/C=C/c2ccc(O)c(CC=C(C)C)c2)c(O)cc1O	ZINC000014780725	HJ	Annotated	Mild	 
C=C(C)[C@@H](O)Cc1cc(C(=O)/C=C/c2ccc(O)c(CC=C(C)C)c2)c(O)cc1O	ZINC000014780728	HJ	Annotated	Mild	in-vitro biogenic
COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)C[N+]1([O-])CCC[C@@H]1C3	ZINC000014824716	HJ	Annotated	Bother	 
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)C[N+]1([O-])CCC[C@H]1C3	ZINC000014824785	HJ	Annotated	Bother	 
CC1(C)CCC[C@H]2COc3cc(O)c4c(=O)c(-c5ccc(O)c(O)c5)coc4c3C[C@H]21	ZINC000014825083	HJ	Annotated	Clean	 
CC1(C)C=Cc2cc(-c3coc4c5c(cc(O)c4c3=O)O[C@](C)(CO)C=C5)ccc2O1	ZINC000014825205	HJ	Annotated	Anodyne	 
CC1(C)C=Cc2cc(-c3coc4c5c(cc(O)c4c3=O)O[C@@](C)(CO)C=C5)ccc2O1	ZINC000014825207	HJ	Annotated	Anodyne	 
CC(C)=CCOc1c(C)cc2oc3c(C[C@@H]4OC4(C)C)ccc(O)c3c(=O)c2c1CO	ZINC000014827612	HJ	Annotated	Bother	in-vitro
CC(C)=CCOc1c(C)cc2oc3c(C[C@H]4OC4(C)C)ccc(O)c3c(=O)c2c1CO	ZINC000014827614	HJ	Annotated	Bother	in-vitro
COc1cc2c(cc1O)[C@@H]1C[C@H](C[C@@H]3CCCCN31)OC(=O)CCc1ccc(cc1)O2	ZINC000014828664	HJ	Annotated	Anodyne	
CC(=O)C[C@H]1C(=O)C(CO)=CC[C@](C)(CCC=C(C)C)[C@H]1/C=C/OC(=O)C=C(C)C	ZINC000014828797	HJ	Annotated	Mild	in-vitro biogenic
COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]1C2	ZINC000014858265	HJ	Annotated	Anodyne	in-man endogenous
COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]1C2	ZINC000014858266	HJ	Annotated	Anodyne	in-man
CC(C)=CCc1c(C)cc(O)c2c1[C@H](O)c1c(CC=C(C)C)c(O)cc(O)c1C2=O	ZINC000014883280	HJ	Annotated	Anodyne	 
C=C(C)[C@@H](O)CC/C(C)=C/Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O	ZINC000014884932	HJ	Annotated	Mild	 
C=C(C)[C@H](O)CC/C(C)=C/Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O	ZINC000014884934	HJ	Annotated	Mild	 
COC1=C(c2ccccc2)C2=C(c3ccc(O)cc3)C(=O)OC2=C(c2ccccc2)C1=O	ZINC000014885827	HJ	Annotated	Mild	 
O=C1OC2=C(c3ccccc3)C(=O)C3=C(C2=C1c1ccc(O)cc1)c1ccccc1CO3	ZINC000014885829	HJ	Annotated	Mild	 
CC(C)=CCc1c(O)c2c(c3c1OC(=O)C[C@H]3c1ccccc1)O[C@@H](C)[C@@H](C)C2=O	ZINC000014919297	HJ	Annotated	Anodyne	in-vitro biogenic
C[C@H]1Oc2c(c(O)c3c(c2[C@H](CC(=O)O)c2ccccc2)OC(C)(C)C=C3)C(=O)[C@@H]1C	ZINC000014922893	HJ	Annotated	Anodyne	
O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O[C@H]1CC(F)(F)F	ZINC000014943891	HJ	Annotated	Mild	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3[nH]c1c1c2c2cccc3c2n1CCC3	ZINC000014945575	HJ	Annotated	Bother	
O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1scnc1CCc1ccncc1	ZINC000014946551	HJ	Annotated	Anodyne	
C[C@H](N)C(=O)Nc1nc(-c2ccc(Br)cc2)c(-c2ccccc2)s1	ZINC000014951966	HJ	Annotated	Anodyne	
C[C@H](N)C(=O)Nc1nc(COc2cccc3ccccc23)c(Cc2ccccc2)s1	ZINC000014951989	HJ	Annotated	Anodyne	
N[C@H](CNc1cnc(Cl)c(/C=C/c2ccncc2)c1)C[C@@H]1CNc2ccccc21	ZINC000014957677	HJ	Annotated	Anodyne	
N[C@H](CNc1cnc(Cl)c(/C=C/c2ccncc2)c1)C[C@H]1CNc2ccccc21	ZINC000014957681	HJ	Annotated	Anodyne	
Cn1c(=O)n(C)c2cc(-c3[nH]c(-c4cccs4)nc3-c3ccccc3F)ccc21	ZINC000014958460	HJ	Annotated	Anodyne	
Cc1ccccc1-c1nc(-c2cccs2)[nH]c1-c1ccc2c(c1)n(C)c(=O)n2C	ZINC000014958490	HJ	Annotated	Anodyne	
Cc1cccc(-c2nc(-c3cccs3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)c1	ZINC000014958494	HJ	Annotated	Anodyne	
Cc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)cc1	ZINC000014958498	HJ	Annotated	Anodyne	
CCn1c(=O)n(CC)c2cc(-c3c[nH]nc3-c3cccc(C(F)(F)F)c3)ccc21	ZINC000014958541	HJ	Annotated	Anodyne	
CC1(C)[C@@H](Br)CC[C@]23CO[C@H](c4cc(Br)ccc4O2)[C@@H]13	ZINC000014966255	HJ	Annotated	Reactive	
O[C@@H](CNCc1ccccc1OCc1ccccc1)c1cc(Br)cs1	ZINC000014966885	HJ	Annotated	Anodyne	
O[C@H](CNCc1ccccc1OCc1ccccc1)c1cc(Br)cs1	ZINC000014966889	HJ	Annotated	Anodyne	
CSc1ccc(-c2cnccc2[C@@H]2CCC(F)(F)C[C@H]2C(=O)NCC#N)cc1	ZINC000014972352	HJ	Annotated	Mild	
CSc1ccc(-c2ncccc2[C@@H]2CCC(F)(F)C[C@H]2C(=O)NCC#N)cc1	ZINC000014972357	HJ	Annotated	Mild	
CC(C)N(CC[C@](CCN1[C@@H](C)CCC[C@@H]1C)(C(N)=O)c1ccccc1F)C(C)C	ZINC000145383940	HJ	Annotated	Anodyne	
CC(C)N(CC[C@](CCN1[C@@H](C)CCC[C@H]1C)(C(N)=O)c1ccccc1F)C(C)C	ZINC000145384156	HJ	Annotated	Anodyne	
c1ccc([C@@H]2CCc3cc(Oc4ncc(CN5CCOCC5)s4)ccc3O2)cc1	ZINC000145462485	HJ	Annotated	Anodyne	
c1ccc([C@H]2CCc3cc(Oc4ncc(CN5CCOCC5)s4)ccc3O2)cc1	ZINC000145462690	HJ	Annotated	Anodyne	
CN1CCN(Cc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)CC1	ZINC000145497554	HJ	Annotated	Anodyne	
CN1CCN(Cc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)CC1	ZINC000145497721	HJ	Annotated	Anodyne	
Clc1ccc(-c2nccnc2O[C@@H]2C[C@@H](Nc3nc4ccccc4s3)C2)cn1	ZINC000145906056	HJ	Annotated	Anodyne	 
Fc1cnc(O[C@@H]2C[C@@H](Nc3nc4ccc(F)cc4s3)C2)c(C2CCOCC2)c1	ZINC000146011122	HJ	Annotated	Anodyne	 
Fc1cnc(O[C@@H]2C[C@@H](Nc3nc4cccc(F)c4s3)C2)c(C2CCOCC2)c1	ZINC000146076549	HJ	Annotated	Anodyne	 
CCOC(=O)C1CCC2(CC1)CCN([C@@H](C)c1ccc(Br)cc1)C(=O)O2	ZINC000146322585	HJ	Annotated	Anodyne	
N#Cc1cc(-c2ccnc(Nc3cc(C4CC4)n[nH]3)c2)ccc1OC1CCOCC1	ZINC000146528966	HJ	Annotated	Anodyne	 
[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(O)c(F)c3)o2)[C@H](C)O)c(C)c1Cl	ZINC000146561559	HJ	Annotated	Anodyne	
[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)c(O)c3)o2)[C@H](C)O)c(C)c1Cl	ZINC000146575928	HJ	Annotated	Anodyne	
[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)c(O)c3)o2)[C@@H](C)O)c(C)c1Cl	ZINC000146579250	HJ	Annotated	Anodyne	
[C-]#[N+]c1ccc(N[C@H](c2nnc(-c3ccc(F)c(O)c3)o2)[C@@H](C)O)c(C)c1Cl	ZINC000146581223	HJ	Annotated	Anodyne	
[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)O)c2ccsc12	ZINC000146612008	HJ	Annotated	Anodyne	
[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)O)c2ccsc12	ZINC000146622986	HJ	Annotated	Anodyne	
CC(C)(C)c1cc(Nc2cc(-c3ccc(OC4CCOCC4)c(C#N)c3)ccn2)n[nH]1	ZINC000146688695	HJ	Annotated	Anodyne	 
C/C=C(\C)[C@]1(OC)C[C@H]2C3=COC(/C=C/[C@@H](C)[C@@H](C)O)=CC3=C(Cl)C(=O)[C@@]2(C)O1	ZINC000146705342	HJ	Annotated	Mild	
O=C(N[C@H]1CC[C@@H](c2nc(-c3ccc(Cl)c(Cl)c3)c[nH]2)CC1)c1ccon1	ZINC000146817173	HJ	Annotated	Anodyne	
C[C@H]1CC[C@@H]2[C@@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000146827322	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000146827479	HJ	Annotated	Anodyne	 
NC1(c2ccc(-c3nn4c(-c5ccn[nH]5)cnc4cc3-c3ccccc3)cc2)CCC1	ZINC000146849036	HJ	Annotated	Anodyne	 
Cc1ccc(-c2nccnc2O[C@@H]2C[C@@H](Nc3nc4cc(F)ccc4s3)C2)cn1	ZINC000146887061	HJ	Annotated	Anodyne	 
CCn1nc(C)c(N2CCc3nc(-c4c(C)ccc5[nH]ncc45)cc(C)c3C2)c1C	ZINC000146923006	HJ	Annotated	Anodyne	 
Fc1cnc(O[C@@H]2C[C@@H](Nc3nc4cc(F)ccc4s3)C2)c(C2CCOCC2)c1	ZINC000146925120	HJ	Annotated	Anodyne	 
Fc1cnc(O[C@@H]2C[C@@H](Nc3nc4c(F)cccc4s3)C2)c(C2CCOCC2)c1	ZINC000146956936	HJ	Annotated	Anodyne	 
CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2C[C@@H]1[C@H]1C(=O)C=CC(=O)[C@H]13	ZINC000147028162	HJ	Annotated	Anodyne	 
CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)cnc2n1	ZINC000147062243	HJ	Annotated	Anodyne	 
O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(F)c1	ZINC000147279948	HJ	Annotated	Reactive	 
C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3C(C)(C)[C@H](OC(=O)NC(=O)NCCO)CC[C@@]23C)C1	ZINC000147283501	HJ	Annotated	Mild	
Cc1ccc2oc(COc3ccc(S(=O)(=O)/C=C/C#N)cc3C(C)(C)C)nc2c1	ZINC000147453954	HJ	Annotated	Reactive	 
O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CN(c1cccnc1)CC3	ZINC000147474028	HJ	Annotated	Anodyne	 
O=S(=O)(c1cc(Cl)c2oc3c(c2c1)CNCC3)c1ccccc1C(F)(F)F	ZINC000147505507	HJ	Annotated	Anodyne	 
O=S(=O)(c1cc(Cl)c2oc3c(c2c1)CNCC3)c1csc2ccccc12	ZINC000147557184	HJ	Annotated	Anodyne	 
O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3	ZINC000147576328	HJ	Annotated	Anodyne	 
O=S(=O)(c1ccc2sccc2c1)c1cc(Cl)c2oc3c(c2c1)CNCC3	ZINC000147578979	HJ	Annotated	Anodyne	 
COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1OC(C)C	ZINC000147808761	HJ	Annotated	Anodyne	
Cc1ccc2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc2n1	ZINC000147819918	HJ	Annotated	Anodyne	
Cc1nc2ccc(-c3cc(O[C@H](C)[C@H]4CNC(=O)C4)c4cccnc4c3)cc2s1	ZINC000147820786	HJ	Annotated	Anodyne	
O=S(=O)(c1ccc(C(F)(F)F)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3	ZINC000147906119	HJ	Annotated	Anodyne	 
O=C(N[C@H]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1)c1ccon1	ZINC000148055995	HJ	Annotated	Anodyne	
O=C(NC1(c2ccccn2)CC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1	ZINC000148390720	HJ	Annotated	Anodyne	
C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CCC4=C5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000148480951	HJ	Annotated	Anodyne	 
CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@@H](C)CN(C)Cc1ccccc1	ZINC000148959689	HJ	Annotated	Anodyne	
CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@H](C)CN(C)Cc1ccccc1	ZINC000148959893	HJ	Annotated	Anodyne	
C=CCC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1	ZINC000149635465	HJ	Annotated	Mild	
C=CCC(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1	ZINC000149635669	HJ	Annotated	Mild	
CCCC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1	ZINC000149636305	HJ	Annotated	Clean	
CCCC(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1	ZINC000149636519	HJ	Annotated	Clean	
C[C@@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)C1CCC1	ZINC000149643405	HJ	Annotated	Clean	
C[C@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)C1CCC1	ZINC000149643577	HJ	Annotated	Clean	
C[C@@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)C1(C)CC1	ZINC000149643908	HJ	Annotated	Clean	
C[C@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)C1(C)CC1	ZINC000149644065	HJ	Annotated	Clean	
CC(=O)Oc1cc2c(cc1C(C)C)[C@@H](O)[C@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@]21C	ZINC000149699041	HJ	Annotated	Anodyne	
FC(F)(F)[C@@H](Nc1ccc([C@@H]2CCNC2)cc1)c1ccc(Br)cn1	ZINC000149919627	HJ	Annotated	Anodyne	
FC(F)(F)[C@H](Nc1ccc([C@@H]2CCNC2)cc1)c1ccc(Br)cn1	ZINC000149919851	HJ	Annotated	Anodyne	
FC(F)(F)[C@@H](Nc1ccc([C@H]2CCNC2)cc1)c1ccc(Br)cn1	ZINC000149920039	HJ	Annotated	Anodyne	
FC(F)(F)[C@H](Nc1ccc([C@H]2CCNC2)cc1)c1ccc(Br)cn1	ZINC000149920256	HJ	Annotated	Anodyne	
C[C@H](NC(=O)C(C)(C)C#N)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1	ZINC000149931137	HJ	Annotated	Mild	
C[C@H](NC(=O)C1(C#N)CC1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1	ZINC000149957148	HJ	Annotated	Mild	
C[C@@H](N)c1ccc(-c2c(O)cc(Br)c3[nH]c(=O)c4sccc4c23)cc1	ZINC000149973807	HJ	Annotated	Anodyne	 
C[C@H](N)c1ccc(-c2c(O)cc(Br)c3[nH]c(=O)c4sccc4c23)cc1	ZINC000149974035	HJ	Annotated	Anodyne	 
N=C(N)c1ccc(/C=C2/CCCCCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1	ZINC000001545729	HJ	Annotated	Mild	
O=c1[nH]nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1-c1cc(Cl)ccc1O	ZINC000001552743	HJ	Annotated	Anodyne	
CCCC(=O)c1cnc2c(OCCOCCO)cccc2c1Nc1ccccc1C	ZINC000001554415	HJ	Annotated	Anodyne	
CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn([C@@H](C)CO)c1=O	ZINC000001581931	HJ	Annotated	Anodyne	
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H]1O[C@H]2[C@@H](C)[C@H]1C	ZINC000001584599	HJ	Annotated	Anodyne	 
C[C@@]1(C(=O)Nc2ccc3cc4ccccc4cc3c2)C[C@@]2(C)C[C@@](C)(C1)[C@H](O)NC2=O	ZINC000001618034	HJ	Annotated	Anodyne	 
c1ccc(COC[C@H]2O[C@H]3c4ccccc4CO[C@H]3[C@@H]2OCc2ccccc2)cc1	ZINC000001618474	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@@](C#N)(Cc1ccccc1)N(C(=O)c1ccccc1)C=C2	ZINC000001619785	HJ	Annotated	Mild	
Cc1ccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)cc1	ZINC000001622951	HJ	Annotated	Anodyne	
COC(=O)c1c2c(cc3c1C[C@]1(Cc4cc5c(c(C(C)=O)c4C1)CCC5)C3)CCC2	ZINC000001622956	HJ	Annotated	Anodyne	
O=c1c2ccccc2c(=O)n2n1-c1cccc(c1)CSSCc1cccc-2c1	ZINC000001626117	HJ	Annotated	Reactive	
O=c1n(C2CCCCC2)c(=C(Cl)Cl)c(=C(Cl)Cl)n1C1CCCCC1	ZINC000001633152	HJ	Annotated	Anodyne	 
CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@H]5C(=CC[C@@H]23)C(=O)O[C@H]5C[C@@]4(C)O)O1	ZINC000001636668	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nc(-c3oc4ccccc4c(=O)c3OC(C)=O)cs2)cc1	ZINC000001638080	HJ	Annotated	Anodyne	
CC1(C)CC(=O)C2=C(C1)[C@H](c1ccccc1Cl)[C@H]1C(=O)CC(C)(C)C[C@]1(O)O2	ZINC000001639277	HJ	Annotated	Mild	 
c1cc(Sc2nc(Sc3ccncc3)nc(Sc3ccncc3)n2)ccn1	ZINC000001643208	HJ	Annotated	Anodyne	
CC[C@@H](C(=O)c1ccc(OC)c(OC)c1)N(C(=O)C(F)(F)F)[C@@H](C)c1ccccc1	ZINC000001643417	HJ	Annotated	Anodyne	
CC[C@H](C(=O)c1ccc(OC)c(OC)c1)N(C(=O)C(F)(F)F)[C@@H](C)c1ccccc1	ZINC000001643418	HJ	Annotated	Anodyne	
CC[C@@H](C(=O)c1ccc(OC)c(OC)c1)N(C(=O)C(F)(F)F)[C@H](C)c1ccccc1	ZINC000001643419	HJ	Annotated	Anodyne	
CC[C@H](C(=O)c1ccc(OC)c(OC)c1)N(C(=O)C(F)(F)F)[C@H](C)c1ccccc1	ZINC000001643420	HJ	Annotated	Anodyne	
CC[C@@H](C)OC(=O)/C(Br)=C1/OC(=O)c2ccccc2-c2ccccc21	ZINC000001644148	HJ	Annotated	Anodyne	
CC[C@H](C)OC(=O)/C(Br)=C1/OC(=O)c2ccccc2-c2ccccc21	ZINC000001644150	HJ	Annotated	Anodyne	
O=C1/C(=C/c2cc3c(=O)c4ccccc4sc3s2)NC(=S)N1c1ccccc1	ZINC000001647509	HJ	Annotated	Anodyne	
Cc1ccccc1-n1c(=O)c2ncn([C@H]3CCCO3)c2n(-c2ccccc2C)c1=S	ZINC000001648105	HJ	Annotated	Anodyne	
CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc1ccccc12	ZINC000001649420	HJ	Annotated	Anodyne	
COc1cc([C@H](c2ccc3c(c2)OCO3)C2SCCCS2)cc(OC)c1OC	ZINC000001649618	HJ	Annotated	Anodyne	
Cc1ccccc1-n1c(=O)c2ncn(CCCl)c2n(-c2ccccc2C)c1=S	ZINC000001651043	HJ	Annotated	Reactive	
CCOC(=O)c1sc2nc(SC)nc3c2c1ncn3-c1ccccc1Cl	ZINC000001651339	HJ	Annotated	Anodyne	
COc1ccc(Nc2c(C#N)c3n(c4ccccc24)c2ccccc2[n+]3C)cc1OC	ZINC000001653908	HJ	Annotated	Mild	
COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCN)c4c(C)c3c2c1	ZINC000001654681	HJ	Annotated	Bother	
CC(=O)Nc1cccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)c1	ZINC000001654937	HJ	Annotated	Reactive	
CC(=O)Nc1cccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)c1	ZINC000001654939	HJ	Annotated	Reactive	
CC(=O)Nc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)cc1	ZINC000001654944	HJ	Annotated	Reactive	
CC(=O)Nc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)cc1	ZINC000001654946	HJ	Annotated	Reactive	
O=C1NC[C@H](CSc2nc3cc([C@H]4CCCc5c4[nH]c4ccccc54)ccc3o2)N1	ZINC000001655155	HJ	Annotated	Anodyne	
O=C1NC[C@H](CSc2nc3cc([C@@H]4CCCc5c4[nH]c4ccccc54)ccc3o2)N1	ZINC000001655156	HJ	Annotated	Anodyne	
O=C1NC[C@@H](CSc2nc3cc([C@H]4CCCc5c4[nH]c4ccccc54)ccc3o2)N1	ZINC000001655157	HJ	Annotated	Anodyne	
O=C1NC[C@@H](CSc2nc3cc([C@@H]4CCCc5c4[nH]c4ccccc54)ccc3o2)N1	ZINC000001655158	HJ	Annotated	Anodyne	
O=C(Nc1nnc(-c2ccccc2)o1)[C@@H](SC(=S)N1CCCC1)c1ccccc1	ZINC000001658298	HJ	Annotated	Anodyne	
O=C(Nc1sccc1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1F	ZINC000001658364	HJ	Annotated	Anodyne	
CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc1ccsc12	ZINC000001658501	HJ	Annotated	Anodyne	
COC(=O)[C@H]1SC(N(C)c2ccccc2)=NC12c1ccccc1Nc1ccccc12	ZINC000001658686	HJ	Annotated	Anodyne	
CCOC(=O)C(=Cc1[nH]c2ccccc2c1-c1c[nH]c2ccccc12)C(=O)OCC	ZINC000001658732	HJ	Annotated	Anodyne	
c1cc(-c2ccc(-c3ccc(C4=NCCCCN4)cc3)o2)ccc1C1=NCCCCN1	ZINC000001659433	HJ	Annotated	Anodyne	
CSC(=NC1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)O1)SC	ZINC000001659534	HJ	Annotated	Mild	
S=c1c2cc(I)ccc2nc(S)n1Cc1ccccc1	ZINC000001660373	HJ	Annotated	Anodyne	
CCOC(=O)c1c(-c2cccc(Cl)c2)c(C(=O)OC)c(C)c2sc(C=O)nc12	ZINC000001661601	HJ	Annotated	Anodyne	
COC(=O)c1c(O)ccc2c1c1c(n2CCc2ccccc2)C(=O)c2ccccc2C1	ZINC000001662841	HJ	Annotated	Anodyne	
COC(=O)c1c(O)ccc2c1c1c(n2Cc2cccc(C)c2)C(=O)c2ccccc2C1	ZINC000001662844	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@]2(C)[C@H]4C(=O)C=C(C)C[C@H]4C[C@@H]32)C1	ZINC000001689714	HJ	Annotated	Mild	
Cc1cccc(N2C(=O)C(=O)[C@@H](C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)n1	ZINC000001824466	HJ	Annotated	Anodyne	
Cc1cccc(N2C(=O)C(=O)[C@H](C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)n1	ZINC000001824467	HJ	Annotated	Anodyne	
CCOC(=O)/C(C#N)=C/c1ccc2c(c1)C[C@]1(C2)Cc2cc(CC)c([C@@H](C)O)cc2C1	ZINC000001855349	HJ	Annotated	Reactive	
COC(=O)c1c2c(cc3c1C[C@@]1(Cc4cc5c(c(C=O)c4C1)CCCC5)C3)CCCC2	ZINC000001855665	HJ	Annotated	Anodyne	
COC(=O)c1c(C(=O)OC)c2c3ccccc3n(C)c2c2c1c1ccccc1n2C	ZINC000001858285	HJ	Annotated	Bother	
Cc1cc2c(c(/C=N/c3ccccc3O)c1)O[C@]1(C=C2)Oc2ccccc2C(=O)N1C	ZINC000001858525	HJ	Annotated	Mild	
Cc1cc2c(c(/C=N/Cc3ccccc3)c1)O[C@]1(C=C2)Oc2ccccc2C(=O)N1C	ZINC000001858529	HJ	Annotated	Mild	
Cc1cc(S(=O)(=O)Nc2nc3cccc4cccc([nH]2)c43)c(S)cc1Cl	ZINC000001859540	HJ	Annotated	Anodyne	
CCOC(=O)c1sc2nc(SC)nc3c2c1NCN3c1ccccc1Cl	ZINC000001860096	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc(OCCOc2ccc(C(C)(C)C)cc2NC=O)c(NC=O)c1	ZINC000001860416	HJ	Annotated	Anodyne	 
CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc1sccc12	ZINC000001861224	HJ	Annotated	Anodyne	
CC(C)CCNC(=O)c1ccc(CNC(=O)/C=C/c2ccc3ccccc3c2)cc1	ZINC000001862858	HJ	Annotated	Anodyne	
COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC	ZINC000001862922	HJ	Annotated	Anodyne	
Sc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1N=Cc1ccc(Cl)c(Cl)c1	ZINC000001869245	HJ	Annotated	Anodyne	 
Cc1ccc(-c2cn3ccccc3[n+]2CC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-]	ZINC000001882364	HJ	Annotated	Mild	 
Cc1ccccc1Nc1nc(N(C)c2ccccc2)c2cccc(OCCO)c2n1	ZINC000001905572	HJ	Annotated	Anodyne	
Oc1cnccc1CCCOc1cccnc1Oc1cccc(Br)c1	ZINC000001905898	HJ	Annotated	Anodyne	 
Cc1ccc(C(=O)c2oc3cccc(OCCCNCc4cccnc4)c3c2C)nc1	ZINC000001912803	HJ	Annotated	Anodyne	
O=C(/C=C1\CN2CCC1CC2)c1ccc(C(=O)c2ccc(Br)cc2)cc1	ZINC000001997131	HJ	Annotated	Mild	
CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc23)c1CN[C@@H](C)c1ccco1	ZINC000015008618	HJ	Annotated	Anodyne	
CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc23)c1CN[C@H](C)c1ccco1	ZINC000015008621	HJ	Annotated	Anodyne	
C/C(=C\CC[C@]1(C)OC(=O)[C@H](C(=O)c2ccc(O)cc2O)[C@H]1C)Cc1cc(C)co1	ZINC000015047433	HJ	Annotated	Anodyne	
CC(C)n1cc(CN2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1	ZINC000015080235	HJ	Annotated	Anodyne	 
CC(C)n1cc(CN2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1	ZINC000015080238	HJ	Annotated	Anodyne	 
C=C1[C@@H](OC(C)=O)CC[C@@]2(C)CC(=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H](C[C@H]12)C3(C)C	ZINC000015117362	HJ	Annotated	Mild	in-vitro biogenic
COc1cc(OC)c([C@H]2[C@@H](C)[C@@H](C)[C@@H]2c2cc(OC)c(OC)cc2OC)cc1OC	ZINC000015119526	HJ	Annotated	Anodyne	in-man metabolite
COc1cc(OC)c([C@@H]2[C@@H](c3cc(OC)c(OC)cc3OC)[C@H](C)[C@H]2C)cc1OC	ZINC000015119527	HJ	Annotated	Anodyne	in-man metabolite
CC(=O)OCC(COC(C)=O)=C1C=C[C@]2(C)C/C=C(/C)CC[C@@H]3O[C@@]3(C)CC[C@@H]12	ZINC000015159578	HJ	Annotated	Anodyne	 
COc1cc2ccc(=O)oc2c(OC)c1OCC1=C(C)CCC2=C1CC[C@@H]1O[C@]21C	ZINC000015160410	HJ	Annotated	Anodyne	 
C=CC(C)(C)[C@]12CC(=O)N(C)[C@H]1N(CC=C(C)C)c1cc(Br)ccc12	ZINC000015217240	HJ	Annotated	Mild	
CC(C)=CCc1cc2c(cc1O)OC[C@@]1(O)c3ccc4c(c3O[C@@H]21)C=CC(C)(C)O4	ZINC000015217340	HJ	Annotated	Anodyne	in-vivo
CC(C)=CC(=O)/C=C(\C)CCC[C@]1(C)OC(=O)[C@@H](C(=O)c2ccc(O)cc2O)[C@@H]1C	ZINC000015219188	HJ	Annotated	Mild	 
COc1c(O)c(CC=C(C)C)cc2c(=O)c3c(O)c4c(cc3oc12)O[C@H](C)C4(C)C	ZINC000015256084	HJ	Annotated	Bother	in-vitro biogenic
COc1cc(/C=C/C(=O)O[C@H]2CC(C)=C3CC[C@H](C)[C@@H]3C[C@@H]2C(C)(C)O)ccc1O	ZINC000015265008	HJ	Annotated	Anodyne	
O=C(N[C@H](CC1CCSCC1)C(=O)O)OCC1c2ccccc2-c2ccccc21	ZINC000015446443	HJ	Annotated	Anodyne	 
COc1cnc2ccc([C@@](C)(F)c3nnc4c(F)cc(-c5cc(C)no5)cn34)cc2c1	ZINC000150078522	HJ	Annotated	Anodyne	in-vitro
CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)C(C)C)cc4)c3)cnnc21	ZINC000150117874	HJ	Annotated	Anodyne	 
CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)cc1	ZINC000150125335	HJ	Annotated	Anodyne	 
CCc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccco3)[C@@H](C(C)=O)C(C)=N2)cc1	ZINC000150338636	HJ	Annotated	Reactive	aggregator
CCc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccco3)[C@H](C(C)=O)C(C)=N2)cc1	ZINC000150338637	HJ	Annotated	Reactive	aggregator
O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(Br)cc1	ZINC000015628986	HJ	Annotated	Anodyne	 
CCCCc1c(C)nc2nc(NCc3ccc(OCc4ccccc4)cc3)nn2c1O	ZINC000015668912	HJ	Annotated	Anodyne	 
COCCn1c(-c2cccc(OC)c2)cnc1NC(=O)Nc1cccc(SC)c1	ZINC000015786076	HJ	Annotated	Anodyne	 
O=C1N=C(N2C=CC(=C3C=CNC=C3)C=C2)/C(=C/N=N/C(=O)c2ccccc2)S1	ZINC000015884992	HJ	Annotated	Clean	
FC(F)(F)c1nc2ccccc2n1CCNc1nc(CN2CCCCC2)cs1	ZINC000015924918	HJ	Annotated	Anodyne	 
Cc1ccc(CNC(=O)CCn2cc(-c3ccc(C)cc3)nc2-c2ccncc2)cc1	ZINC000015934840	HJ	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCC(Cc2cc(-c3ccc(Cl)cc3)no2)(C(=O)O)CC1	ZINC000015934873	HJ	Annotated	Anodyne	 
CCCCC[C@H]1CN(Cc2ccc(OC)cc2)C(=O)[C@@H]1CC(=O)NCc1ccccc1	ZINC000015935148	HJ	Annotated	Anodyne	 
CCCCC[C@H]1CN(C2CCCCC2)C(=O)[C@@H]1CC(=O)NCc1ccc(OC)cc1	ZINC000015935322	HJ	Annotated	Anodyne	 
CCCCC[C@H]1CN(Cc2ccccc2)C(=O)[C@@H]1CC(=O)NCc1ccc(OC)cc1	ZINC000015935323	HJ	Annotated	Anodyne	 
CCCCC[C@H]1CN(CCc2ccccc2)C(=O)[C@@H]1CC(=O)NCc1ccccc1	ZINC000015935324	HJ	Annotated	Anodyne	 
O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CC2C[C@H]3CC1C[C@@H](C2)C3	ZINC000015936445	HJ	Annotated	Anodyne	
C[C@]12C(=O)N(c3ccccc3)C(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1	ZINC000015936694	HJ	Annotated	Anodyne	 
O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cc(F)cc(F)c2F)cc1NN1CCCCC1	ZINC000015936802	HJ	Annotated	Bother	 
O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2c(F)ccc(F)c2F)cc1NN1CCCCC1	ZINC000015936811	HJ	Annotated	Bother	 
O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2c(F)cc(F)cc2F)cc1NN1CCCCC1	ZINC000015936822	HJ	Annotated	Bother	 
O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cccc3c2CCCC3)cc1NN1CCCCC1	ZINC000015936824	HJ	Annotated	Bother	 
COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2ccc(C(=O)O)cc2)s1	ZINC000015936914	HJ	Annotated	Anodyne	 
O=C(C[C@H]1C(=O)N(CCc2ccccc2)C[C@@H]1Cc1ccccc1)Nc1ccccc1	ZINC000015937334	HJ	Annotated	Anodyne	 
COc1cc(CCCN2C(S)=NC[C@@H]2CC2CCCCC2)cc(OC)c1OC	ZINC000015952554	HJ	Annotated	Anodyne	 
O=C(C[n+]1c2n(c3ccc(C(F)(F)F)cc31)CCCCC2)Nc1c(F)cccc1F	ZINC000015953172	HJ	Annotated	Mild	 
COc1ccc(-n2cc(CNCCc3nc(C)c[nH]3)c(-c3ccccc3Cl)n2)cc1	ZINC000015962439	HJ	Annotated	Anodyne	 
O=C(NCc1ccco1)c1cccc(Nc2nc3cc(Br)ccc3[nH]2)c1	ZINC000015974460	HJ	Annotated	Anodyne	 
O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1ccccc1Br	ZINC000015974502	HJ	Annotated	Anodyne	aggregator
Sc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1/N=C\c1c(Cl)cccc1Cl	ZINC000015987691	HJ	Annotated	Mild	 
Sc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1/N=C\c1ccc(Cl)c(Cl)c1	ZINC000015987713	HJ	Annotated	Mild	 
CCn1ncc(/C=N\NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)c1C	ZINC000015989780	HJ	Annotated	Reactive	 
O=C(Cc1cccc2ccccc12)NN=Cc1ccc(OC(=O)/C=C/c2ccco2)cc1	ZINC000015990326	HJ	Annotated	Anodyne	aggregator
N#CC1=C(c2cc(Cl)cc(Cl)c2)C(=O)N2CCC[C@]12Cc1ccc(C#N)cc1	ZINC000016052276	HJ	Annotated	Reactive	in-vivo
Cc1cc(C(=O)Nc2cc(Cl)cc(N3CCCCC3)c2)cc(C)c1OCCN	ZINC000016052612	HJ	Annotated	Anodyne	in-vivo
NCCc1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1Cl	ZINC000164981367	HJ	Annotated	Anodyne	 
COc1cc(Cl)c2[nH]c(=O)c3sccc3c2c1-c1ccc(CCN)c(F)c1	ZINC000164998852	HJ	Annotated	Anodyne	 
Cc1cc(-c2csc(CC(=S)N3CCOCC3)n2)c(C)n1-c1ccccc1F	ZINC000016940251	HJ	Annotated	Anodyne	 
c1ccc(COC[C@H]2O[C@@H]3c4ccccc4CO[C@H]3[C@@H]2OCc2ccccc2)cc1	ZINC000016953206	HJ	Annotated	Anodyne	
CCc1nn(-c2ccccc2)c2nc(-c3ccc(NC4CCNCC4)cc3)cc(O)c12	ZINC000165100367	HJ	Annotated	Anodyne	
C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2C([C@H](CC=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12	ZINC000165583349	HJ	Annotated	Mild	
C=C[C@@](C)(CC/C=C(\C)CC[C@]1(C)C(C)=CCC[C@H]1C)S(=O)(=O)CCN=C(N)N	ZINC000165698826	HJ	Annotated	Mild	
COC(=O)[C@H](C)[C@H]1CC[C@](C)([C@@H]2C[C@@]3(C)[C@H](C)Cc4cc(C)ccc4[C@@]3(C)O2)OO1	ZINC000165819285	HJ	Annotated	Reactive	
C/C=C(\C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CC[C@@H]3O[C@]3(C)[C@@]21C	ZINC000166038830	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CC[C@@H]3O[C@]3(C)[C@@]21C	ZINC000166038953	HJ	Annotated	Anodyne	
COc1cnc2ccc([C@@H](C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)cc2c1	ZINC000166095899	HJ	Annotated	Anodyne	 
CO[C@H]1O[C@@H](OC)C2=C1[C@H]1C[C@H]1[C@H](C)C[C@@H](OC(C)=O)[C@H]2[C@H](C)CCC=C(C)C	ZINC000166350171	HJ	Annotated	Anodyne	
CO[C@@H]1O[C@@H](OC)C2=C1[C@H]1C[C@H]1[C@H](C)C[C@@H](OC(C)=O)[C@H]2[C@H](C)CCC=C(C)C	ZINC000166350406	HJ	Annotated	Anodyne	
C=C1C[C@@H](OC(C)=O)[C@H](C(C)(C)O)[C@]2(C)C=C[C@H](C)[C@H]2CCCC[C@@H]1OC(C)=O	ZINC000166608245	HJ	Annotated	Mild	
CCOP(=O)(OCC)OCc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1	ZINC000166897146	HJ	Annotated	Anodyne	in-vivo
CC[C@H](C)Sc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br	ZINC000168270298	HJ	Annotated	Anodyne	
CC[C@@H](C)Sc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br	ZINC000168270369	HJ	Annotated	Anodyne	
CC[C@H](C)Sc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br	ZINC000168270442	HJ	Annotated	Anodyne	
Cc1ccc(C)n1-c1c(F)c(F)c(-c2nc3cccc(C(=O)O)c3[nH]2)c(F)c1F	ZINC000168569845	HJ	Annotated	Clean	 
CCc1nn(Cc2ccc(NC(=O)c3ccc(C)cc3C)cc2)c(CC)c1CC(=O)O	ZINC000168882390	HJ	Annotated	Anodyne	
CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@@H]4O[C@@H](C/C(C)=C/CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31	ZINC000169291347	HJ	Annotated	Anodyne	
CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@@H]4O[C@H](C/C(C)=C/CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31	ZINC000169291349	HJ	Annotated	Anodyne	
CN1C[C@@](O)(c2ccc(-c3ccc(Br)s3)cc2)O[C@@H]2CCCC[C@@H]21	ZINC000169292912	HJ	Annotated	Anodyne	
CN1C[C@](O)(c2ccc(-c3ccc(Br)s3)cc2)O[C@@H]2CCCC[C@@H]21	ZINC000169292913	HJ	Annotated	Anodyne	
CC(=O)O[C@H]1C/C(C)=C/C(=O)C[C@@H](C)/C=C\[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12	ZINC000169292922	HJ	Annotated	Mild	
CC(=O)O[C@H]1C/C(C)=C\C(=O)C[C@@H](C)/C=C\[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12	ZINC000169292923	HJ	Annotated	Mild	
CC(=O)O[C@H]1/C=C(/C)CC(=O)C[C@@H](C)/C=C\[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12	ZINC000169292940	HJ	Annotated	Anodyne	
CC(=O)O[C@H]1/C=C(\C)CC(=O)C[C@@H](C)/C=C\[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12	ZINC000169292941	HJ	Annotated	Anodyne	
CC(=O)O[C@H]1/C=C(\C)CC(=O)C[C@@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12	ZINC000169292942	HJ	Annotated	Anodyne	
CN1C[C@@](O)(c2ccc(-c3ccc(Br)cc3)cc2)O[C@@H]2CCCC[C@@H]21	ZINC000169293882	HJ	Annotated	Anodyne	
CN1C[C@](O)(c2ccc(-c3ccc(Br)cc3)cc2)O[C@@H]2CCCC[C@@H]21	ZINC000169293883	HJ	Annotated	Anodyne	
N#Cc1cccc([C@@H](O)[C@@H]2CN(CCC3CCCCC3)CC[C@@]2(O)c2ccccc2)c1	ZINC000169293968	HJ	Annotated	Mild	
N#Cc1cccc([C@H](O)[C@H]2CN(CCC3CCCCC3)CC[C@@]2(O)c2ccccc2)c1	ZINC000169293969	HJ	Annotated	Mild	
C[C@@H]1CC[C@@H]2C(=O)O[C@@H](Cc3ccccc3)CN2[C@@H]1c1ccc(Br)cc1	ZINC000169294300	HJ	Annotated	Anodyne	
C[C@H]1CC[C@@H]2C(=O)O[C@@H](Cc3ccccc3)CN2[C@@H]1c1ccc(Br)cc1	ZINC000169294301	HJ	Annotated	Anodyne	
C[C@@H]1CC[C@H]2C(=O)O[C@@H](Cc3ccccc3)CN2[C@@H]1c1ccc(Br)cc1	ZINC000169294302	HJ	Annotated	Anodyne	
C[C@H]1CC[C@H]2C(=O)O[C@@H](Cc3ccccc3)CN2[C@@H]1c1ccc(Br)cc1	ZINC000169294303	HJ	Annotated	Anodyne	
CCOC(=O)c1cn(CC)c2cc(F)c(O[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)cc2c1=O	ZINC000169294329	HJ	Annotated	Anodyne	
CCOC(=O)c1cn(CC)c2cc(F)c(O[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)cc2c1=O	ZINC000169294330	HJ	Annotated	Anodyne	
COc1cccc(C(=O)[C@@H]2C[C@H]2CN(C)CC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1	ZINC000169294332	HJ	Annotated	Anodyne	
CCCCCN1C/C=C/[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1	ZINC000169294411	HJ	Annotated	Anodyne	
CN1C[C@@H](c2ccccc2)OC(=O)CC/C=C\C[C@@H](Cc2ccc(Cl)cc2)C1=O	ZINC000169294675	HJ	Annotated	Anodyne	
C[C@H](C(=O)CN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ncco1	ZINC000169295082	HJ	Annotated	Anodyne	
C[C@@H](C(=O)CN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ncco1	ZINC000169295084	HJ	Annotated	Anodyne	
C=C(C)[C@@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@H]1CC(=O)/C(C)=C\CC/C(C)=C\[C@H]2OC(C)=O	ZINC000169296121	HJ	Annotated	Mild	
C=C(C)[C@@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@H]1CC(=O)/C(C)=C/CC/C(C)=C\[C@H]2OC(C)=O	ZINC000169296122	HJ	Annotated	Mild	
C=C(C)[C@@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@H]1CC(=O)/C(C)=C\CC/C(C)=C/[C@H]2OC(C)=O	ZINC000169296123	HJ	Annotated	Mild	
COc1ccc2cc(-c3ccc([C@@]4(O)CN(C)[C@@H]5CCCC[C@@H]5O4)cc3)ccc2c1	ZINC000169296267	HJ	Annotated	Anodyne	
COc1ccc2cc(-c3ccc([C@]4(O)CN(C)[C@@H]5CCCC[C@@H]5O4)cc3)ccc2c1	ZINC000169296269	HJ	Annotated	Anodyne	
COC1=C[C@@H]2CC[C@@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@@H]2C=C1	ZINC000169299370	HJ	Annotated	Anodyne	
COC1=C[C@H]2CC[C@@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@@H]2C=C1	ZINC000169299371	HJ	Annotated	Anodyne	
COC1=C[C@@H]2CC[C@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@@H]2C=C1	ZINC000169299372	HJ	Annotated	Anodyne	
COC1=C[C@H]2CC[C@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@@H]2C=C1	ZINC000169299374	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2/C=C/CN(CC(C)(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1	ZINC000169300617	HJ	Annotated	Anodyne	
CC/C1=C(/c2ccccc2)c2ccc(OC[C@@H](O)CO)cc2CCc2ccccc21	ZINC000169300939	HJ	Annotated	Anodyne	
CC/C1=C(/c2ccccc2)c2ccc(OC[C@H](O)CO)cc2CCc2ccccc21	ZINC000169300940	HJ	Annotated	Anodyne	
CSC1=N[C@H]2/C(=C(\O)OCCCCCSc3c2cccc3[N+](=O)[O-])C(C)=N1	ZINC000169302113	HJ	Annotated	Bother	
CSC1=N[C@@H]2/C(=C(\O)OCCCCCSc3c2cccc3[N+](=O)[O-])C(C)=N1	ZINC000169302114	HJ	Annotated	Bother	
CSC1=N[C@H]2/C(=C(\O)OCCCCCSc3ccc([N+](=O)[O-])cc32)C(C)=N1	ZINC000169302192	HJ	Annotated	Bother	
CSC1=N[C@@H]2/C(=C(\O)OCCCCCSc3ccc([N+](=O)[O-])cc32)C(C)=N1	ZINC000169302194	HJ	Annotated	Bother	
C=C1C[C@H]2[C@@H]3C=C(N=[N+]=[N-])C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O	ZINC000169302479	HJ	Annotated	Mild	
CCCCc1ncc(/C(Cc2ccc(C(=O)O)cc2)=C(/Cc2cccs2)C(=O)O)[nH]1	ZINC000169303217	HJ	Annotated	Anodyne	
Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)NCc1ccco1	ZINC000169303384	HJ	Annotated	Anodyne	 
O=C1c2ccccc2N2C(=O)c3ccccc3[C@H]2N1c1cccc(Br)c1	ZINC000169304272	HJ	Annotated	Anodyne	
O=C1c2ccccc2N2C(=O)c3ccccc3[C@@H]2N1c1cccc(Br)c1	ZINC000169304273	HJ	Annotated	Anodyne	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3cccc(Cl)c3)[C@@H]21	ZINC000169304694	HJ	Annotated	Anodyne	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3cccc(Cl)c3)[C@H]21	ZINC000169304696	HJ	Annotated	Anodyne	
Cc1cnc(-c2ccccc2C(C)C)nc1NCC1CCN(c2cnccn2)CC1	ZINC000169304727	HJ	Annotated	Anodyne	
COC1=C(F)[C@@H]2CC[C@@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@@H]2C=C1	ZINC000169305304	HJ	Annotated	Anodyne	
COC1=C(F)[C@H]2CC[C@@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@@H]2C=C1	ZINC000169305305	HJ	Annotated	Anodyne	
COC1=C(F)[C@@H]2CC[C@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@@H]2C=C1	ZINC000169305306	HJ	Annotated	Anodyne	
COC1=C(F)[C@H]2CC[C@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@@H]2C=C1	ZINC000169305308	HJ	Annotated	Anodyne	
O[C@@H](c1ccccc1)[C@@H]1CN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)CC[C@@]1(O)c1ccccc1	ZINC000169305904	HJ	Annotated	Anodyne	
O[C@H](c1ccccc1)[C@@H]1CN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)CC[C@@]1(O)c1ccccc1	ZINC000169305907	HJ	Annotated	Anodyne	
O[C@@H](c1ccccc1)[C@H]1CN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)CC[C@@]1(O)c1ccccc1	ZINC000169305908	HJ	Annotated	Anodyne	
O[C@H](c1ccccc1)[C@H]1CN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)CC[C@@]1(O)c1ccccc1	ZINC000169305910	HJ	Annotated	Anodyne	
COc1ccc(C(=O)[C@@H]2C[C@@H]2CN(C)CC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000169306124	HJ	Annotated	Anodyne	
COc1ccc(C(=O)[C@@H]2C[C@H]2CN(C)CC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000169306125	HJ	Annotated	Anodyne	
NCCC[C@@]1(C(=O)O)CCc2c(ncn2CCC2CCC(C3CCCCC3)CC2)C1	ZINC000169306714	HJ	Annotated	Anodyne	
NCCC[C@]1(C(=O)O)CCc2c(ncn2CCC2CCC(C3CCCCC3)CC2)C1	ZINC000169306717	HJ	Annotated	Anodyne	
COc1cccc(Cc2nc(-c3sc4ccccc4c3OC3CCNCC3)no2)c1	ZINC000169307408	HJ	Annotated	Anodyne	
CO[C@H](c1ccccc1)c1nnc(-c2sc3ccccc3c2OC2CCNCC2)o1	ZINC000169307419	HJ	Annotated	Anodyne	
CO[C@@H](c1ccccc1)c1nnc(-c2sc3ccccc3c2OC2CCNCC2)o1	ZINC000169307420	HJ	Annotated	Anodyne	
Brc1ccc(-c2nnc([C@@H](NCc3ccccc3)c3ccc[nH]3)o2)cc1	ZINC000169307884	HJ	Annotated	Anodyne	
Brc1ccc(-c2nnc([C@H](NCc3ccccc3)c3ccc[nH]3)o2)cc1	ZINC000169307885	HJ	Annotated	Anodyne	
CCOC(=O)/C(=C/c1ccc(Br)cc1)CSc1nc(C)cc(C)n1	ZINC000169308084	HJ	Annotated	Anodyne	
CCn1cc(C(=O)O)c(=O)c2c3nc(-c4ccccc4)c(-c4ccccc4)nc3ccc21	ZINC000169308503	HJ	Annotated	Bother	
C=C1CCC[C@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)C/C(OC(C)=O)=C(/CO)CCOC(C)=O	ZINC000169308548	HJ	Annotated	Mild	
C=C1CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)C/C(OC(C)=O)=C(/CO)CCOC(C)=O	ZINC000169308549	HJ	Annotated	Mild	
C=C1CCC[C@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)C/C(OC(C)=O)=C(\CCO)COC(C)=O	ZINC000169310235	HJ	Annotated	Mild	
C=C1CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)C/C(OC(C)=O)=C(\CCO)COC(C)=O	ZINC000169310236	HJ	Annotated	Mild	
CC[C@@H](C)Cn1c(C(C)(C)C)nc2cc(S(=O)(=O)c3ccnc(F)c3)ccc21	ZINC000169310798	HJ	Annotated	Anodyne	
CC[C@H](C)Cn1c(C(C)(C)C)nc2cc(S(=O)(=O)c3ccnc(F)c3)ccc21	ZINC000169310799	HJ	Annotated	Anodyne	
CC[C@@](O)(c1ccc(Br)cc1)c1ccnc(Nc2ccc(C#N)cc2)n1	ZINC000169310987	HJ	Annotated	Mild	
CC[C@](O)(c1ccc(Br)cc1)c1ccnc(Nc2ccc(C#N)cc2)n1	ZINC000169310988	HJ	Annotated	Mild	
N#Cc1ccc(Nc2nccc([C@@](O)(c3ccc(Br)cc3)C3CC3)n2)cc1	ZINC000169310989	HJ	Annotated	Mild	
N#Cc1ccc(Nc2nccc([C@](O)(c3ccc(Br)cc3)C3CC3)n2)cc1	ZINC000169310991	HJ	Annotated	Mild	
Clc1ccc(OCCO/N=C2\c3ccccc3OC[C@@H]2n2ccnc2)c(Cl)c1	ZINC000169311219	HJ	Annotated	Mild	
Clc1ccc(OCCO/N=C2\c3ccccc3OC[C@H]2n2ccnc2)c(Cl)c1	ZINC000169311221	HJ	Annotated	Mild	
Cc1ccc(-c2[nH][nH]c(=O)c2Cc2c(O)ccc3ccc(Br)cc23)cc1	ZINC000169311771	HJ	Annotated	Anodyne	
Cc1ccc(-c2[nH][nH]c(=O)c2Cc2c(O)c(Br)cc3ccccc23)cc1	ZINC000169311772	HJ	Annotated	Anodyne	
c1ccc2c(c1)OC[C@@H](COCCCN1CCC(c3nc4ccccc4s3)CC1)O2	ZINC000169312209	HJ	Annotated	Anodyne	
c1ccc2c(c1)OC[C@H](COCCCN1CCC(c3nc4ccccc4s3)CC1)O2	ZINC000169312211	HJ	Annotated	Anodyne	
C[C@@H]1Oc2ccccc2O[C@@H]1COCCCN1CCC(c2nc3ccccc3o2)CC1	ZINC000169312212	HJ	Annotated	Anodyne	
C[C@H]1Oc2ccccc2O[C@@H]1COCCCN1CCC(c2nc3ccccc3o2)CC1	ZINC000169312214	HJ	Annotated	Anodyne	
C[C@@H]1Oc2ccccc2O[C@H]1COCCCN1CCC(c2nc3ccccc3o2)CC1	ZINC000169312216	HJ	Annotated	Anodyne	
C[C@H]1Oc2ccccc2O[C@H]1COCCCN1CCC(c2nc3ccccc3o2)CC1	ZINC000169312217	HJ	Annotated	Anodyne	
O=C(O)/C(O)=C/C(=O)c1cn(Cc2ccc(C(F)(F)F)cc2)c2ccc(F)cc12	ZINC000169312646	HJ	Annotated	Mild	
Cc1cc(C)c(Cn2cc(C(=O)C3=C(O)C(=O)OC3)c3cc(Cl)ccc32)c(C)c1	ZINC000169312672	HJ	Annotated	Mild	
CC(C)(C)c1ccc(Cn2cc(C(=O)C3=C(O)C(=O)OC3)c3cc(F)ccc32)cc1	ZINC000169312675	HJ	Annotated	Mild	
COc1ccc2c(c1)c(C(=O)C1=C(O)C(=O)OC1)cn2Cc1ccc(C(C)(C)C)cc1	ZINC000169312681	HJ	Annotated	Mild	
Cc1ccc(/C=C/C(=O)c2ccc(OCCn3c([N+](=O)[O-])cnc3C)cc2)cc1C	ZINC000169312729	HJ	Annotated	Mild	
NCCNCCNCCNC(CCCC1CCCCC1)CCCC1CCCCC1	ZINC000169315393	HJ	Annotated	Anodyne	
Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@@H](c2ccccc2)N[C@@H]3c2ccccc2)cc1	ZINC000169317341	HJ	Annotated	Reactive	
C=C1CC/C=C(/C)CC[C@H](C(=C)C)[C@@H](OC(C)=O)/C=C(/COC(C)=O)CC[C@H]1O	ZINC000169317647	HJ	Annotated	Mild	
C=C1CC/C=C(/C)CC[C@H](C(=C)C)[C@@H](OC(C)=O)/C=C(\COC(C)=O)CC[C@H]1O	ZINC000169317650	HJ	Annotated	Mild	
C=C1CC/C=C(\C)CC[C@H](C(=C)C)[C@@H](OC(C)=O)/C=C(\COC(C)=O)CC[C@H]1O	ZINC000169317652	HJ	Annotated	Mild	
COc1cc2c(cc1Br)-c1cc3c(O)cc(=O)oc3cc1OC2(C)C	ZINC000169318458	HJ	Annotated	Anodyne	
COc1ccccc1[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1	ZINC000169319866	HJ	Annotated	Anodyne	
COc1cccc([C@@]2(O)CCN3C[C@@H]4c5ccccc5CCc5cccc(c54)[C@H]3C2)c1	ZINC000169319867	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(O)CCN3C[C@@H]4c5ccccc5CCc5cccc(c54)[C@H]3C2)cc1	ZINC000169319869	HJ	Annotated	Anodyne	
C=C(C)[C@H]1CC/C(C)=C\C/C=C(\C)[C@@H](O)CC/C(COC(C)=O)=C\[C@@H]1OC(C)=O	ZINC000169321087	HJ	Annotated	Mild	
C=C(C)[C@H]1CC/C(C)=C/C/C=C(\C)[C@@H](O)CC/C(COC(C)=O)=C\[C@@H]1OC(C)=O	ZINC000169321088	HJ	Annotated	Mild	
C=C(C)[C@H]1CC/C(C)=C\C/C=C(/C)[C@@H](O)CC/C(COC(C)=O)=C\[C@@H]1OC(C)=O	ZINC000169321090	HJ	Annotated	Mild	
COc1cc(N[C@@H](C)CCCN[C@@H](C)CCCN)c2nc(C(C)(C)C)ccc2c1	ZINC000169321322	HJ	Annotated	Anodyne	
COc1cc(N[C@H](C)CCCN[C@@H](C)CCCN)c2nc(C(C)(C)C)ccc2c1	ZINC000169321324	HJ	Annotated	Anodyne	
COc1cc(N[C@@H](C)CCCN[C@H](C)CCCN)c2nc(C(C)(C)C)ccc2c1	ZINC000169321325	HJ	Annotated	Anodyne	
COc1cc(N[C@H](C)CCCN[C@H](C)CCCN)c2nc(C(C)(C)C)ccc2c1	ZINC000169321327	HJ	Annotated	Anodyne	
FC1(F)CCC(NC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)CC1	ZINC000169321452	HJ	Annotated	Reactive	
CC(=O)O[C@@H]1C/C(=C/C[C@]2(C)[C@@H](C)CC[C@@]3(C)[C@@H]2CCC[C@@]32CO2)[C@@H](OC(C)=O)O1	ZINC000169323197	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1C/C(=C/C[C@]2(C)[C@H](C)CC[C@@]3(C)[C@@H]2CCC[C@@]32CO2)[C@@H](OC(C)=O)O1	ZINC000169323200	HJ	Annotated	Anodyne	
O=C(Nc1cccnc1)C(=O)c1cc(Cc2ccc(C(F)(F)F)cc2)n2ccccc12	ZINC000169323268	HJ	Annotated	Anodyne	
CC(C)CCOC[C@]12C[C@H]3[C@@H](C)CC[C@@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000169323395	HJ	Annotated	Mild	
CC(C)CCOC[C@]12C[C@@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000169323397	HJ	Annotated	Mild	
CCCCCNc1c(-c2ccc(OCCO)cc2)nc2ccc(Br)cn12	ZINC000169326083	HJ	Annotated	Anodyne	
Cn1c2c(O)cccc2c(=O)c2c3c(c4c(c21)C=CC(C)(C)O4)C=C(O)C(C)(C)O3	ZINC000169326102	HJ	Annotated	Bother	
CCCCSC(=O)c1cc2cc(Br)c(Br)cc2oc1=O	ZINC000169326178	HJ	Annotated	Anodyne	
COc1cc(OC)c2c(c1)N(CCCCC[C@H]1CCC[C@]3(CC[C@H](C)O3)O1)C(=O)C2	ZINC000169326594	HJ	Annotated	Anodyne	
COc1cc(OC)c2c(c1)[C@@H](CCCC[C@H]1CCC[C@]3(CC[C@H](C)O3)O1)OC2=O	ZINC000169326599	HJ	Annotated	Anodyne	
Cc1nn(-c2ccccc2)c(-n2ccnc2)c1-c1cc(-c2ccccc2)nc(N)c1C#N	ZINC000169326831	HJ	Annotated	Mild	
Cc1cc2ncn(CCN(CCBr)Cc3ccc(F)cc3F)c2cc1C	ZINC000169327040	HJ	Annotated	Reactive	
CCO[C@H]1C[C@@H](c2coc3ccc(Br)cc3c2=O)N(c2ccccc2)O1	ZINC000169327140	HJ	Annotated	Anodyne	
CC(C)CC[C@H](O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000169327662	HJ	Annotated	Mild	
CC(C)CC[C@H](O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000169327666	HJ	Annotated	Mild	
Cc1nn(-c2ccccc2)c(-n2ccnc2)c1-c1cc(-c2cccs2)nc(N)c1C#N	ZINC000169327794	HJ	Annotated	Mild	
Cc1nn(C)c2nc3ccccc3c(NCCCNC34CC5CC(CC(C5)C3)C4)c12	ZINC000169328128	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2C[C@]23CC[C@@]2(C[C@@H]2c2ccc(OC)c(OC)c2)C3=O)cc1OC	ZINC000169328479	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2C(O)=C3Nc4ccccc4N3CN2c2ccc(OC)cc2)cc1	ZINC000169328940	HJ	Annotated	Clean	
C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCC[N+](C)(C)C)[C@H]4CC[C@]3(CC1=O)C2	ZINC000169329601	HJ	Annotated	Bother	
CCOC(=O)c1sc(SC(C)C)c(C#N)c1-c1cc(OC)c(OC)c(OC)c1	ZINC000169329719	HJ	Annotated	Mild	
CO[C@@H]1CC[C@H]2[C@H]3O[C@@H](C=C3/C=C/[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[C@@H]2O1	ZINC000169329763	HJ	Annotated	Mild	
CO[C@@H]1CC[C@H]2[C@H]3O[C@H](C=C3/C=C/[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[C@@H]2O1	ZINC000169329765	HJ	Annotated	Mild	
CO[C@@H]1CC[C@H]2[C@@H]3O[C@@H](C=C3/C=C/[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[C@@H]2O1	ZINC000169329769	HJ	Annotated	Mild	
CO[C@@H]1CC[C@H]2[C@@H]3O[C@H](C=C3/C=C/[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[C@@H]2O1	ZINC000169329771	HJ	Annotated	Mild	
Cc1ccc(-n2[nH]c(C)c(/N=N/c3c(O)cc(C(=O)O)c4ccccc34)c2=O)cc1	ZINC000169330018	HJ	Annotated	Clean	
Cc1[nH]n(-c2nc3ccc(Cl)cc3s2)c(=O)c1/N=N/c1ccc(C(=O)O)cc1	ZINC000169330057	HJ	Annotated	Clean	
COc1cccc2c1O[C@@H](CN1[C@@H]3C=C(n4ccc5cc(F)ccc54)C[C@@H]1CC3)CO2	ZINC000169330367	HJ	Annotated	Anodyne	
Cc1oc2c3c(ccc2c(=O)c1C)OC[C@H]1[C@@H]3C2=C(CC(C)(C)CC2=O)OC1(C)C	ZINC000169330925	HJ	Annotated	Mild	
CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCCCCC2)cc1	ZINC000169331070	HJ	Annotated	Clean	
O=C1CCC[C@@]12[C@@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21	ZINC000169331506	HJ	Annotated	Anodyne	
O=C1CCC[C@@]12[C@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21	ZINC000169331509	HJ	Annotated	Anodyne	
C[N+]12CCC(OC(=O)Nc3ncsc3-c3cccc(C(F)(F)F)c3)(CC1)CC2	ZINC000169331626	HJ	Annotated	Bother	
Cc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl	ZINC000169333084	HJ	Annotated	Anodyne	
CN(C)Cc1nnc(C2CC2)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl	ZINC000169333095	HJ	Annotated	Anodyne	
CCN(CC)C[C@@H](O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccc(Cl)cc12	ZINC000169333910	HJ	Annotated	Anodyne	
CCN(CC)C[C@H](O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccc(Cl)cc12	ZINC000169333911	HJ	Annotated	Anodyne	
CCN(CC)C[C@@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(Cl)c(OC)cc12	ZINC000169333958	HJ	Annotated	Anodyne	
CCN(CC)C[C@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(Cl)c(OC)cc12	ZINC000169333961	HJ	Annotated	Anodyne	
COc1cc(C(F)(F)F)c2nc(C(F)(F)F)cc([C@@H](O)C[C@@H]3CCCCN3)c2c1	ZINC000169333977	HJ	Annotated	Anodyne	
COc1cc(C(F)(F)F)c2nc(C(F)(F)F)cc([C@H](O)C[C@@H]3CCCCN3)c2c1	ZINC000169333979	HJ	Annotated	Anodyne	
O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccncc3)o2)cc1	ZINC000169333980	HJ	Annotated	Bother	
COc1cc(C(F)(F)F)c2nc(C(F)(F)F)cc([C@@H](O)C[C@H]3CCCCN3)c2c1	ZINC000169333981	HJ	Annotated	Anodyne	
COc1cc(C(F)(F)F)c2nc(C(F)(F)F)cc([C@H](O)C[C@H]3CCCCN3)c2c1	ZINC000169333982	HJ	Annotated	Anodyne	
CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[n+](C)c3ccccc23)cc1	ZINC000169334185	HJ	Annotated	Clean	
OC1=NC[C@@H]2[C@H](C=NN2Cc2ccccc2)[C@@H](c2ccc(Br)cc2)S1	ZINC000169334373	HJ	Annotated	Anodyne	
OC1=NC[C@H]2[C@H](C=NN2Cc2ccccc2)[C@@H](c2ccc(Br)cc2)S1	ZINC000169334377	HJ	Annotated	Anodyne	
CCN(CC)C[C@@H](O)c1cc(-c2ccc(OC)c(OC)c2)nc2cc(Cl)ccc12	ZINC000169334628	HJ	Annotated	Anodyne	
CCN(CC)C[C@H](O)c1cc(-c2ccc(OC)c(OC)c2)nc2cc(Cl)ccc12	ZINC000169334631	HJ	Annotated	Anodyne	
O[C@@H](CN1CCOCC1)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12	ZINC000169334847	HJ	Annotated	Anodyne	
O[C@H](CN1CCOCC1)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12	ZINC000169334849	HJ	Annotated	Anodyne	
CCN(CC)[C@@H](CO)C[C@@H](O)c1cc(-c2cccs2)nc2ccc(Cl)cc12	ZINC000169335280	HJ	Annotated	Anodyne	
CCN(CC)[C@H](CO)C[C@@H](O)c1cc(-c2cccs2)nc2ccc(Cl)cc12	ZINC000169335282	HJ	Annotated	Anodyne	
CCN(CC)[C@@H](CO)C[C@H](O)c1cc(-c2cccs2)nc2ccc(Cl)cc12	ZINC000169335283	HJ	Annotated	Anodyne	
CCN(CC)[C@H](CO)C[C@H](O)c1cc(-c2cccs2)nc2ccc(Cl)cc12	ZINC000169335285	HJ	Annotated	Anodyne	
C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1Cc1c(C)ccc(C(=O)OC)c1O	ZINC000169335960	HJ	Annotated	Mild	
O=C(O[C@@H]1CC[C@H]2CC[C@H]1N2CC1CC1)C(O)(C1CCCCC1)C1CCCCC1	ZINC000169336907	HJ	Annotated	Anodyne	
Cn1c2ccccc2c2cc(C3(COc4ncccc4-c4cncnc4)CC3)cnc21	ZINC000169337417	HJ	Annotated	Anodyne	
C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N/N=C/c1ccc([N+](=O)[O-])s1	ZINC000169338320	HJ	Annotated	Mild	
CO[C@H]1CC[C@H]2[C@@H]3C=C(/C=C/[C@H]4C(C)=CC(=O)[C@H]5C(C)(C)CCC[C@@]54C)[C@H](O3)[C@@H]2O1	ZINC000169340577	HJ	Annotated	Mild	
CO[C@H]1CC[C@H]2[C@H]3C=C(/C=C/[C@H]4C(C)=CC(=O)[C@H]5C(C)(C)CCC[C@@]54C)[C@H](O3)[C@@H]2O1	ZINC000169340578	HJ	Annotated	Mild	
CO[C@H]1CC[C@H]2[C@@H]3C=C(/C=C/[C@H]4C(C)=CC(=O)[C@H]5C(C)(C)CCC[C@@]54C)[C@@H](O3)[C@@H]2O1	ZINC000169340580	HJ	Annotated	Mild	
CO[C@H]1CC[C@H]2[C@H]3C=C(/C=C/[C@H]4C(C)=CC(=O)[C@H]5C(C)(C)CCC[C@@]54C)[C@@H](O3)[C@@H]2O1	ZINC000169340582	HJ	Annotated	Mild	
Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc3cc4c(cc3cc12)OCCO4	ZINC000169340917	HJ	Annotated	Anodyne	
C=C(C)[C@H]1CC/C(C)=C\C/C=C(\C)[C@H](O)CC/C(COC(C)=O)=C\[C@@H]1OC(C)=O	ZINC000169341003	HJ	Annotated	Mild	
C=C(C)[C@H]1CC/C(C)=C\C/C=C(/C)[C@H](O)CC/C(COC(C)=O)=C\[C@@H]1OC(C)=O	ZINC000169341005	HJ	Annotated	Mild	
CN1c2ccc(OCc3ccccc3)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21	ZINC000169341026	HJ	Annotated	Clean	
CN1c2ccc(OCc3ccccc3)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21	ZINC000169341027	HJ	Annotated	Clean	
CS(=O)(=O)c1cc(C(=O)O)c(NCc2ccccc2)cc1Sc1ccccc1	ZINC000169341358	HJ	Annotated	Anodyne	
CS(=O)(=O)c1cc(C(=O)O)cc(NCc2ccccc2)c1Sc1ccccc1	ZINC000169341369	HJ	Annotated	Anodyne	
CC[C@@H](C)CO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000169343108	HJ	Annotated	Mild	
CC[C@@H](C)CO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000169343109	HJ	Annotated	Mild	
CCC(Nc1cc(OC)c(OC)c(OC)c1)=C1C(=O)CC(c2ccccc2)CC1=O	ZINC000169343852	HJ	Annotated	Mild	
CC(C)[C@@H]1C(=O)c2c(cc(OCc3nnn[nH]3)c(Cl)c2Cl)[C@@H]1c1ccccc1	ZINC000169345793	HJ	Annotated	Anodyne	
CC(C)[C@H]1C(=O)c2c(cc(OCc3nnn[nH]3)c(Cl)c2Cl)[C@@H]1c1ccccc1	ZINC000169345794	HJ	Annotated	Anodyne	
CC(C)[C@@H]1C(=O)c2c(cc(OCc3nnn[nH]3)c(Cl)c2Cl)[C@H]1c1ccccc1	ZINC000169345795	HJ	Annotated	Anodyne	
CC(C)[C@H]1C(=O)c2c(cc(OCc3nnn[nH]3)c(Cl)c2Cl)[C@H]1c1ccccc1	ZINC000169345796	HJ	Annotated	Anodyne	
O=S(=O)(N[C@@H]1[C@@H]2CC[C@@H]1Cc1c(Cl)cccc1C2)c1ccc(Cl)s1	ZINC000169345911	HJ	Annotated	Anodyne	
O=S(=O)(N[C@@H]1[C@@H]2CC[C@@H]1Cc1cc(Cl)ccc1C2)c1ccc(Cl)s1	ZINC000169346486	HJ	Annotated	Anodyne	
C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)COC(=O)CCCC)[C@@H]1C/C=C1\C=COC1=O	ZINC000169346721	HJ	Annotated	Mild	
CCO[P@@](=O)(CC)c1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1	ZINC000169346806	HJ	Annotated	Bother	
CCO[P@](=O)(CC)c1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1	ZINC000169346808	HJ	Annotated	Bother	
CCO[P@@](=O)(CC)c1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1	ZINC000169346818	HJ	Annotated	Bother	
CCO[P@](=O)(CC)c1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1	ZINC000169346819	HJ	Annotated	Bother	
CCOP(=O)(OCC)c1cccc(Nc2cc(-c3ccccc3OC)ncn2)c1	ZINC000169346826	HJ	Annotated	Anodyne	
CCOP(=O)(OCC)c1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1	ZINC000169346828	HJ	Annotated	Anodyne	
C=C1CCC[C@@H]2Nc3ccc(C)cc3[C@]12CCNS(=O)(=O)c1ccc(Cl)cc1	ZINC000169346906	HJ	Annotated	Mild	
C=C1CCC[C@@H]2Nc3ccc(F)cc3[C@]12CCNS(=O)(=O)c1ccc(Cl)cc1	ZINC000169346908	HJ	Annotated	Mild	
N#CC1=C(N)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccc(Cl)cc2)[C@@H]2CCCC=C12	ZINC000169348512	HJ	Annotated	Reactive	
ClC(Cl)(Cl)c1nc2cc(I)ccc2n2cccc12	ZINC000169348645	HJ	Annotated	Anodyne	
N#CC1=C(N)[C@]2(C(=O)Nc3ccccc32)[C@@H](c2ccc(Cl)cc2)[C@@H]2CCCC=C12	ZINC000169348688	HJ	Annotated	Reactive	
C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)[C@@H](CC[C@H]3O[C@]32C)[C@](C)(CCC2=CC(=O)OC2)[C@@H]1C	ZINC000169348822	HJ	Annotated	Anodyne	
COc1ccc(C(=O)/C=C/c2ccc3[nH]c4c(c3c2)CC(=O)Nc2ncccc2-4)cc1	ZINC000169349946	HJ	Annotated	Mild	
COc1ccc(C(=O)/C=C/c2cccc3c4c([nH]c23)-c2cccnc2NC(=O)C4)cc1	ZINC000169349954	HJ	Annotated	Mild	
CN1CCc2c(c3cc(Cl)ccc3n2C(=O)c2ccccc2Br)C1	ZINC000169350481	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(C(=O)NCCn2c(C(F)(F)F)cc3ccccc32)cc1	ZINC000169351851	HJ	Annotated	Anodyne	
C[C@@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@@H]1c1ccc(N(C)C)cc1	ZINC000169352106	HJ	Annotated	Reactive	
C[C@@H]1C(=O)C[C@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@@H]1c1ccc(N(C)C)cc1	ZINC000169352108	HJ	Annotated	Reactive	
COc1ccc([C@@H]2[C@@H](C)C(=O)C[C@@H](c3ccc(Cl)cc3)N2C(=O)CCl)cc1	ZINC000169352138	HJ	Annotated	Reactive	
COc1ccc([C@@H]2[C@H](C)C(=O)C[C@@H](c3ccc(Cl)cc3)N2C(=O)CCl)cc1	ZINC000169352140	HJ	Annotated	Reactive	
COc1ccc(/C=C2\Oc3c(c(OC)c4ccoc4c3Br)C2=O)cc1	ZINC000169354120	HJ	Annotated	Mild	
C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCN(c4ccc(F)cc4)CC3)[C@@H]2CC/C(C)=C/CC1	ZINC000169354478	HJ	Annotated	Anodyne	
C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](CN3CCN(c4ccc(F)cc4)CC3)[C@@H]2CC1	ZINC000169354479	HJ	Annotated	Anodyne	
C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCN(c4ccc(F)cc4)CC3)[C@@H]2CC/C(C)=C\CC1	ZINC000169354480	HJ	Annotated	Anodyne	
C[C@H]1/C=C\CC(=O)N2[C@H](c3ccccc3)[C@H](C)C[C@@H]2CC(=O)N[C@H]1c1ccccc1	ZINC000169354622	HJ	Annotated	Anodyne	
C[C@H]1/C=C/CC(=O)N2[C@H](c3ccccc3)[C@H](C)C[C@@H]2CC(=O)N[C@H]1c1ccccc1	ZINC000169354623	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H]2CC(=O)N[C@@H](c3ccccc3)[C@@H](C)/C=C\CC(=O)N2[C@@H]1c1ccccc1	ZINC000169354624	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H]2CC(=O)N[C@@H](c3ccccc3)[C@@H](C)/C=C/CC(=O)N2[C@@H]1c1ccccc1	ZINC000169354625	HJ	Annotated	Anodyne	
C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@@]1(C)Cc3sc(NC(=O)C4CCCC4)nc3[C@@H](C)[C@@H]21	ZINC000169355382	HJ	Annotated	Anodyne	
C[C@@H]1c2nc(NC(=O)C3CCCC3)sc2C[C@]2(C)CC[C@@H]3[C@@H](C)C(=O)O[C@H]3[C@H]12	ZINC000169355383	HJ	Annotated	Anodyne	
C[C@@H]1C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)Cc3sc(NC(=O)C4CCCC4)nc3[C@@H](C)[C@@H]21	ZINC000169355384	HJ	Annotated	Anodyne	
C[C@@H]1c2nc(NC(=O)C3CCCC3)sc2C[C@]2(C)CC[C@H]3[C@H](OC(=O)[C@@H]3C)[C@H]12	ZINC000169355385	HJ	Annotated	Anodyne	
CS[C@H]1CC(=O)C=C2[C@@H]3C[C@@H]3[C@H]3[C@@H]4[C@@H]5C[C@@H]5[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C	ZINC000169356101	HJ	Annotated	Mild	
CS[C@H]1CC(=O)C=C2[C@H]3C[C@@H]3[C@H]3[C@@H]4[C@@H]5C[C@@H]5[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C	ZINC000169356102	HJ	Annotated	Mild	
CS[C@H]1CC(=O)C=C2[C@@H]3C[C@H]3[C@H]3[C@@H]4[C@@H]5C[C@@H]5[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C	ZINC000169356105	HJ	Annotated	Mild	
O[C@@H]1C[C@@H](c2ccc(Cl)cc2)N(CC2CCCCC2)C[C@@H]1n1cc(C2CC2)nn1	ZINC000169356303	HJ	Annotated	Anodyne	
O[C@H]1C[C@@H](c2ccc(Cl)cc2)N(CC2CCCCC2)C[C@@H]1n1cc(C2CC2)nn1	ZINC000169356304	HJ	Annotated	Anodyne	
O[C@@H]1C[C@H](c2ccc(Cl)cc2)N(CC2CCCCC2)C[C@@H]1n1cc(C2CC2)nn1	ZINC000169356305	HJ	Annotated	Anodyne	
C[C@H]1/C=C\CC(=O)N[C@H](c2ccccc2)[C@H](C)/C=C\CC(=O)N[C@H]1c1ccccc1	ZINC000169356405	HJ	Annotated	Anodyne	
C[C@H]1/C=C\CC(=O)N[C@H](c2ccccc2)[C@H](C)/C=C/CC(=O)N[C@H]1c1ccccc1	ZINC000169356406	HJ	Annotated	Anodyne	
C[C@H]1/C=C/CC(=O)N[C@H](c2ccccc2)[C@H](C)/C=C\CC(=O)N[C@H]1c1ccccc1	ZINC000169356407	HJ	Annotated	Anodyne	
CN(C)C12C[C@H](NCCN3CCCC3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2	ZINC000169356920	HJ	Annotated	Anodyne	
CN(C)C12C[C@H](NCN3CCCC3)C([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2	ZINC000169357008	HJ	Annotated	Anodyne	
CCCCCCN1C[C@@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccc(Cl)cc1	ZINC000169358723	HJ	Annotated	Anodyne	
COc1ccc([C@H]2CC3(N4CCCCC4)C[C@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1	ZINC000169361487	HJ	Annotated	Anodyne	
COc1ccc([C@H]2CC3(N4CCCCC4)C[C@H](O)C2[C@@H](c2ccc(OC)cc2)C3)cc1	ZINC000169361488	HJ	Annotated	Anodyne	
CC(C)=CC(=O)O[C@@H]1/C=C\[C@@](C)(C/C=C/C(C)(C)O)C/C=C(/C=O)CC[C@@H]2O[C@]21C	ZINC000169362405	HJ	Annotated	Reactive	
CC(C)=CC(=O)O[C@@H]1/C=C\[C@@](C)(C/C=C/C(C)(C)O)C/C=C(\C=O)CC[C@@H]2O[C@]21C	ZINC000169362406	HJ	Annotated	Reactive	
CC(C)=CC(=O)O[C@@H]1/C=C/[C@@](C)(C/C=C/C(C)(C)O)C/C=C(\C=O)CC[C@@H]2O[C@]21C	ZINC000169362407	HJ	Annotated	Reactive	
C=C1CC/C=C(/C)CC[C@@H]2C([C@@H](C[C@@H]3OC3(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12	ZINC000169363818	HJ	Annotated	Mild	
C=C1CC/C=C(/C)CC[C@@H]2C([C@H](C[C@@H]3OC3(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12	ZINC000169363819	HJ	Annotated	Mild	
CC(=O)O[C@@H]1/C(C)=C\C[C@H](O)/C(C)=C\CC/C(C)=C\C=C(/C(C)C)[C@H]1OC(C)=O	ZINC000169363896	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1/C(C)=C/C[C@H](O)/C(C)=C\CC/C(C)=C\C=C(/C(C)C)[C@H]1OC(C)=O	ZINC000169363897	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1/C(C)=C\C[C@H](O)/C(C)=C/CC/C(C)=C\C=C(/C(C)C)[C@H]1OC(C)=O	ZINC000169363898	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1/C(C)=C\CC/C(C)=C\[C@H](O)C/C(C)=C\C=C(/C(C)C)[C@H]1OC(C)=O	ZINC000169363956	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1/C(C)=C/CC/C(C)=C\[C@H](O)C/C(C)=C\C=C(/C(C)C)[C@H]1OC(C)=O	ZINC000169363957	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1/C(C)=C\CC/C(C)=C/[C@H](O)C/C(C)=C\C=C(/C(C)C)[C@H]1OC(C)=O	ZINC000169363958	HJ	Annotated	Anodyne	
CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)OC[C@@H](C)[C@@H]4OCC)O[C@@H](C)CC3=O	ZINC000169365634	HJ	Annotated	Anodyne	
COc1ccc([C@H]2CC3(N4CCCC4)C[C@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1	ZINC000169365682	HJ	Annotated	Anodyne	
COc1ccc([C@H]2CC3(N4CCCC4)C[C@H](O)C2[C@@H](c2ccc(OC)cc2)C3)cc1	ZINC000169365683	HJ	Annotated	Anodyne	
CCCCC#CC(=O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000169366974	HJ	Annotated	Mild	
CCCCC#CC(=O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000169366975	HJ	Annotated	Mild	
CC(=O)O[C@H]1/C=C(\C)CC[C@H](O)[C@@](C)(SC#N)CC[C@@H](C(C)C)/C=C\[C@@](C)(O)C1	ZINC000169367891	HJ	Annotated	Reactive	
CC(=O)O[C@H]1/C=C(/C)CC[C@H](O)[C@@](C)(SC#N)CC[C@@H](C(C)C)/C=C\[C@@](C)(O)C1	ZINC000169367892	HJ	Annotated	Reactive	
CC(=O)O[C@H]1/C=C(/C)CC[C@H](O)[C@@](C)(SC#N)CC[C@@H](C(C)C)/C=C/[C@@](C)(O)C1	ZINC000169367893	HJ	Annotated	Reactive	
C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@]23OO4	ZINC000169371227	HJ	Annotated	Reactive	
C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@]23OO4	ZINC000169371228	HJ	Annotated	Reactive	
COc1cccc2c1O[C@@H](CN1[C@@H]3C=C(c4cccc5cccnc45)C[C@@H]1CC3)CO2	ZINC000169372963	HJ	Annotated	Anodyne	
C[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1cc(Cl)ccc1N1CCCC[C@@H]1C	ZINC000169373248	HJ	Annotated	Anodyne	
CCCCCC[C@@]12Cc3cc(OC)c(OC)cc3[C@@H](O1)c1c(cc(C)oc1=O)O2	ZINC000169528915	HJ	Annotated	Anodyne	 
CC(=O)O[C@@H]1C/C(C)=C/CC[C@]2(C)O[C@H]2C[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12	ZINC000169644505	HJ	Annotated	Anodyne	
COc1cc2ncc3c(c(-c4ccc(-c5ccn[nH]5)cc4)nn3C)c2cc1-c1cn[nH]c1	ZINC000169685062	HJ	Annotated	Anodyne	
COc1cc(Nc2cncc(Oc3ccc([C@@H](C)N=O)cc3)n2)cc(OC)c1OC	ZINC000169686082	HJ	Annotated	Anodyne	
COc1cc(Nc2cncc(Oc3ccc([C@H](C)N=O)cc3)n2)cc(OC)c1OC	ZINC000169686083	HJ	Annotated	Anodyne	
COc1cc(Nc2cncc(Oc3ccc4c(c3)[C@@H](N=O)CC4)n2)cc(OC)c1OC	ZINC000169686086	HJ	Annotated	Anodyne	
COc1cc(Nc2cncc(Oc3ccc4c(c3)[C@H](N=O)CC4)n2)cc(OC)c1OC	ZINC000169686087	HJ	Annotated	Anodyne	
COc1cc([C@@H]2c3c(c(O)n(-c4ccccc4)c3O)ON2c2ccccc2)ccc1O	ZINC000169687503	HJ	Annotated	Anodyne	
COc1cc([C@H]2c3c(c(O)n(-c4ccccc4)c3O)ON2c2ccccc2)ccc1O	ZINC000169687504	HJ	Annotated	Anodyne	
C=CCN(C(=O)Nc1ccc(Cl)cc1)c1cc(O)n(-c2ccc(OC)cc2)c1O	ZINC000169688008	HJ	Annotated	Mild	
COc1ccccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(N(C)C)cc1	ZINC000169688256	HJ	Annotated	Anodyne	
COc1ccc(-c2cnnc(/N=N/Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)n2)cc1	ZINC000169688386	HJ	Annotated	Clean	
Cc1ccc(-n2c(O)c3c(c2O)[C@@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@@H]32)cc1	ZINC000169688649	HJ	Annotated	Anodyne	
Cc1ccc(-n2c(O)c3c(c2O)[C@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@@H]32)cc1	ZINC000169688650	HJ	Annotated	Anodyne	
Cc1n[nH]c(C)c1Sc1ccccc1/N=C/[c-]1cc(Cl)cc([N+](=O)[O-])c1=O	ZINC000169688840	HJ	Annotated	Mild	
O=C1N=C(N2C=CC(c3ccncc3)C=C2)/C(=C/N=N/C(=O)c2ccccc2O)S1	ZINC000169689015	HJ	Annotated	Clean	
CSc1sc(C)cc1[C@@H]1C2=C(CCCC2=O)N(c2cccnc2)C(=N)[C@@H]1C#N	ZINC000169689292	HJ	Annotated	Mild	
CSc1sc(C)cc1[C@H]1C2=C(CCCC2=O)N(c2cccnc2)C(=N)[C@@H]1C#N	ZINC000169689293	HJ	Annotated	Mild	
Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1C2=C(CC(C)(C)CC2=O)OC(=N)[C@@H]1C#N	ZINC000169689413	HJ	Annotated	Mild	
Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1C2=C(CC(C)(C)CC2=O)OC(=N)[C@@H]1C#N	ZINC000169689414	HJ	Annotated	Mild	
Oc1c(Br)cc(Br)cc1C/N=N/c1ccc(Cl)nn1	ZINC000169689680	HJ	Annotated	Clean	
N#C[C@@H]1c2nc(=N)c3ccccc3n2C2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1	ZINC000169689861	HJ	Annotated	Mild	
N#C[C@H]1c2nc(=N)c3ccccc3n2C2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1	ZINC000169689862	HJ	Annotated	Mild	
O=c1ccc([N+](=O)[O-])c[c-]1/C=N/c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1	ZINC000169690035	HJ	Annotated	Mild	
COc1cccc(C/N=N/c2cc(-n3nc(C)cc3-c3ccccc3)ncn2)c1O	ZINC000169690137	HJ	Annotated	Clean	
CCCOc1ccc(-n2c(O)cc(S/C(=N/c3ccc(F)cc3)NC)c2O)cc1	ZINC000169690413	HJ	Annotated	Mild	
Cc1cc(C/N=N/c2nc(N)ncc2[N+](=O)[O-])c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000169690462	HJ	Annotated	Clean	
Cc1ccccc1CSc1nc2n(n1)[C@@H](c1cccs1)[C@@H]1C(=O)CCCC1=N2	ZINC000169690535	HJ	Annotated	Anodyne	
Cc1ccccc1CSc1nc2n(n1)[C@H](c1cccs1)[C@H]1C(=O)CCCC1=N2	ZINC000169690536	HJ	Annotated	Anodyne	
CC(C)Sc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)[C@@H]1C(=O)CC(C)(C)CC1=N2	ZINC000169690599	HJ	Annotated	Anodyne	
CC(C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)[C@H]1C(=O)CC(C)(C)CC1=N2	ZINC000169690600	HJ	Annotated	Anodyne	
COC(=O)c1cccc(Cn2c(Cl)c(C/N=N/c3ccccc3C)sc2=O)c1	ZINC000169691206	HJ	Annotated	Clean	
O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1cc(O)n(-c2ccccc2)c1O	ZINC000169691215	HJ	Annotated	Clean	
Cc1ccc(-n2c(O)c(/C=N/c3ccc4c(c3)OCO4)c3ccccc3c2=O)cc1C	ZINC000169691527	HJ	Annotated	Mild	
Cc1ccc(S(=O)(=O)Oc2cccc(C/N=N/c3ccc(C(=O)O)cc3)c2)cc1	ZINC000169692010	HJ	Annotated	Clean	
CC(=O)Oc1ccc(C(=O)O[C@@H]2C/C=C(\C)CCCC(C)(C)[C@H](O)/C=C\2C)cc1	ZINC000169692859	HJ	Annotated	Anodyne	
CC(=O)Oc1ccc(C(=O)O[C@@H]2C/C=C(/C)CCCC(C)(C)[C@H](O)/C=C\2C)cc1	ZINC000169692860	HJ	Annotated	Anodyne	
CC(=O)Oc1ccc(C(=O)O[C@@H]2C/C=C(/C)CCCC(C)(C)[C@H](O)/C=C/2C)cc1	ZINC000169692861	HJ	Annotated	Anodyne	
CCSc1sccc1[C@@H]1C2=C(CCCC2=O)N(c2cccnc2)C(=N)[C@@H]1C#N	ZINC000169693084	HJ	Annotated	Mild	
CCSc1sccc1[C@H]1C2=C(CCCC2=O)N(c2cccnc2)C(=N)[C@@H]1C#N	ZINC000169693085	HJ	Annotated	Mild	
Cc1cc(/N=N/[C@@H](C)c2cn(C)n(-c3ccccc3)c2=O)c2cc3c(cc2n1)OCO3	ZINC000169693546	HJ	Annotated	Clean	
Cc1cc(/N=N/[C@H](C)c2cn(C)n(-c3ccccc3)c2=O)c2cc3c(cc2n1)OCO3	ZINC000169693547	HJ	Annotated	Clean	
O=C1N=C(N2C=CC(c3ccncc3)C=C2)/C(=C/N=N/C(=O)c2ccccc2)S1	ZINC000169693888	HJ	Annotated	Clean	
C/C(=N\NC(=N)Sc1cc(O)n(-c2cccc(Cl)c2)c1O)c1cccs1	ZINC000169693978	HJ	Annotated	Mild	
COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(C)C)cc1	ZINC000169694902	HJ	Annotated	Anodyne	
COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(C)C)cc1	ZINC000169694903	HJ	Annotated	Anodyne	
COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(C)C)cc1	ZINC000169694904	HJ	Annotated	Anodyne	
COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(C)C)cc1	ZINC000169694905	HJ	Annotated	Anodyne	
CCCc1ccc(N2C(=O)C(=O)[C@@H](C(=O)C(C)(C)C)[C@@H]2c2ccccc2OC)cc1	ZINC000169694914	HJ	Annotated	Anodyne	
CCCc1ccc(N2C(=O)C(=O)[C@H](C(=O)C(C)(C)C)[C@@H]2c2ccccc2OC)cc1	ZINC000169694915	HJ	Annotated	Anodyne	
CCCc1ccc(N2C(=O)C(=O)[C@@H](C(=O)C(C)(C)C)[C@H]2c2ccccc2OC)cc1	ZINC000169694916	HJ	Annotated	Anodyne	
CCCc1ccc(N2C(=O)C(=O)[C@H](C(=O)C(C)(C)C)[C@H]2c2ccccc2OC)cc1	ZINC000169694917	HJ	Annotated	Anodyne	
COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(C)(C)C)cc1	ZINC000169694918	HJ	Annotated	Anodyne	
COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(C)(C)C)cc1	ZINC000169694919	HJ	Annotated	Anodyne	
COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(C)(C)C)cc1	ZINC000169694920	HJ	Annotated	Anodyne	
COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(C)(C)C)cc1	ZINC000169694921	HJ	Annotated	Anodyne	
Cc1ncccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1	ZINC000169695173	HJ	Annotated	Anodyne	
Cc1ncccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1	ZINC000169695174	HJ	Annotated	Anodyne	
Cc1ncccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1	ZINC000169695175	HJ	Annotated	Anodyne	
Cc1ncccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1	ZINC000169695176	HJ	Annotated	Anodyne	
COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(CN(C)C)cc1	ZINC000169696825	HJ	Annotated	Anodyne	
CC(C)(C)c1[nH]nc2c1[C@@H](c1ccccc1O)N(c1ccc(-c3ccon3)cc1)C2=O	ZINC000169696859	HJ	Annotated	Clean	
C=C(C)c1[nH]nc2c1[C@@H](c1ccccc1OC)N(c1ccc(-c3ccon3)cc1)C2=O	ZINC000169696891	HJ	Annotated	Mild	
COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(C(C)(C)O)cc1	ZINC000169696892	HJ	Annotated	Anodyne	
COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(C(C)=O)cc1	ZINC000169696893	HJ	Annotated	Anodyne	
COc1ccc(-c2n[nH]c3c2[C@@H](C2CCCCC2)N(Cc2cc(C)on2)C3=O)cc1	ZINC000169696931	HJ	Annotated	Anodyne	
Cc1cn(C2CCN(S(=O)(=O)c3ccc(OC(C)C)cc3)CC2)c2ccccc12	ZINC000169699800	HJ	Annotated	Anodyne	
CCOC(=O)COc1cc(Br)c(C/N=N/c2ccccc2)cc1OC	ZINC000169700584	HJ	Annotated	Clean	
CCOC(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)C1=Nc2ccccc2SC1	ZINC000169701106	HJ	Annotated	Mild	
O=C1NC(=S)C/C1=C\c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1	ZINC000169701108	HJ	Annotated	Bother	
O=C(NO)c1ccc(CCC(=O)c2[nH]c(-c3ccc(O)cc3)cc2-c2ccoc2)cc1	ZINC000169701394	HJ	Annotated	Anodyne	
[C-]#[N+]c1cccc(Cl)c1-c1nc2ccnc(Nc3cc(CO)nc(C)n3)c2s1	ZINC000169701533	HJ	Annotated	Anodyne	
Cc1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2Cl)C[C@@H]3C)nn1C	ZINC000169702159	HJ	Annotated	Anodyne	
Cc1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2Cl)C[C@H]3C)nn1C	ZINC000169702160	HJ	Annotated	Anodyne	
C[C@@H](c1ccc(Br)cc1)N1CCC2(OC1=O)[C@H]1CC3C[C@@H]2CC(O)(C3)C1	ZINC000169703343	HJ	Annotated	Anodyne	
CCc1[nH]c(=O)c(Cc2cccc(-c3cccc(N)c3)c2)c2cc(OC)c(OC)cc12	ZINC000169703353	HJ	Annotated	Anodyne	
CCCc1[nH]c(=O)c(Cc2cnc3cc(OC)ccc3c2)c2cc(OC)c(OC)cc12	ZINC000169703372	HJ	Annotated	Anodyne	
CCCc1[nH]c(=O)c(Cc2cnc3ccc(OC)cc3c2)c2cc(OC)c(OC)cc12	ZINC000169703385	HJ	Annotated	Anodyne	
CC(C)(C)n1c(-c2ccnc(Br)c2)nc2cc(-c3cnc(N)nc3)ccc21	ZINC000169703415	HJ	Annotated	Anodyne	
N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(O)c4)n3)c(Cl)cn2)CC1	ZINC000169703648	HJ	Annotated	Anodyne	
NC[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccnc4)n3)c(Cl)cn2)CC1	ZINC000169703657	HJ	Annotated	Anodyne	
NC[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4ccncc4)n3)c(Cl)cn2)CC1	ZINC000169703659	HJ	Annotated	Anodyne	
COCCCNc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1	ZINC000169703747	HJ	Annotated	Anodyne	
O[C@@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1	ZINC000169703776	HJ	Annotated	Anodyne	
OCCCCNc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1	ZINC000169703777	HJ	Annotated	Anodyne	
N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1	ZINC000169703782	HJ	Annotated	Anodyne	
COc1cc2ncc3c(c(-c4ccc(C#N)cc4F)nn3C)c2cc1-c1cccnc1	ZINC000169704848	HJ	Annotated	Mild	
CC(C)(C)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2C2CCCCCC2)c1	ZINC000169707026	HJ	Annotated	Anodyne	
CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CCC2CCCCC2)c1	ZINC000169707050	HJ	Annotated	Anodyne	
CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2CCC2CCCCC2)c1	ZINC000169707051	HJ	Annotated	Anodyne	
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2/C=C/CCCCC2)c1=O	ZINC000169707541	HJ	Annotated	Anodyne	
O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2/C=C/CCCCC2)c1=O	ZINC000169707542	HJ	Annotated	Anodyne	
CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccc(Cl)cc3)c2)c2cncnc21	ZINC000169707888	HJ	Annotated	Anodyne	
CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)C4(C)CC4)cc3)C2)ccn1	ZINC000169709432	HJ	Annotated	Anodyne	
CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)C4(C)CC4)cc3)C2)ccn1	ZINC000169709433	HJ	Annotated	Anodyne	
CC(C)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1	ZINC000169709468	HJ	Annotated	Anodyne	
CC(C)C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1	ZINC000169709469	HJ	Annotated	Anodyne	
O=C(N[C@@H]1CC[C@@H](CCN2CCC(c3coc4ccccc34)CC2)CC1)[C@@H]1CCOC1	ZINC000169711121	HJ	Annotated	Anodyne	
O=C(N[C@@H]1CC[C@@H](CCN2CCC(c3coc4ccccc34)CC2)CC1)[C@H]1CCOC1	ZINC000169711122	HJ	Annotated	Anodyne	
C=c1c(O)c(O)cc2c1=CC=C1[C@@]3(C)CC[C@@]4(C)CC(=O)[C@H](C)C[C@H]4[C@]3(C)CC[C@]12C	ZINC000169715810	HJ	Annotated	Clean	
COc1ccccc1SC(=N)[C@H](C#N)[C@H](C#N)C(=N)Sc1ccccc1OC	ZINC000169715844	HJ	Annotated	Mild	
N#C[C@H](c1ccnc(NCCn2ccc3ccccc32)n1)c1nc2ccccc2s1	ZINC000169718879	HJ	Annotated	Mild	
N#C[C@@H](c1ccnc(NCCn2ccc3ccccc32)n1)c1nc2ccccc2s1	ZINC000169718880	HJ	Annotated	Mild	
O=c1n(-c2ccccc2)c(O)c(-c2ccc(Br)cc2)n1-c1ccccc1	ZINC000169719334	HJ	Annotated	Anodyne	
CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2C1=[N+]([O-])Cc1ccccc1	ZINC000169720128	HJ	Annotated	Mild	
COC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1	ZINC000169720309	HJ	Annotated	Anodyne	
COC(=O)[C@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1	ZINC000169720310	HJ	Annotated	Anodyne	
CC(=O)n1c(O)c(-c2sc(=S)n(CCCCCC(=O)O)c2O)c2ccccc21	ZINC000169720335	HJ	Annotated	Anodyne	
COc1ccc(C(=C/Cc2ccco2)/N=N/c2nc3ccccc3c(=O)n2C)cc1	ZINC000169720507	HJ	Annotated	Clean	
COc1ccc([C@@H]2c3c(nc4c(c3N)CCCC4)N=C3CC(C)(C)CC(=O)[C@@H]32)cc1	ZINC000169720985	HJ	Annotated	Anodyne	
COc1ccc([C@H]2c3c(nc4c(c3N)CCCC4)N=C3CC(C)(C)CC(=O)[C@@H]32)cc1	ZINC000169720986	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2c3c(nc4c(c3N)CCCC4)N=C3CC(C)(C)CC(=O)[C@H]32)cc1	ZINC000169720987	HJ	Annotated	Anodyne	
COc1ccc([C@H]2c3c(nc4c(c3N)CCCC4)N=C3CC(C)(C)CC(=O)[C@H]32)cc1	ZINC000169720988	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4Cl)CC3=O)OC(=N)[C@@H]2C#N)cc1	ZINC000169721893	HJ	Annotated	Mild	
COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4Cl)CC3=O)OC(=N)[C@@H]2C#N)cc1	ZINC000169721894	HJ	Annotated	Mild	
CN(C(=O)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1)c1cccc2cccnc12	ZINC000169722002	HJ	Annotated	Anodyne	
CC(C)Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(N(C)C)cc2)[C@@H](C#N)C(=N)O3)cc1	ZINC000169723814	HJ	Annotated	Mild	
CC(C)Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(N(C)C)cc2)[C@@H](C#N)C(=N)O3)cc1	ZINC000169723815	HJ	Annotated	Mild	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000169723969	HJ	Annotated	Anodyne	
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000169723970	HJ	Annotated	Anodyne	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000169723971	HJ	Annotated	Anodyne	
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000169723972	HJ	Annotated	Anodyne	
CC1=Nc2[nH]ncc2[C@@H](c2cccs2)[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000169724264	HJ	Annotated	Anodyne	
CC1=Nc2[nH]ncc2[C@H](c2cccs2)[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000169724265	HJ	Annotated	Anodyne	
CC1=Nc2[nH]ncc2[C@@H](c2cccs2)[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000169724266	HJ	Annotated	Anodyne	
CC1=Nc2[nH]ncc2[C@H](c2cccs2)[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000169724267	HJ	Annotated	Anodyne	
COc1ccc(NC(=O)[C@@H]2C(C)=Nc3nc4ccccc4n3[C@@H]2c2ccco2)cc1	ZINC000169724296	HJ	Annotated	Anodyne	
COc1ccc(NC(=O)[C@H]2C(C)=Nc3nc4ccccc4n3[C@@H]2c2ccco2)cc1	ZINC000169724297	HJ	Annotated	Anodyne	
COc1ccc(NC(=O)[C@@H]2C(C)=Nc3nc4ccccc4n3[C@H]2c2ccco2)cc1	ZINC000169724298	HJ	Annotated	Anodyne	
COc1ccc(NC(=O)[C@H]2C(C)=Nc3nc4ccccc4n3[C@H]2c2ccco2)cc1	ZINC000169724299	HJ	Annotated	Anodyne	
COc1ccc2cc3n(cc-2/c1=N/Cc1ccccc1)CCc1cc2c(cc1-3)OCO2	ZINC000169725104	HJ	Annotated	Anodyne	
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1cccc(-c2cccnc2)c1	ZINC000169728355	HJ	Annotated	Anodyne	
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1cccc(-c2cccnc2)c1	ZINC000169728356	HJ	Annotated	Anodyne	
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1cccc(-c2cccnc2)c1	ZINC000169728357	HJ	Annotated	Anodyne	
COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@H]1c1cccc(-c2cccnc2)c1	ZINC000169728358	HJ	Annotated	Anodyne	
COc1ccc(OC)c(-c2cccc3c(N)c4c(=O)n(C5CC(C)C5)cc-4[nH]c23)c1	ZINC000169729116	HJ	Annotated	Anodyne	
COc1ccc(OC)c(-c2cccc3c(N)c4c(=O)n(C5CCCC5)cc-4[nH]c23)c1	ZINC000169729117	HJ	Annotated	Anodyne	
CCC(C)(C)n1cc2[nH]c3c(-c4cc(OC)ccc4OC)cccc3c(N)c-2c1=O	ZINC000169729121	HJ	Annotated	Anodyne	
COc1ccc(OC)c(-c2c(F)ccc3c(N)c4c(=O)n(C5CCC5)cc-4[nH]c23)c1	ZINC000169729126	HJ	Annotated	Anodyne	
CC(C)N1C[C@@H](OC(=O)c2ccccc2-c2ccccc2)[C@@H]2C[C@@H]1[C@@H]1OC(C)(C)O[C@@H]21	ZINC000169729223	HJ	Annotated	Anodyne	
CC(C)N1C[C@H](OC(=O)c2ccccc2-c2ccccc2)[C@@H]2C[C@@H]1[C@@H]1OC(C)(C)O[C@@H]21	ZINC000169729224	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2NC(=O)N=C(C)[C@@H]2C(C)=O)ccc1OCc1ccccc1Cl	ZINC000169729854	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2NC(=O)N=C(C)[C@@H]2C(C)=O)ccc1OCc1ccccc1Cl	ZINC000169729855	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2NC(=O)N=C(C)[C@H]2C(C)=O)ccc1OCc1ccccc1Cl	ZINC000169729856	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2NC(=O)N=C(C)[C@H]2C(C)=O)ccc1OCc1ccccc1Cl	ZINC000169729857	HJ	Annotated	Anodyne	
S=C1N=C2/C(=C/c3ccc(Cl)cc3)CNC[C@@H]2[C@@H](c2ccc(Cl)cc2)N1	ZINC000169729947	HJ	Annotated	Anodyne	
S=C1N=C2/C(=C/c3ccc(Cl)cc3)CNC[C@H]2[C@@H](c2ccc(Cl)cc2)N1	ZINC000169729948	HJ	Annotated	Anodyne	
S=C1N=C2/C(=C/c3ccc(Cl)cc3)CNC[C@@H]2[C@H](c2ccc(Cl)cc2)N1	ZINC000169729949	HJ	Annotated	Anodyne	
S=C1N=C2/C(=C/c3ccc(Cl)cc3)CNC[C@H]2[C@H](c2ccc(Cl)cc2)N1	ZINC000169729950	HJ	Annotated	Anodyne	
S=C1N=C2/C(=C/c3ccccc3Cl)CNC[C@@H]2[C@@H](c2ccccc2Cl)N1	ZINC000169729971	HJ	Annotated	Anodyne	
S=C1N=C2/C(=C/c3ccccc3Cl)CNC[C@H]2[C@@H](c2ccccc2Cl)N1	ZINC000169729972	HJ	Annotated	Anodyne	
S=C1N=C2/C(=C/c3ccccc3Cl)CNC[C@@H]2[C@H](c2ccccc2Cl)N1	ZINC000169729973	HJ	Annotated	Anodyne	
S=C1N=C2/C(=C/c3ccccc3Cl)CNC[C@H]2[C@H](c2ccccc2Cl)N1	ZINC000169729974	HJ	Annotated	Anodyne	
Cc1c2c(c(C#N)c3c4ccccc4n(COCC[Si](C)(C)C)c13)C(=O)N(C)C2=O	ZINC000169857907	HJ	Annotated	Mild	
C=C(C)[C@@H]1C[C@]2(C)[C@H](C)C[C@@H](OC(=O)/C(C)=C\C)C[C@H]2[C@H](OC(=O)/C(C)=C\C)[C@@H]1O	ZINC000017109010	HJ	Annotated	Mild	 
c1ccc(COC[C@@H]2O[C@H]3c4ccccc4CO[C@H]3[C@@H]2OCc2ccccc2)cc1	ZINC000017192012	HJ	Annotated	Anodyne	
c1ccc(COC[C@@H]2O[C@@H]3c4ccccc4CO[C@H]3[C@@H]2OCc2ccccc2)cc1	ZINC000017192019	HJ	Annotated	Anodyne	
Cn1nc(-c2ccccc2)c(C(=O)/C=C/c2ccc(Cl)cc2)c(N2CCCC2)c1=O	ZINC000017196013	HJ	Annotated	Mild	
CCN(CC)c1c(C(=O)/C=C/c2ccc(Cl)cc2)c(-c2ccccc2)nn(C)c1=O	ZINC000017196786	HJ	Annotated	Mild	
Brc1ccc(/N=c2/nc3ccccn3n3nc(-c4ccccc4)cc23)cc1	ZINC000017213102	HJ	Annotated	Anodyne	
C[C@@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2[nH]c3ccc(Br)cc3c21	ZINC000017213510	HJ	Annotated	Anodyne	
C=CC/C=C\Cc1csc(C(C)(C)[C@H](O)C/C=C\C(=C)CCNC(=O)OC)n1	ZINC000017215552	HJ	Annotated	Mild	
C=CC/C=C\Cc1csc(C(C)(C)[C@H](O)C/C=C/C(=C)CCNC(=O)OC)n1	ZINC000017215555	HJ	Annotated	Mild	
COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CCCC[C@H]4[C@H]3C2=O)cc1	ZINC000017217174	HJ	Annotated	Anodyne	
COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C)C[C@H]4[C@H]3C2=O)cc1	ZINC000017217179	HJ	Annotated	Anodyne	
COCCCN1C(=O)[C@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@H](C(C)(C)C)C[C@@H]3[C@H]2C1=O	ZINC000017221515	HJ	Annotated	Anodyne	
Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@H](/C=C/c1ccccc1)SC(N)=N2	ZINC000017222142	HJ	Annotated	Anodyne	
CC1(C)CC(=O)C2=C(C1)[C@H](c1ccccc1Cl)[C@@H]1C(=O)CC(C)(C)C[C@@]1(O)O2	ZINC000017249188	HJ	Annotated	Mild	
CC1(C)CC(=O)C2=C(C1)[C@H](c1ccccc1Cl)[C@H]1C(=O)CC(C)(C)C[C@@]1(O)O2	ZINC000017249193	HJ	Annotated	Mild	
Fc1ccc(C2=CCN([C@@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)cc1	ZINC000170112502	HJ	Annotated	Anodyne	
Fc1ccc(C2=CCN([C@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)cc1	ZINC000170112505	HJ	Annotated	Anodyne	
C[C@H]([C@@H]1CCCCN1)[C@@H]1[C@@H](O)C[C@@H]2[C@@H]3C=C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000017654137	HJ	Annotated	Anodyne	 
CCCCCCCC1=Cc2ccccc2[C@@H]([C@@H](C(C)=O)C(=O)OC)N1C(=O)OC	ZINC000017654497	HJ	Annotated	Mild	
CCCCCCCC1=Cc2ccccc2[C@H]([C@@H](C(C)=O)C(=O)OC)N1C(=O)OC	ZINC000017654500	HJ	Annotated	Mild	
CCCCCCCC1=Cc2ccccc2[C@@H]([C@H](C(C)=O)C(=O)OC)N1C(=O)OC	ZINC000017654502	HJ	Annotated	Mild	
CCCCCCCC1=Cc2ccccc2[C@H]([C@H](C(C)=O)C(=O)OC)N1C(=O)OC	ZINC000017654504	HJ	Annotated	Mild	
COc1ccc([C@H]2C=CCN(Cc3ccco3)CC(=O)N2Cc2ccc(F)cc2)cc1	ZINC000017885493	HJ	Annotated	Anodyne	 
CCCCCN1CC=C[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1	ZINC000017950109	HJ	Annotated	Anodyne	 
O=C(Cn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21)Nc1ccccc1	ZINC000017953268	HJ	Annotated	Clean	
COc1ccc([C@H]2C=CCN(CC(C)(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1	ZINC000017991404	HJ	Annotated	Anodyne	 
COC1=C/C(=C/N/N=C(/Nc2ccc(C)cc2)c2nc3ccccc3s2)C=CC1=O	ZINC000017995580	HJ	Annotated	Mild	 
COc1ccc([C@@H]2C=CCN(Cc3ccco3)CC(=O)N2Cc2ccc(F)cc2)cc1	ZINC000018043556	HJ	Annotated	Anodyne	 
COc1ccc([C@@H]2C=CCN(CC(C)(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1	ZINC000018044532	HJ	Annotated	Anodyne	 
CN(C)c1ccc(/N=N\c2ccccc2C(=O)OCC(=O)N2CCCCCC2)cc1	ZINC000018059119	HJ	Annotated	Clean	 
Cc1nnc(S[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)nc1O	ZINC000018062183	HJ	Annotated	Anodyne	 
COc1ccc([C@@H]2C=CCN(CC(C)C)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1	ZINC000018069130	HJ	Annotated	Anodyne	
Cc1nnc(S[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)nc1O	ZINC000018084846	HJ	Annotated	Anodyne	 
CN(C)c1ccc(/N=N\c2ccccc2C(=O)OCC(=O)N(C)c2ccccc2)cc1	ZINC000018085331	HJ	Annotated	Clean	 
CC(C)C(=O)N1c2ccccc2N=C2CCCC(=O)[C@H]2[C@H]1c1ccc(N(C)C)cc1	ZINC000018100885	HJ	Annotated	Clean	
CC(C)C(=O)N1c2ccccc2N=C2CCCC(=O)[C@@H]2[C@H]1c1ccc(N(C)C)cc1	ZINC000018100888	HJ	Annotated	Clean	
CC(C)C(=O)N1c2ccccc2N=C2CCCC(=O)[C@H]2[C@@H]1c1ccc(N(C)C)cc1	ZINC000018178817	HJ	Annotated	Clean	
CC(C)C(=O)N1c2ccccc2N=C2CCCC(=O)[C@@H]2[C@@H]1c1ccc(N(C)C)cc1	ZINC000018178820	HJ	Annotated	Clean	
O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2ccccc2)n[nH]1	ZINC000018207625	HJ	Annotated	Clean	
Cc1cccc(C)c1OCC(=O)/N=N\c1c(O)[nH]c2ccc(Br)cc12	ZINC000018227460	HJ	Annotated	Clean	
N[C@H](NC1CCC1)c1ccc(-c2ccc(-c3ccc([C@H](N)NC4CCC4)cc3)o2)cc1	ZINC000019321362	HJ	Annotated	Anodyne	
N[C@@H](NC1CCC1)c1ccc(-c2ccc(-c3ccc([C@H](N)NC4CCC4)cc3)o2)cc1	ZINC000019321365	HJ	Annotated	Anodyne	
N[C@@H](NC1CCC1)c1ccc(-c2ccc(-c3ccc([C@@H](N)NC4CCC4)cc3)o2)cc1	ZINC000019321368	HJ	Annotated	Anodyne	
CC(C)[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cccs1	ZINC000019446057	HJ	Annotated	Anodyne	 
CC(C)[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cccs1	ZINC000019446059	HJ	Annotated	Anodyne	 
CC(C)CC[C@@H](O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000194937182	HJ	Annotated	Mild	
CC(C)CC[C@H](O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000194937200	HJ	Annotated	Mild	
CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)C#CC(C)(C)C)[C@]13C(=O)O	ZINC000194952211	HJ	Annotated	Mild	
CC(C)CCC(=O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000194955039	HJ	Annotated	Mild	
O=C1CCCC[C@@H]2[C@H](CCN2Cc2ccnc3ccccc23)N1Cc1ccccc1F	ZINC000019713095	HJ	Annotated	Anodyne	 
CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccs1	ZINC000019727533	HJ	Annotated	Mild	
CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccs1	ZINC000019727535	HJ	Annotated	Mild	
CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cccs1	ZINC000019727537	HJ	Annotated	Mild	
CC1(C)C(=O)C=C[C@@]2(C)C1=C(O)C(=O)[C@]1(C)[C@H]2CC[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]321	ZINC000019795887	HJ	Annotated	Anodyne	in-vitro
CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1	ZINC000019889906	HJ	Annotated	Anodyne	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@@H]1CO/C=C/C(=O)OCc1ccccc1	ZINC000195004579	HJ	Annotated	Reactive	
CC[C@@H](C)CO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000195056152	HJ	Annotated	Mild	
O=S(=O)(N[C@@H]1[C@H]2CC[C@H]1Cc1cc(Cl)ccc1C2)c1ccc(Cl)s1	ZINC000195090197	HJ	Annotated	Anodyne	
COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(C#N)cc2)cc1)C3	ZINC000195104972	HJ	Annotated	Mild	
COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(C#N)cc2)cc1)C3	ZINC000195104986	HJ	Annotated	Mild	
COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(C#N)cc2)cc1)C3	ZINC000195104995	HJ	Annotated	Mild	
CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@H]4O[C@@H](C/C(C)=C/CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31	ZINC000195151896	HJ	Annotated	Anodyne	
CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@H]4O[C@@H](C/C(C)=C\CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31	ZINC000195151908	HJ	Annotated	Anodyne	
CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@H]4O[C@@H](C/C(C)=C/CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31	ZINC000195151916	HJ	Annotated	Anodyne	
CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@H]4O[C@@H](C/C(C)=C\CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31	ZINC000195151929	HJ	Annotated	Anodyne	
Cc1cccc(C)c1B(c1c(C)cccc1C)N(CC(F)(F)F)c1ccc(O)cc1	ZINC000195204490	HJ	Annotated	Unstable	
CC(=O)O[C@@H]1/C(C(C)C)=C\C=C(/C)CC/C=C(\C)[C@@H](O)C/C=C(\C)[C@H]1OC(C)=O	ZINC000195231776	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1/C(C(C)C)=C\C=C(\C)CC/C=C(\C)[C@@H](O)C/C=C(\C)[C@H]1OC(C)=O	ZINC000195231785	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1/C(C(C)C)=C\C=C(/C)C[C@@H](O)/C=C(\C)CC/C=C(\C)[C@H]1OC(C)=O	ZINC000195233299	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1/C(C(C)C)=C\C=C(\C)C[C@@H](O)/C=C(\C)CC/C=C(\C)[C@H]1OC(C)=O	ZINC000195233311	HJ	Annotated	Anodyne	
CCCCC#CC(=O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000195291743	HJ	Annotated	Mild	
C[C@@H]1CC[C@@H]2CC(=O)O[C@@H]3O[C@@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@]32OO4	ZINC000195292174	HJ	Annotated	Reactive	
C[C@@H]1CC[C@@H]2CC(=O)O[C@H]3O[C@@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@@]23OO4	ZINC000195292188	HJ	Annotated	Reactive	
C[C@@H]1CC[C@H]2CC(=O)O[C@H]3O[C@@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@@]23OO4	ZINC000195292200	HJ	Annotated	Reactive	
O=C1C[C@H](c2ccc(C(F)(F)F)cc2)C[C@@H]2[C@H]1C(=O)c1cc(Cl)ccc1N2O	ZINC000195333870	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H]2[C@H]1C(=O)c1cc(Cl)ccc1N2O	ZINC000195333876	HJ	Annotated	Anodyne	
C=C(C)[C@H]1CC/C(C)=C\C/C=C(\C)[C@@H](O)CC/C(COC(C)=O)=C/[C@@H]1OC(C)=O	ZINC000195335696	HJ	Annotated	Mild	
C=C(C)[C@H]1CC/C(C)=C/C/C=C(\C)[C@@H](O)CC/C(COC(C)=O)=C/[C@@H]1OC(C)=O	ZINC000195335706	HJ	Annotated	Mild	
CO[C@H]1CC[C@H]2[C@@H]3O[C@H](C=C3/C=C/[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[C@@H]2O1	ZINC000195367378	HJ	Annotated	Mild	
CO[C@@H]1CC[C@@H]2[C@@H]3O[C@H](C=C3/C=C/[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[C@@H]2O1	ZINC000195367387	HJ	Annotated	Mild	
CC(C)CO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000195394340	HJ	Annotated	Mild	
CO[C@@H]1CC[C@@H]2[C@H]3C=C(/C=C/[C@H]4C(C)=CC(=O)[C@H]5C(C)(C)CCC[C@@]54C)[C@@H](O3)[C@@H]2O1	ZINC000195406614	HJ	Annotated	Mild	
CO[C@H]1CC[C@@H]2[C@H]3C=C(/C=C/[C@H]4C(C)=CC(=O)[C@H]5C(C)(C)CCC[C@@]54C)[C@@H](O3)[C@@H]2O1	ZINC000195406622	HJ	Annotated	Mild	
CO[C@@H]1CC[C@H]2[C@H]3C=C(/C=C/[C@H]4C(C)=CC(=O)[C@H]5C(C)(C)CCC[C@@]54C)[C@@H](O3)[C@@H]2O1	ZINC000195406628	HJ	Annotated	Mild	
C=C(C)[C@H]1CC/C(C)=C\C/C=C(\C)[C@H](O)CC/C(COC(C)=O)=C/[C@@H]1OC(C)=O	ZINC000195407531	HJ	Annotated	Mild	
C=C(C)[C@H]1CC/C(C)=C/C/C=C(\C)[C@H](O)CC/C(COC(C)=O)=C/[C@@H]1OC(C)=O	ZINC000195407537	HJ	Annotated	Mild	
COc1cc2c(cc1OC)[C@]1(c3ccccc3)CCCC[C@H]1[C@H]2NC(=O)C(F)(F)F	ZINC000195421597	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@]1(c3ccccc3)CCCC[C@@H]1[C@H]2NC(=O)C(F)(F)F	ZINC000195421602	HJ	Annotated	Anodyne	
C=C(C)[C@@H]1C[C@]2(C)[C@H](C)C[C@H](OC(=O)/C(C)=C\C)C[C@H]2[C@H](OC(=O)/C(C)=C\C)[C@@H]1O	ZINC000195425921	HJ	Annotated	Mild	
C=C(C)[C@@H]1C[C@]2(C)[C@@H](C)C[C@@H](OC(=O)/C(C)=C\C)C[C@H]2[C@H](OC(=O)/C(C)=C\C)[C@@H]1O	ZINC000195425925	HJ	Annotated	Mild	
C=C(C)[C@@H]1C[C@]2(C)[C@@H](C)C[C@H](OC(=O)/C(C)=C\C)C[C@H]2[C@H](OC(=O)/C(C)=C\C)[C@@H]1O	ZINC000195425933	HJ	Annotated	Mild	
C[C@H](CO)C1=C[C@@H](C#C[Si](C)(C)C)N(C(=O)Oc2ccccc2)c2ccccc21	ZINC000195453006	HJ	Annotated	Mild	
C[C@H](CO)C1=C[C@H](C#C[Si](C)(C)C)N(C(=O)Oc2ccccc2)c2ccccc21	ZINC000195453012	HJ	Annotated	Mild	
COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4[C@H](C)CCC[C@H]4[C@H]3C2=O)cc1	ZINC000195478182	HJ	Annotated	Anodyne	
COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@@H]4[C@H](CCC[C@H]4C)[C@H]3C2=O)cc1	ZINC000195478187	HJ	Annotated	Anodyne	
C[C@@H](CO)C1=C[C@@H](C#C[Si](C)(C)C)N(C(=O)Oc2ccccc2)c2ccccc21	ZINC000195484398	HJ	Annotated	Mild	
C[C@@H](CO)C1=C[C@H](C#C[Si](C)(C)C)N(C(=O)Oc2ccccc2)c2ccccc21	ZINC000195484402	HJ	Annotated	Mild	
COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CCCC[C@@H]4[C@H]3C2=O)cc1	ZINC000195500990	HJ	Annotated	Anodyne	
COCCCN1C(=O)[C@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@H]2C1=O	ZINC000195503214	HJ	Annotated	Anodyne	
COCCCN1C(=O)[C@@H]2[C@@H](C1=O)c1[nH]c3ccccc3c1[C@H]1CC[C@H](C(C)(C)C)C[C@H]12	ZINC000195503216	HJ	Annotated	Anodyne	
COCCCN1C(=O)[C@H]2[C@H]3C[C@@H](C(C)(C)C)CC[C@@H]3c3c([nH]c4ccccc34)[C@@H]2C1=O	ZINC000195503219	HJ	Annotated	Anodyne	
Clc1ccc(CO/N=C2\c3ccc(Cl)cc3OC[C@@H]2n2cncn2)c(Cl)c1	ZINC000195763959	HJ	Annotated	Mild	 
Clc1ccc(CO/N=C2\c3ccc(Cl)cc3OC[C@H]2n2cncn2)c(Cl)c1	ZINC000195763960	HJ	Annotated	Mild	 
C=CC1=C(C)[C@H]2C[C@@H](O)[C@H]3[C@](C)(C(=O)O)[C@H](OC(=O)CC(C)C)CC[C@]3(C)[C@H]2CC1	ZINC000196034990	HJ	Annotated	Anodyne	
C=CC1=C(C)[C@@H]2C[C@@H](O)[C@H]3[C@](C)(C(=O)O)[C@H](OC(=O)CC(C)C)CC[C@]3(C)[C@H]2CC1	ZINC000196035003	HJ	Annotated	Anodyne	
Cc1c(-c2ccc(C3=NCCCN3)cc2)oc(-c2ccc(C3=NCCCN3)cc2)c1C	ZINC000196125409	HJ	Annotated	Anodyne	 
Cc1c(-c2ccc(C3=NC[C@H](C)N3)cc2)oc(-c2ccc(C3=NC[C@H](C)N3)cc2)c1C	ZINC000196125420	HJ	Annotated	Anodyne	 
Cc1c(-c2ccc(C3=NC[C@H](C)N3)cc2)oc(-c2ccc(C3=NC[C@@H](C)N3)cc2)c1C	ZINC000196125427	HJ	Annotated	Anodyne	 
Cc1c(-c2ccc(C3=NC[C@@H](C)N3)cc2)oc(-c2ccc(C3=NC[C@@H](C)N3)cc2)c1C	ZINC000196125438	HJ	Annotated	Anodyne	 
c1cc(-c2ccc(-c3ccc(C4=NCCCN4)cc3)s2)ccc1C1=NCCCN1	ZINC000196190938	HJ	Annotated	Anodyne	 
C[C@H]1CN=C(c2ccc(-c3ccc(-c4ccc(C5=NC[C@@H](C)N5)cc4)s3)cc2)N1	ZINC000196190949	HJ	Annotated	Anodyne	 
C[C@H]1CN=C(c2ccc(-c3ccc(-c4ccc(C5=NC[C@H](C)N5)cc4)s3)cc2)N1	ZINC000196190954	HJ	Annotated	Anodyne	 
C[C@@H]1CN=C(c2ccc(-c3ccc(-c4ccc(C5=NC[C@@H](C)N5)cc4)s3)cc2)N1	ZINC000196190959	HJ	Annotated	Anodyne	 
CCCc1cc(NC(=O)OC(C)(C)C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1	ZINC000196222612	HJ	Annotated	Mild	 
CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O	ZINC000196464106	HJ	Annotated	Anodyne	
CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)[C@@]13CCCC(C)(C)[C@H]1C[C@@H]2OC3=O	ZINC000196464126	HJ	Annotated	Anodyne	
[C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@@](C)([N+]#[C-])CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)N=C=S)O1	ZINC000197281389	HJ	Annotated	Reactive	
[C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@@](C)(N=C=S)CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)[N+]#[C-])O1	ZINC000197281402	HJ	Annotated	Reactive	
CC(C)=CC(=O)OC[C@@]1(C)CCC[C@]2(C)C3=C(O)C(=O)C(C(C)C)=CC3=CC(=O)[C@@H]12	ZINC000197417339	HJ	Annotated	Mild	
CC(C)CC(=O)OC[C@@]1(C)CCC[C@]2(C)C3=C(O)C(=O)C(C(C)C)=CC3=CC(=O)[C@@H]12	ZINC000197417355	HJ	Annotated	Mild	
CC(C)CC(=O)OC[C@@]1(C)CCC[C@]2(C)C3=C(O)C(=O)C(C(C)C)=CC3=C[C@H](O)[C@@H]12	ZINC000197417411	HJ	Annotated	Mild	
C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)[C@@H]3[C@@H]([C@H]2C(=O)C[C@H]3C)C(C)(C)[C@@H]1OC(=O)/C(C)=C\C	ZINC000197431133	HJ	Annotated	Anodyne	
C=C[C@@](C)(O)[C@@H](C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)OC(C)=O)OC(C)=O	ZINC000197455218	HJ	Annotated	Mild	
C=C1C[C@H](OC(C)=O)[C@H]([C@@H](C)CCC=C(C)C)[C@@H]2C(C=O)=CC[C@H]1[C@@H]2OC(C)=O	ZINC000197683577	HJ	Annotated	Reactive	
O=NC=C1C=CN(COCc2cccc(COCN3C=CC(=CN=O)C=C3)c2)C=C1	ZINC000197785342	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@H]2[C@H](C)c3ccc4c(c3CN2C1)C[C@H]1[C@H]4C[C@@H](O)[C@H]2C[C@@H](O)CC[C@@]21C	ZINC000197879113	HJ	Annotated	Anodyne	
CO[C@H](/C=C/[C@H]1CCC(=O)O1)CCCCCC=C(Br)Br	ZINC000198354572	HJ	Annotated	Anodyne	
CO[C@@H](/C=C/[C@H]1CCC(=O)O1)CCCCCC=C(Br)Br	ZINC000198355070	HJ	Annotated	Anodyne	
CO[C@H](/C=C/[C@@H]1CCC(=O)O1)CCCCCC=C(Br)Br	ZINC000198355080	HJ	Annotated	Anodyne	
CO[C@@H](/C=C/CCCCCC=C(Br)Br)[C@H]1CCC(=O)O1	ZINC000198355151	HJ	Annotated	Anodyne	
CO[C@H](/C=C/CCCCCC=C(Br)Br)[C@@H]1CCC(=O)O1	ZINC000198355159	HJ	Annotated	Anodyne	
CO[C@@H](/C=C/[C@@H]1CCC(=O)O1)CCCCCC=C(Br)Br	ZINC000198355716	HJ	Annotated	Anodyne	
CCCCCCN1C[C@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@H]1c1ccc(Cl)cc1	ZINC000198497494	HJ	Annotated	Anodyne	 
COc1cc([C@@H](c2cc(OC)c3c(c2)OCO3)[C@H](C)C(C)C)cc(OC)c1OC	ZINC000198700156	HJ	Annotated	Anodyne	
COC1CCC2(CC1)Cc1ccc(Br)cc1[C@]21N=C(N)c2ccccc21	ZINC000199089651	HJ	Annotated	Anodyne	 
COC1CCC2(CC1)Cc1ccc(Br)cc1[C@@]21N=C(N)c2ccccc21	ZINC000199089665	HJ	Annotated	Anodyne	 
Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(F)cc2)c1C(=O)NCc1ccccc1	ZINC000199225814	HJ	Annotated	Anodyne	 
O=C(OCc1ccccc1)/C(C(=O)c1ccc(Cl)cc1Cl)=C1/C=CC=CN1	ZINC000199400901	HJ	Annotated	Mild	 
O=C(OCc1ccccc1)/C(C(=O)c1c(Cl)cccc1Cl)=C1/C=CC=CN1	ZINC000199401332	HJ	Annotated	Mild	 
Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccn2)c1C(=O)c1c[nH]c2ccc(F)cc12	ZINC000199710349	HJ	Annotated	Anodyne	 
Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccn2)c1C(=O)c1c[nH]c2ccccc12	ZINC000199710460	HJ	Annotated	Anodyne	 
CC(=O)C1=C(C)N(Cc2ccccc2)C(=S)N[C@H]1c1cccc(Br)c1	ZINC000199727755	HJ	Annotated	Mild	 
CC(=O)C1=C(C)N(Cc2ccccc2)C(=S)N[C@@H]1c1cccc(Br)c1	ZINC000199727780	HJ	Annotated	Mild	 
Clc1cc(Cl)cc(CN2Cc3cc(Br)ccc3-n3nncc3C2)c1	ZINC000199735864	HJ	Annotated	Anodyne	 
C[C@@H]1ON(C)[C@H]2C[C@H]3c4[nH]c5c(-c6ccc(Cl)cc6)cccc5c4CCN3C(=O)[C@@H]12	ZINC000199738146	HJ	Annotated	Anodyne	 
C[C@@H]1ON(C)[C@H]2C[C@H]3c4[nH]c5c(-c6cccc(Cl)c6)cccc5c4CCN3C(=O)[C@@H]12	ZINC000199738182	HJ	Annotated	Anodyne	 
CCc1c(COc2ccc(C(=O)CC(C)(C)CC(=O)O)cc2)ccc(C(C)=O)c1O	ZINC000002013013	HJ	Annotated	Anodyne	
O=c1oc2cc(Cl)ccc2c(=O)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000002143912	HJ	Annotated	Anodyne	
C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC(C)(C)OC3	ZINC000002452208	HJ	Annotated	Mild	 
Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)NC3CCCCCC3)sc2n1	ZINC000002452527	HJ	Annotated	Anodyne	
Cc1cc(C)n(-c2nc(N/N=C/C=C/c3ccccc3)nc(Nc3ccccc3)n2)n1	ZINC000002452603	HJ	Annotated	Mild	
CSc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)c1	ZINC000002456053	HJ	Annotated	Anodyne	
CSc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)c1	ZINC000002456055	HJ	Annotated	Anodyne	
CSc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)c1	ZINC000002456057	HJ	Annotated	Anodyne	
CSc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)c1	ZINC000002456059	HJ	Annotated	Anodyne	
O=C1CN(C(=O)C2CCCCC2)[C@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1	ZINC000002456384	HJ	Annotated	Anodyne	 
O=C1CN(C(=O)c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1	ZINC000002456387	HJ	Annotated	Anodyne	 
O=C1CN(C(=O)c2ccc(F)cc2)[C@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1	ZINC000002456389	HJ	Annotated	Anodyne	 
O=C1CN(C(=O)c2cccs2)[C@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1	ZINC000002456394	HJ	Annotated	Anodyne	 
O=C1CN(C(=O)c2cccs2)[C@@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1	ZINC000002456396	HJ	Annotated	Anodyne	 
O=C1CN(C(=O)C2CCCC2)[C@@H](c2ccccc2)c2cc(Br)ccc2N1	ZINC000002456508	HJ	Annotated	Anodyne	 
O=C1CN(C(=O)C2CCCC2)[C@H](c2ccccc2)c2cc(Br)ccc2N1	ZINC000002456510	HJ	Annotated	Anodyne	 
O=C(CCC1CCCCC1)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2	ZINC000002456777	HJ	Annotated	Anodyne	 
C[C@H]1[C@@H]2NC(=O)N(CCc3ccccc3)[C@@]1(C)Oc1ccc(Br)cc12	ZINC000002461907	HJ	Annotated	Anodyne	 
Brc1ccc(-c2nnc3sc(CN4CCc5ccccc54)cn23)cc1	ZINC000002467083	HJ	Annotated	Anodyne	 
CSc1cccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Br)cc23)c1	ZINC000002468532	HJ	Annotated	Anodyne	 
CSc1cccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(Br)cc23)c1	ZINC000002468534	HJ	Annotated	Anodyne	 
CSc1cccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Br)cc23)c1	ZINC000002468535	HJ	Annotated	Anodyne	 
CCCCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12	ZINC000002469335	HJ	Annotated	Anodyne	 
CCCCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12	ZINC000002469337	HJ	Annotated	Anodyne	 
CCCCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12	ZINC000002469339	HJ	Annotated	Anodyne	 
CCCCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12	ZINC000002469340	HJ	Annotated	Anodyne	 
Nc1nc2n(n1)[C@H](c1ccc(OCc3ccccc3)cc1)C[C@@H](c1ccc(F)cc1)N2	ZINC000002472290	HJ	Annotated	Anodyne	 
Nc1nc2n(n1)[C@@H](c1ccc(OCc3ccccc3)cc1)C[C@H](c1ccc(F)cc1)N2	ZINC000002472293	HJ	Annotated	Anodyne	 
Nc1nc2n(n1)[C@H](c1ccc(OCc3ccccc3)cc1)C[C@H](c1ccc(F)cc1)N2	ZINC000002472295	HJ	Annotated	Anodyne	 
Cc1ccc([C@H]2C[C@@H](c3ccc(OCc4ccccc4)cc3)n3nc(N)nc3N2)cc1	ZINC000002472298	HJ	Annotated	Anodyne	 
Cc1ccc([C@@H]2C[C@@H](c3ccc(OCc4ccccc4)cc3)n3nc(N)nc3N2)cc1	ZINC000002472300	HJ	Annotated	Anodyne	 
Cc1ccc([C@H]2C[C@H](c3ccc(OCc4ccccc4)cc3)n3nc(N)nc3N2)cc1	ZINC000002472301	HJ	Annotated	Anodyne	 
O=C(OCc1ccc(-c2ccc(Br)cc2)o1)c1ccc2c(c1)OCCO2	ZINC000002476895	HJ	Annotated	Anodyne	 
O=C(NCCO)c1c(-c2ccc(F)cc2)noc1-c1ccc(-c2ccccc2)cc1	ZINC000002480230	HJ	Annotated	Anodyne	
CCCCNC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1OC	ZINC000002483371	HJ	Annotated	Anodyne	
COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCCN(C)c1ccccc1	ZINC000002483407	HJ	Annotated	Anodyne	
CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCOc1ccccc1	ZINC000002483430	HJ	Annotated	Anodyne	
CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCOc2ccccc2)cc1	ZINC000002483467	HJ	Annotated	Anodyne	
COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21	ZINC000002489322	HJ	Annotated	Anodyne	
COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21	ZINC000002489325	HJ	Annotated	Anodyne	
CCCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2	ZINC000002489455	HJ	Annotated	Anodyne	
CCCCNC(=O)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2	ZINC000002489458	HJ	Annotated	Anodyne	
CCCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2	ZINC000002489459	HJ	Annotated	Anodyne	
CCCCNC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2	ZINC000002489461	HJ	Annotated	Anodyne	
COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCCCC2)ccc1O	ZINC000020028839	HJ	Annotated	Anodyne	 
COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCCCC2)ccc1O	ZINC000020028841	HJ	Annotated	Anodyne	 
O=C1[C@@H](c2ccccc2)[C@@H](c2cccnc2)N[C@@H](c2cccnc2)[C@@H]1c1ccccc1	ZINC000020115612	HJ	Annotated	Anodyne	 
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H]1c2ccccc2O[C@H]2C=CC=C[C@H]21	ZINC000020116670	HJ	Annotated	Anodyne	 
CC1=C(C(=O)Nc2ccccc2)[C@@H](C(C)C)n2ncc(C(=O)Nc3ccccc3)c2N1	ZINC000020134931	HJ	Annotated	Anodyne	 
CC1=C(C(=O)Nc2ccccc2)[C@H](C(C)C)n2ncc(C(=O)Nc3ccccc3)c2N1	ZINC000020134934	HJ	Annotated	Anodyne	 
Fc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccccc3C(F)(F)F)C2)CC1	ZINC000020207299	HJ	Annotated	Anodyne	 
Fc1ccccc1N1CCN([C@H]2CCCN(Cc3ccccc3C(F)(F)F)C2)CC1	ZINC000020207303	HJ	Annotated	Anodyne	 
FC(F)(F)c1ccc(-c2noc(CN3CCCN(C4CCCCC4)CC3)n2)cc1	ZINC000020293936	HJ	Annotated	Anodyne	 
Cc1ccc2cc(CNCc3cccc4ccccc34)c(N3CCC(O)CC3)nc2c1	ZINC000020327036	HJ	Annotated	Anodyne	 
CCOC(=O)N1CCN(C(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)CC1	ZINC000020436373	HJ	Annotated	Anodyne	 
COc1cccc(CN2CCC[C@@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)c1OC	ZINC000020449889	HJ	Annotated	Anodyne	 
COc1cccc(CN2CCC[C@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)c1OC	ZINC000020449891	HJ	Annotated	Anodyne	 
Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN(Cc2nccn2C)C(C)C)o1	ZINC000020454504	HJ	Annotated	Anodyne	 
COc1ccccc1[C@@H]1CN(Cc2coc3ccccc3c2=O)Cc2ccccc2O1	ZINC000020455874	HJ	Annotated	Anodyne	 
COc1ccccc1[C@H]1CN(Cc2coc3ccccc3c2=O)Cc2ccccc2O1	ZINC000020455876	HJ	Annotated	Anodyne	 
C=C1CC[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@](C)(O)[C@@H](OC)CC[C@@](C)(OC(=O)CCC)[C@@H]2O1	ZINC000200063226	HJ	Annotated	Mild	
O[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccc2occc2c1	ZINC000200102035	HJ	Annotated	Anodyne	 
C/C(=C\Cc1cc(C(=O)O)ccc1O)CC/C=C(\C)CC[C@H](O)[C@@]1(C)CCC(=O)O1	ZINC000200120073	HJ	Annotated	Anodyne	
COc1ccc2c(c1)CN1c3ccc(OC)cc3CN2C1N(C)c1ccc(C)cc1	ZINC000200622038	HJ	Annotated	Clean	 
O=C1[C@@H](CCc2ccccc2)[C@@H]2c3ccccc3C=NN2[C@@H]2c3ccccc3C=NN12	ZINC000201479795	HJ	Annotated	Anodyne	 
CCCCCCCCCC[C@H]1C(=O)O[C@@H]1CCCCS(=O)(=O)CCCN(C)C	ZINC000201549201	HJ	Annotated	Mild	 
N#Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(C4CCCCC4)CC3)n2)cc1	ZINC000201791348	HJ	Annotated	Mild	 
C=CC[C@@H]1NN2C(=O)[C@@H](CCCC)[C@@H]3c4ccccc4C=NN3[C@@H]2c2ccccc21	ZINC000203465151	HJ	Annotated	Mild	 
N#Cc1ccc(NC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2[C@H]3Cc2ccccc2)cc1	ZINC000203467996	HJ	Annotated	Mild	 
C=CCOC/C=C/C#CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccccc1	ZINC000203471170	HJ	Annotated	Mild	 
C=C(C)C#C[C@@H](Cc1ccccc1)N(CC1CC1)/C(N)=N/C(=O)OCc1ccccc1	ZINC000203471464	HJ	Annotated	Mild	 
C=C(C)C#C[C@H](Cc1ccccc1)N(CC1CC1)/C(N)=N/C(=O)OCc1ccccc1	ZINC000203471468	HJ	Annotated	Mild	 
COc1ccc([C@@H]2C[C@]23CC[C@]2(C[C@@H]2c2ccc(OC)c(OC)c2)C3=O)cc1OC	ZINC000203693685	HJ	Annotated	Anodyne	 
Cn1cc(-c2ccc(=O)n(C)c2)c(COc2ccc(-c3ccc4ccccc4n3)cc2)n1	ZINC000203745766	HJ	Annotated	Anodyne	in-vitro
COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C=C(O)C(C)(C)O4	ZINC000204655056	HJ	Annotated	Bother	
O=C(O)c1cnc2c(SSc3cccc4cc(C(=O)O)cnc34)cccc2c1	ZINC000204765142	HJ	Annotated	Reactive	 
Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1	ZINC000204910522	HJ	Annotated	Anodyne	 
COC1CCC2(CC1)Cc1ccc(OCC3CC3)cc1[C@]21N=C(N)c2ccccc21	ZINC000204984358	HJ	Annotated	Anodyne	 
COC1CCC2(CC1)Cc1ccc(OCC3CC3)cc1[C@@]21N=C(N)c2ccccc21	ZINC000204984379	HJ	Annotated	Anodyne	 
CN1C(=O)c2ccccc2[C@H](C(=O)N2CC[C@@H](c3ccccc3)C2)[C@@H]1c1cccs1	ZINC000020507912	HJ	Annotated	Anodyne	 
CN1C(=O)c2ccccc2[C@H](C(=O)N2CC[C@@H](c3ccccc3)C2)[C@H]1c1cccs1	ZINC000020507914	HJ	Annotated	Anodyne	 
O=S(=O)(NCCC1=CCCCC1)c1ccc(-c2cc(C(F)(F)F)no2)s1	ZINC000020580800	HJ	Annotated	Anodyne	 
O=S(=O)(NCc1ccccc1Cl)c1ccc(-c2cc(C(F)(F)F)no2)s1	ZINC000020580817	HJ	Annotated	Anodyne	 
C[C@@H](CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1)c1ccccc1	ZINC000020580980	HJ	Annotated	Anodyne	 
C[C@H](CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1)c1ccccc1	ZINC000020580983	HJ	Annotated	Anodyne	 
COc1ccc(OC)c(CN2CCC[C@@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)c1	ZINC000020779528	HJ	Annotated	Anodyne	 
COc1ccc(OC)c(CN2CCC[C@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)c1	ZINC000020779532	HJ	Annotated	Anodyne	 
CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1Nc1ccc(Cc2ccncc2)cc1	ZINC000020900842	HJ	Annotated	Anodyne	 
N#Cc1ccccc1CSc1nnc2c3ccccc3n(C(=O)C3CCCC3)c2n1	ZINC000205096540	HJ	Annotated	Mild	 
N#Cc1ccccc1CSc1nnc2c3ccccc3n(C(=O)c3ccccc3)c2n1	ZINC000205098001	HJ	Annotated	Mild	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccccc3)nc2)n1	ZINC000205141546	HJ	Annotated	Anodyne	 
Cc1cc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)ccc1OCC(C)C	ZINC000205150338	HJ	Annotated	Anodyne	 
CC(C)COc1ccc([C@H](C)Nc2ncc(F)c(N3C(=O)OC[C@@H]3C(C)C)n2)cc1	ZINC000205150382	HJ	Annotated	Anodyne	 
Cc1ccccc1C1=NO[C@H]2CN(C(=O)NC(c3ccccc3)c3ccccc3)C[C@H]12	ZINC000205206920	HJ	Annotated	Anodyne	 
Cc1ccccc1C1=NO[C@@H]2CN(C(=O)NC(c3ccccc3)c3ccccc3)C[C@H]12	ZINC000205206940	HJ	Annotated	Anodyne	 
Cc1ccccc1C1=NO[C@H]2CN(C(=O)NC(c3ccccc3)c3ccccc3)C[C@@H]12	ZINC000205206954	HJ	Annotated	Anodyne	 
Cc1ccccc1C1=NO[C@@H]2CN(C(=O)NC(c3ccccc3)c3ccccc3)C[C@@H]12	ZINC000205206970	HJ	Annotated	Anodyne	 
CCOCCOc1cccc2[nH]c([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)c3cc(C)oc3C)nc12	ZINC000205210071	HJ	Annotated	Anodyne	 
CC(=O)Nc1cccc(-c2ccc3c(c2)N(Cc2cc(F)cc(F)c2)C(=O)COC3)c1	ZINC000205210249	HJ	Annotated	Anodyne	 
COCc1cccc(-c2ccc3c(c2)COCC(=O)N3Cc2cc(F)cc(F)c2)c1	ZINC000205210286	HJ	Annotated	Anodyne	 
COCc1cccc(-c2ccc3c(c2)N(Cc2cccc(OC)c2)C(=O)COC3)c1	ZINC000205210304	HJ	Annotated	Anodyne	 
O=C1COCc2ccc(Br)cc2N1Cc1ccc(C(F)(F)F)cc1	ZINC000205211956	HJ	Annotated	Anodyne	 
COc1cc(OC)cc(-c2cc3c(Nc4ccc5c(c4)OCCO5)nccc3n2C)c1	ZINC000205214315	HJ	Annotated	Anodyne	 
O=C(c1ccc(Cl)cc1Cl)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1	ZINC000205223073	HJ	Annotated	Anodyne	 
O=C(c1ccc(Cl)cc1Cl)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1	ZINC000205223088	HJ	Annotated	Anodyne	 
O=C(c1ccc(Cl)cc1Cl)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1	ZINC000205223103	HJ	Annotated	Anodyne	 
O=C(c1ccc(Cl)cc1Cl)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1	ZINC000205223127	HJ	Annotated	Anodyne	 
CC1=C[C@@H](C/C(C)=C/CC[C@@]2(C)Oc3c(c(=O)oc4cc(O)ccc34)[C@@H]2C)OC1=O	ZINC000205225729	HJ	Annotated	Anodyne	
COc1cc(F)ccc1-c1ccc2c(c1)COCC(=O)N2Cc1cc(F)cc(F)c1	ZINC000205226407	HJ	Annotated	Anodyne	 
COCc1cccc(-c2ccc3c(c2)COCC(=O)N3Cc2cccc(OC)c2)c1	ZINC000205226461	HJ	Annotated	Anodyne	 
COc1ccc(-c2cnn(C(C)(C)C(=O)Nc3ccccc3SC)c2)cc1OC	ZINC000205226633	HJ	Annotated	Anodyne	 
COc1cc(F)ccc1-c1ccc2c(c1)N(Cc1cc(F)cc(F)c1)C(=O)COC2	ZINC000205226753	HJ	Annotated	Anodyne	 
Cc1ccccc1-c1cnn(C(C)(C)C(=O)NCc2ccccc2Br)c1	ZINC000205228238	HJ	Annotated	Anodyne	 
CN(C)c1ccc([C@H](O)c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)cs2)cc1	ZINC000205228702	HJ	Annotated	Anodyne	 
CN(C)c1ccc([C@@H](O)c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)cs2)cc1	ZINC000205228717	HJ	Annotated	Anodyne	 
O=C(c1ccc(Cl)c(Cl)c1)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1	ZINC000205229146	HJ	Annotated	Anodyne	 
O=C(c1ccc(Cl)c(Cl)c1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1	ZINC000205229157	HJ	Annotated	Anodyne	 
O=C(c1ccc(Cl)c(Cl)c1)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1	ZINC000205229172	HJ	Annotated	Anodyne	 
O=C(c1ccc(Cl)c(Cl)c1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1	ZINC000205229188	HJ	Annotated	Anodyne	 
CC1=C[C@@H](/C=C(\C)CCCC2=CCOC2=O)[C@]2(OC(=O)C(C)=C2O)[C@@H]2[C@@H](C)CC[C@@H]12	ZINC000205229409	HJ	Annotated	Anodyne	
CC(=O)Nc1cccc(-c2ccc3c(c2)COCC(=O)N3Cc2cc(F)cc(F)c2)c1	ZINC000205230270	HJ	Annotated	Anodyne	 
CCN(Cc1ccc(Cl)cc1)C(=O)[C@]1(C)CCN1C(=O)Cc1cc(C)cc(C)c1	ZINC000205410789	HJ	Annotated	Anodyne	 
CCN(Cc1ccc(Cl)cc1)C(=O)[C@@]1(C)CCN1C(=O)Cc1cc(C)cc(C)c1	ZINC000205410800	HJ	Annotated	Anodyne	 
C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(C#N)cc3)c2cn1)c1ccc(F)cc1	ZINC000205430582	HJ	Annotated	Mild	 
C=C(C)[C@H](O)CC[C@]1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@@H](c2ccc(O)cc2)O3)O1	ZINC000205489738	HJ	Annotated	Mild	
O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1	ZINC000205708023	HJ	Annotated	Anodyne	 
O=C(Nc1ccc(Br)cc1)O[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1	ZINC000205708057	HJ	Annotated	Anodyne	 
C[C@@H]1[C@@H]2CCCC(=O)N3CCC[C@@]23CC[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1	ZINC000205709238	HJ	Annotated	Anodyne	 
CCC[C@H]1[C@@H](OC(=O)NCCc2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13	ZINC000205710625	HJ	Annotated	Anodyne	 
O=C(NCc1ccc(C(F)(F)F)cc1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1	ZINC000205711002	HJ	Annotated	Anodyne	 
C[C@H]1[C@@H](OC(=O)NCc2ccccc2Cl)CC[C@@]23CCCN2C(=O)CCC[C@@H]13	ZINC000205711541	HJ	Annotated	Anodyne	 
C[C@H]1[C@@H](OC(=O)NCc2cccc(Cl)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13	ZINC000205711582	HJ	Annotated	Anodyne	 
C[C@H]1[C@@H](OC(=O)NCc2ccc(Cl)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13	ZINC000205711601	HJ	Annotated	Anodyne	 
CCC[C@H]1[C@@H](NC(=O)c2ccc(Cl)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13	ZINC000205712098	HJ	Annotated	Anodyne	 
CCC[C@H]1[C@@H](NC(=O)c2cccc(Cl)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13	ZINC000205712201	HJ	Annotated	Anodyne	 
CCC[C@H]1[C@@H](OC(=O)NCc2cccs2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13	ZINC000205713161	HJ	Annotated	Anodyne	 
CCC[C@H]1[C@@H](OC(=O)NCc2ccc(C)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13	ZINC000205713185	HJ	Annotated	Anodyne	 
CCC[C@H]1[C@@H](OC(=O)NCc2ccc(C)o2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13	ZINC000205713265	HJ	Annotated	Anodyne	 
CCCCNC(=O)[C@]1(C)CCCCN1C(=O)C1(c2ccc(Cl)cc2)CCCC1	ZINC000206016191	HJ	Annotated	Anodyne	 
CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)C1(c2ccc(Cl)cc2)CCCC1	ZINC000206016208	HJ	Annotated	Anodyne	 
O=C1COCc2cc(Br)ccc2N1Cc1ccc(C(F)(F)F)cc1	ZINC000206016586	HJ	Annotated	Anodyne	 
Cc1cc(=O)oc2cc(CN3C(=O)[C@H](n4c(C)ccc4C)c4cccc(F)c43)ccc12	ZINC000206030785	HJ	Annotated	Anodyne	 
Cc1cc(=O)oc2cc(CN3C(=O)[C@@H](n4c(C)ccc4C)c4cccc(F)c43)ccc12	ZINC000206030801	HJ	Annotated	Anodyne	 
CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(C(C)C)cc2)c2ccccc21	ZINC000206032717	HJ	Annotated	Anodyne	 
CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc(C(C)C)cc2)c2ccccc21	ZINC000206032736	HJ	Annotated	Anodyne	 
COC(=O)[C@@H]1[C@H]2[C@@H]3[C@H](c4ccccc4)Nc4ccccc4[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12	ZINC000206035612	HJ	Annotated	Anodyne	 
COC(=O)[C@H]1[C@H]2[C@@H]3[C@H](c4ccccc4)Nc4ccccc4[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12	ZINC000206035630	HJ	Annotated	Anodyne	 
CCCCNC(=O)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1	ZINC000206039384	HJ	Annotated	Anodyne	 
O=C(N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1)c1ccccc1	ZINC000206039602	HJ	Annotated	Anodyne	 
O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@@H](NCc3ccccc3)CC[C@]23CCCN13	ZINC000206040993	HJ	Annotated	Anodyne	 
O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@H](NCc3ccccc3)CC[C@]23CCCN13	ZINC000206041334	HJ	Annotated	Anodyne	 
CCC[C@H]1[C@@H](NC(=O)Nc2ccc(OC)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13	ZINC000206044970	HJ	Annotated	Anodyne	 
COC(=O)[C@](O)(c1ccccc1)[C@@H](Nc1ccc(OC)cc1)c1ccc(Cl)cc1	ZINC000206048322	HJ	Annotated	Anodyne	 
COC(=O)[C@](O)(c1ccccc1)[C@H](Nc1ccc(OC)cc1)c1ccc(Cl)cc1	ZINC000206048346	HJ	Annotated	Anodyne	 
COC(=O)[C@@](O)(c1ccccc1)[C@@H](Nc1ccc(OC)cc1)c1ccc(Cl)cc1	ZINC000206048366	HJ	Annotated	Anodyne	 
COC(=O)[C@@](O)(c1ccccc1)[C@H](Nc1ccc(OC)cc1)c1ccc(Cl)cc1	ZINC000206048380	HJ	Annotated	Anodyne	 
CC(=O)c1ccccc1N[C@H](C(=O)Nc1ccc2c(c1)OCCO2)c1cccs1	ZINC000206049368	HJ	Annotated	Anodyne	 
CC(=O)c1ccccc1N[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1cccs1	ZINC000206049391	HJ	Annotated	Anodyne	 
O=S(=O)(Nc1nccs1)c1ccc2c(-c3ccccc3Cl)nccc2c1	ZINC000206101654	HJ	Annotated	Anodyne	 
O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(F)cc3Cl)cccc2c1	ZINC000206116632	HJ	Annotated	Anodyne	 
O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccccc3Cl)cccc2c1	ZINC000206116752	HJ	Annotated	Anodyne	 
Cc1cc(Cl)ccc1-c1nccc2cc(S(=O)(=O)Nc3ncns3)ccc12	ZINC000206149325	HJ	Annotated	Anodyne	 
CC[C@H](C)N(C(=O)CSc1nnc2scc(-c3ccccc3)n12)[C@H](C)CC	ZINC000206491807	HJ	Annotated	Anodyne	 
CC[C@H](C)N(C(=O)CSc1nnc2scc(-c3ccccc3)n12)[C@@H](C)CC	ZINC000206491846	HJ	Annotated	Anodyne	 
CC[C@@H](C)N(C(=O)CSc1nnc2scc(-c3ccccc3)n12)[C@H](C)CC	ZINC000206491883	HJ	Annotated	Anodyne	 
Cc1ccc(S(=O)(=O)Nc2nccn3c(-c4ccc5ccccc5c4)cnc23)cc1	ZINC000206593829	HJ	Annotated	Anodyne	 
CC[C@@H](C)CNC(=O)c1cncc(-c2cccc(CNC3Cc4ccccc4C3)c2)c1	ZINC000206766430	HJ	Annotated	Anodyne	 
CCN(CC)CCCNC(=O)/C(=C/C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)OC	ZINC000206841245	HJ	Annotated	Anodyne	 
CN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccc(C#N)cc1	ZINC000207180447	HJ	Annotated	Mild	 
CC(C)=CC(=O)/C=C(/C)CCC[C@]1(C)OC(=O)[C@@H](C(=O)c2ccc(O)cc2O)[C@@H]1C	ZINC000207713889	HJ	Annotated	Mild	
CC[C@@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(C)=O)=C3C2=CO1	ZINC000208540299	HJ	Annotated	Mild	
COc1ccc(-c2csc(-c3cc4c([nH]c3=O)C[C@H](c3ccco3)CC4=O)n2)cc1	ZINC000021365647	HJ	Annotated	Anodyne	 
COc1ccc(-c2csc(-c3cc4c([nH]c3=O)C[C@@H](c3ccco3)CC4=O)n2)cc1	ZINC000021365652	HJ	Annotated	Anodyne	 
Cc1ccc(-c2csc(-c3cc4c([nH]c3=O)C[C@H](c3ccco3)CC4=O)n2)cc1	ZINC000021365657	HJ	Annotated	Anodyne	 
Cc1ccc(-c2csc(-c3cc4c([nH]c3=O)C[C@@H](c3ccco3)CC4=O)n2)cc1	ZINC000021365664	HJ	Annotated	Anodyne	 
COc1ccc(C(=O)N2CC[C@@H]3CC(=O)[C@@H](Cc4ccccc4)[C@@H]4CCC[C@H]2[C@@H]34)cc1	ZINC000211061672	HJ	Annotated	Anodyne	 
O=C1C[C@H]2CCN(C(=O)Cc3ccsc3)[C@H]3CCC[C@@H]([C@@H]1Cc1ccccc1)[C@@H]32	ZINC000211061952	HJ	Annotated	Anodyne	 
COc1ccc(C[C@@H]2C(=O)C[C@H]3CCN(C(=O)c4ccccc4)[C@H]4CCC[C@@H]2[C@@H]43)cc1	ZINC000211062657	HJ	Annotated	Anodyne	 
Cc1cc([C@H]2[C@@H](C(C)C)CC[C@@]2(C)CC(=O)O)c(C(=O)O)c(O)c1Br	ZINC000211330237	HJ	Annotated	Anodyne	
CC(C)(C)[Si](C)(C)OCCCCC(=O)Nc1nc(N)c2c(ccc3[nH]ccc32)n1	ZINC000211447253	HJ	Annotated	Reactive	 
CC1=C[C@@H](C/C(C)=C/CC[C@]2(C)Oc3c(c(=O)oc4cc(O)ccc34)[C@@H]2C)OC1=O	ZINC000211543533	HJ	Annotated	Anodyne	
CC(C)(C)[Si](C)(C)OCCCCC(=O)Nc1nc(N)nc2ccc3[nH]ccc3c12	ZINC000211598804	HJ	Annotated	Reactive	 
CC(=O)C[C@H]1C(=O)C(CO)=CC[C@@](C)(CCC=C(C)C)[C@H]1/C=C\OC(=O)C=C(C)C	ZINC000212682918	HJ	Annotated	Mild	
CC(C)(C)c1cccc(C(=O)NCC2(NC(=O)c3cccc4nocc34)CCCC2)c1	ZINC000213550668	HJ	Annotated	Anodyne	in-vitro
O[C@@H]1Cc2ccccc2[C@H]1NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000213774311	HJ	Annotated	Anodyne	 
O[C@H]1Cc2ccccc2[C@@H]1NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000213774371	HJ	Annotated	Anodyne	 
C/C1=C\Cc2c(O)c(Cl)c(C)c(c2O)[C@@H](O)[C@H]2C(=O)C(C)(C)O[C@@H]2/C(C)=C/CC1	ZINC000214751469	HJ	Annotated	Anodyne	
C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@@](OC(C)=O)(C/C(C)=C/[C@@H](OC(C)=O)C1)OC3=O	ZINC000214875950	HJ	Annotated	Mild	
CC(=O)N1C(=N)S/C(=C\c2cc3ccccc3nc2Sc2ccccc2)C1=O	ZINC000021596642	HJ	Annotated	Anodyne	 
CCOc1cc(CNCc2cccn2-c2sc(C)c(C)c2C(=O)O)ccc1OC	ZINC000021935442	HJ	Annotated	Anodyne	 
Cc1cc(Cl)ccc1-c1ccnc2cc(S(=O)(=O)Nc3ncns3)ccc12	ZINC000215509529	HJ	Annotated	Anodyne	 
O=c1oc2ccc(-c3ccc(F)cc3F)cc2c(=O)n1-c1cccc(C(F)(F)F)c1	ZINC000216068939	HJ	Annotated	Anodyne	 
O=c1oc2ccc(-c3ccc(F)cc3F)cc2c(=O)n1-c1ccc(C(F)(F)F)cc1	ZINC000216069005	HJ	Annotated	Anodyne	 
O=C(NCC1(c2ccc(F)nc2)CCC(F)(F)CC1)c1c(F)cccc1Cl	ZINC000217360057	HJ	Annotated	Anodyne	 
N#Cc1ccccc1C(=O)NCC1(c2ccc(C(F)(F)F)nc2)CCC(F)(F)CC1	ZINC000217361834	HJ	Annotated	Mild	 
C[C@](CNC(=O)c1cccc(F)c1Cl)(CC1CC1)c1cnc(C(F)(F)F)nc1	ZINC000217369079	HJ	Annotated	Anodyne	 
C[C@@](CNC(=O)c1cccc(F)c1Cl)(CC1CC1)c1cnc(C(F)(F)F)nc1	ZINC000217369147	HJ	Annotated	Anodyne	 
CC(C)(O)c1ccc([C@H](CNC(=O)c2cccc(Cl)c2Cl)CC2CC2)cn1	ZINC000217370795	HJ	Annotated	Anodyne	 
CC(C)(O)c1ccc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)CC2CC2)cn1	ZINC000217370881	HJ	Annotated	Anodyne	 
Cc1ncc([C@@H](CNC(=O)c2cccc(F)c2Cl)C2CCC(F)(F)CC2)cn1	ZINC000217375067	HJ	Annotated	Anodyne	 
Cc1ncc([C@H](CNC(=O)c2cccc(F)c2Cl)C2CCC(F)(F)CC2)cn1	ZINC000217375144	HJ	Annotated	Anodyne	 
O=C(NC[C@@H](c1ccncc1)c1ccc(C(F)(F)F)nc1)c1ccccc1Cl	ZINC000217378436	HJ	Annotated	Anodyne	 
O=C(NC[C@H](c1ccncc1)c1ccc(C(F)(F)F)nc1)c1ccccc1Cl	ZINC000217378518	HJ	Annotated	Anodyne	 
O=C(NC[C@@H](c1ccc(F)cc1)c1cnc(C(F)(F)F)nc1)c1ccccc1Cl	ZINC000217379193	HJ	Annotated	Anodyne	 
O=C(NC[C@H](c1ccc(F)cc1)c1cnc(C(F)(F)F)nc1)c1ccccc1Cl	ZINC000217379289	HJ	Annotated	Anodyne	 
O=C(NCC1(c2ccc(F)nc2)CCC(F)(F)CC1)c1cccc(F)c1Cl	ZINC000217383145	HJ	Annotated	Anodyne	 
O=C(NCC1(c2ccc(F)nc2)CCC(F)(F)CC1)c1cccc(Cl)c1F	ZINC000217383223	HJ	Annotated	Anodyne	 
Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@H]3C)cs1	ZINC000217475633	HJ	Annotated	Anodyne	 
CCCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4)c3)cnnc21	ZINC000218113513	HJ	Annotated	Anodyne	 
O=S(=O)(NCCC=C1c2ccccc2CCc2ccccc21)c1ccc(F)cc1	ZINC000218266286	HJ	Annotated	Clean	 
CCCC#Cc1ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@H]2C[C@@H]2c2cccc(F)n2)cc1	ZINC000218462071	HJ	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(N3CCCCC3)cc2)n1	ZINC000218480195	HJ	Annotated	Clean	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(N3CCCCC3)cc2)n1	ZINC000218480274	HJ	Annotated	Clean	 
CC(C)(C)c1ccc(-c2ccc3cc(C(=O)N[C@H]4CN5CCC4CC5)cn3c2)cc1	ZINC000218580889	HJ	Annotated	Anodyne	 
CC(C)[C@H](CO)NCc1cccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)n1	ZINC000218701235	HJ	Annotated	Anodyne	 
COc1cccc2c(NCc3ccccc3)nc(-n3c(CN)cc4ccccc43)nc12	ZINC000218970579	HJ	Annotated	Anodyne	 
COc1cccc2c(NCc3ccccc3)nc(-n3c(OC)nc4ccccc43)nc12	ZINC000219003894	HJ	Annotated	Anodyne	 
CNc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1	ZINC000219007883	HJ	Annotated	Anodyne	 
CN(C)Cc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2	ZINC000219009888	HJ	Annotated	Anodyne	 
Cc1cc2c(Cl)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2	ZINC000219017591	HJ	Annotated	Anodyne	 
COc1cccc2c(NCc3ccccc3)nc(-n3c(N(C)C)nc4ccccc43)nc12	ZINC000219022099	HJ	Annotated	Anodyne	 
N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccccc1	ZINC000219271078	HJ	Annotated	Anodyne	 
COc1ccc(Sc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)cc1	ZINC000219722118	HJ	Annotated	Clean	 
COC(=O)c1ccc2c(c1)C[C@@]1(O2)[C@@H](C)CC[C@@H](OC(=O)c2ccccc2)C1(C)C	ZINC000219732660	HJ	Annotated	Anodyne	
O=C(CSc1ncncc1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-]	ZINC000219757335	HJ	Annotated	Bother	 
C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O	ZINC000219951103	HJ	Annotated	Anodyne	in-vitro
C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O	ZINC000219956331	HJ	Annotated	Anodyne	in-vitro
C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O	ZINC000219956392	HJ	Annotated	Anodyne	in-vitro
CC(C)Oc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1	ZINC000022442036	HJ	Annotated	Anodyne	
COc1ccc2cc([C@H](O)[C@H](C)N3CCN(Cc4ccccc4)CC3)ccc2c1Cl	ZINC000022448450	HJ	Annotated	Anodyne	
CCN(CC)CCNCc1cc2c(c3oc4ccccc4c(=O)c13)C=CC(C)(C)O2	ZINC000022452367	HJ	Annotated	Bother	
CCN(CC)CCNCc1c2c(cc3oc4ccccc4c(=O)c13)OC(C)(C)C=C2	ZINC000022452377	HJ	Annotated	Bother	
C=CCCCC[C@@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1	ZINC000022452382	HJ	Annotated	Mild	
Clc1ccc(NCc2ccncc2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12	ZINC000220123761	HJ	Annotated	Anodyne	 
Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c([C@@H]3CCNC3)cc12	ZINC000220163951	HJ	Annotated	Anodyne	 
Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c([C@H]3CCNC3)cc12	ZINC000220164023	HJ	Annotated	Anodyne	 
Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c([C@@H]3CNCCO3)cc12	ZINC000220164300	HJ	Annotated	Anodyne	 
Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c([C@H]3CNCCO3)cc12	ZINC000220164378	HJ	Annotated	Anodyne	 
CN1CCC(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1	ZINC000220366207	HJ	Annotated	Anodyne	 
CN1CCC(c2cc3c(-c4cncc(NCc5cccc(F)c5)n4)ccnc3[nH]2)CC1	ZINC000220366298	HJ	Annotated	Anodyne	 
Clc1ccc(NCc2cccnc2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12	ZINC000220406446	HJ	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(-c3ccccc3)s2)n1	ZINC000220644882	HJ	Annotated	Anodyne	 
CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1	ZINC000220658234	HJ	Annotated	Anodyne	 
Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2)cc1NC(=O)c1cnc2ccccn12	ZINC000220945888	HJ	Annotated	Anodyne	 
Cc1ccc([C@H](C)NC(=O)Nc2ccccc2)cc1NC(=O)c1cnc2ccccn12	ZINC000220958414	HJ	Annotated	Anodyne	 
COc1ccnc(Oc2ccc(-c3c(C)n[nH]c(=O)c3C)c(C)c2)c1C(F)(F)F	ZINC000220989449	HJ	Annotated	Anodyne	 
O=[N+]([O-])c1cc(CSc2nnc(-c3ccccc3Cl)s2)cc([N+](=O)[O-])c1	ZINC000221020760	HJ	Annotated	Anodyne	 
O=[N+]([O-])c1cc(CSc2nnc(-c3cccc(Cl)c3)s2)cc([N+](=O)[O-])c1	ZINC000221020844	HJ	Annotated	Anodyne	 
O=[N+]([O-])c1cc(CSc2nnc(-c3ccc(Cl)cc3)s2)cc([N+](=O)[O-])c1	ZINC000221020932	HJ	Annotated	Anodyne	 
Cc1cc(C)cc(-c2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)s2)c1	ZINC000221021104	HJ	Annotated	Anodyne	 
CC1(C)[C@H]2Cc3ccccc3[C@]1(C)CCN2C(=O)CC1[C@H]2CC3C[C@H]1CC(O)(C3)C2	ZINC000221058770	HJ	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3cccnc3)cc2)n1	ZINC000221129629	HJ	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(-c3cccnc3)cc2)n1	ZINC000221129683	HJ	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccncc3)cc2)n1	ZINC000221129778	HJ	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(-c3ccncc3)cc2)n1	ZINC000221129834	HJ	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cnc(-c3ccccc3)s2)n1	ZINC000221131487	HJ	Annotated	Anodyne	 
COC(=O)Nc1cccc(-n2c(/C=C/c3ccc(C#N)cc3)nc3ccccc3c2=O)c1	ZINC000221180648	HJ	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(OC3CCCC3)c2)n1	ZINC000221304606	HJ	Annotated	Anodyne	 
Cc1cc(OCC(C)C)ccc1[C@H](C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1	ZINC000221305075	HJ	Annotated	Anodyne	 
CC(C)Oc1ccc([C@H](C)Nc2ncc(F)c(N3C(=O)OC[C@@H]3C(C)C)n2)cc1	ZINC000221305230	HJ	Annotated	Anodyne	 
COc1ccc2cc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)ccc2c1	ZINC000221305309	HJ	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(NCc2ccc(Oc3ccccc3)cc2)n1	ZINC000221307874	HJ	Annotated	Anodyne	 
CC(C)COc1cccc([C@H](C)Nc2ncc(F)c(N3C(=O)OC[C@@H]3C(C)C)n2)c1	ZINC000221308291	HJ	Annotated	Anodyne	 
O=C(O)c1ccccc1NC(=O)N1C[C@H]2CC(c3ccccc3C(F)(F)F)=C[C@H]2C1	ZINC000221309691	HJ	Annotated	Anodyne	 
O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2ccc(F)cc2F)ccc1O	ZINC000221321295	HJ	Annotated	Anodyne	 
CCC[C@H]1Cc2c(C)c3c(n2-c2cc(Cl)c(C(N)=O)cc2O1)CC(C)(C)CC3=O	ZINC000221484087	HJ	Annotated	Anodyne	in-vitro
C[C@H]1C(=O)C[C@H]2[C@@H]1C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]2C	ZINC000221738272	HJ	Annotated	Reactive	 
C[C@@H]1C(=O)C[C@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](C)[C@@H]12	ZINC000221738496	HJ	Annotated	Reactive	 
C[C@@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@H]1c1ccc(N(C)C)cc1	ZINC000221744355	HJ	Annotated	Reactive	 
NCCc1cc(Cl)c(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1O	ZINC000221748912	HJ	Annotated	Anodyne	 
Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4csc(C5CCNCC5)n4)cc32)[nH]1	ZINC000221762993	HJ	Annotated	Anodyne	 
CC(C)(C)C#Cc1cc(N2C(=O)C(C)(C)OC[C@H]2C2CCCCC2)c(C(=O)O)s1	ZINC000221764643	HJ	Annotated	Mild	 
Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4csc([C@@H]5CCCNC5)n4)cc32)[nH]1	ZINC000221964413	HJ	Annotated	Anodyne	 
Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4csc([C@H]5CCCNC5)n4)cc32)[nH]1	ZINC000221964472	HJ	Annotated	Anodyne	 
O=C(Nc1ccccc1)[C@@H]1CSc2c(C3CC3)c(Cc3ccccc3)cc(=O)n21	ZINC000221980626	HJ	Annotated	Anodyne	 
C=C[C@@](C)(O)CCC1=C(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]12C	ZINC000222305068	HJ	Annotated	Mild	
COc1cc([C@@H]2O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc(O)c1OC	ZINC000222461209	HJ	Annotated	Anodyne	
C[C@H](Nc1ncc(F)c(N2CC(C)(C)OC2=O)n1)c1ccc(C(F)(F)F)cc1F	ZINC000222600374	HJ	Annotated	Anodyne	 
O=C1c2ccccc2C(=O)c2c1cc(Sc1ccc(F)cc1F)c1nsnc21	ZINC000222928032	HJ	Annotated	Clean	 
COc1ccccc1Sc1cc2c(c3nsnc13)C(=O)c1ccccc1C2=O	ZINC000222929305	HJ	Annotated	Clean	 
O=C1c2ccccc2C(=O)c2c1cc(SCCc1ccccc1)c1nsnc21	ZINC000222932838	HJ	Annotated	Clean	 
COc1cccc(Sc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)c1	ZINC000222939239	HJ	Annotated	Clean	 
COc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1	ZINC000223037421	HJ	Annotated	Anodyne	 
COc1cccc(F)c1[C@H]1C[C@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1	ZINC000223037537	HJ	Annotated	Anodyne	 
COc1cccc(F)c1[C@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1	ZINC000223037590	HJ	Annotated	Anodyne	 
Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4csc(Cl)c4)cc3=O)cn12	ZINC000223416711	HJ	Annotated	Anodyne	 
Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cc21	ZINC000223438641	HJ	Annotated	Anodyne	 
Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4ccccc4Cl)cc3=O)cc21	ZINC000223449904	HJ	Annotated	Anodyne	 
Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4cc(Cl)cs4)cc3=O)cc21	ZINC000223456524	HJ	Annotated	Anodyne	 
Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4cccc(Cl)c4)cc3=O)cc21	ZINC000223467481	HJ	Annotated	Anodyne	 
Cn1c(C2CCC2)nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc21	ZINC000223471421	HJ	Annotated	Anodyne	 
Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cn12	ZINC000223495686	HJ	Annotated	Anodyne	 
N[C@@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccccc1	ZINC000223659869	HJ	Annotated	Anodyne	 
N[C@@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)c1ccccc1	ZINC000223659949	HJ	Annotated	Anodyne	 
N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccccc1	ZINC000223662038	HJ	Annotated	Anodyne	 
N[C@H](CNc1nc(-c2ccncc2)nc2c(C3CC3)csc12)Cc1ccccc1	ZINC000223662438	HJ	Annotated	Anodyne	 
Cc1cccc(Nc2csc3c(N[C@@H]4CCNC4)nc(-c4ccncc4F)nc23)c1	ZINC000223662786	HJ	Annotated	Anodyne	 
Fc1cccc(Nc2csc3c(N[C@@H]4CCNC4)nc(-c4ccncc4F)nc23)c1	ZINC000223662856	HJ	Annotated	Anodyne	 
Fc1ccc(Nc2csc3c(N[C@@H]4CCNC4)nc(-c4ccncc4F)nc23)cc1	ZINC000223663059	HJ	Annotated	Anodyne	 
Cc1ccccc1Nc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3F)nc12	ZINC000223663296	HJ	Annotated	Anodyne	 
Fc1ccccc1Nc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3F)nc12	ZINC000223663417	HJ	Annotated	Anodyne	 
Cc1sc2nc(-c3ccncc3)nc(N3CCCNCC3)c2c1-c1ccccc1	ZINC000223666804	HJ	Annotated	Anodyne	 
CCCCN1CCN(c2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)CC1	ZINC000223668986	HJ	Annotated	Anodyne	 
C/C=C\c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12	ZINC000223670107	HJ	Annotated	Anodyne	 
N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)C1CCCCC1	ZINC000223672897	HJ	Annotated	Anodyne	 
C[C@@H](Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1ccccc1	ZINC000223678238	HJ	Annotated	Anodyne	 
C[C@H](Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1ccccc1	ZINC000223678808	HJ	Annotated	Anodyne	 
N[C@@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cccs1	ZINC000223686057	HJ	Annotated	Anodyne	 
N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cccs1	ZINC000223686417	HJ	Annotated	Anodyne	 
COc1cc(-c2ccc3ncc(-c4ccc(F)c(Cl)c4)n3n2)cc(OC)c1OC	ZINC000223805311	HJ	Annotated	Anodyne	 
COc1cc(OC)cc([C@H]2[C@@H](c3ccccc3)c3c(OC)cc(OC)cc3[C@@H]2O)c1	ZINC000223875810	HJ	Annotated	Anodyne	 
C=C(C)[C@H](O)CC/C(C)=C\Cc1c(O)ccc(C(=O)/C=C\c2ccc(O)cc2)c1O	ZINC000223904684	HJ	Annotated	Mild	
C=C(C)[C@H](O)CC/C(C)=C\Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O	ZINC000223904747	HJ	Annotated	Mild	
Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(Cl)s4)cc3=O)cc21	ZINC000224386424	HJ	Annotated	Anodyne	 
Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4csc(Cl)c4)cc3=O)cc21	ZINC000224413252	HJ	Annotated	Anodyne	 
COc1cc(Oc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)ncn1	ZINC000224544725	HJ	Annotated	Anodyne	 
CC(C)(C)c1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc(N)n1	ZINC000224556211	HJ	Annotated	Anodyne	 
Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccnc(C(F)(F)F)n3)c2F)cn1	ZINC000224562023	HJ	Annotated	Anodyne	 
Nc1cnc(-c2ccc(C3CCC3)c(Oc3ncc(C(F)(F)F)cn3)c2F)cn1	ZINC000224562323	HJ	Annotated	Anodyne	 
Nc1cnc(-c2ccc(C3CCC3)c(Oc3cc(C(F)(F)F)ncn3)c2F)cn1	ZINC000224563282	HJ	Annotated	Anodyne	 
CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)[C@H]1c1ccc(C#N)cc1	ZINC000224567326	HJ	Annotated	Mild	 
CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)[C@@H]1c1ccc(C#N)cc1	ZINC000224567379	HJ	Annotated	Mild	 
Nc1cnc(-c2ccc(C3CCC3)c(Oc3cnc(C(F)(F)F)cn3)c2F)cn1	ZINC000224567975	HJ	Annotated	Anodyne	 
Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(C(F)(F)F)nn3)c2F)cn1	ZINC000224573421	HJ	Annotated	Anodyne	 
CC(C)CNc1nccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1	ZINC000224576982	HJ	Annotated	Anodyne	 
Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccc(C(F)(F)F)n3)c2F)cn1	ZINC000224586867	HJ	Annotated	Anodyne	 
CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ncc3cc[nH]c3n2)c(F)c1	ZINC000224755165	HJ	Annotated	Anodyne	 
CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1	ZINC000224760636	HJ	Annotated	Anodyne	 
Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3C3=CCNCC3)cc2F)cn1	ZINC000224764433	HJ	Annotated	Anodyne	 
CC(C)CS(=O)(=O)Nc1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1	ZINC000224767725	HJ	Annotated	Anodyne	 
CCCCCCS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1	ZINC000224796097	HJ	Annotated	Anodyne	 
CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3nc[nH]c3c2)c(F)c1	ZINC000224809528	HJ	Annotated	Anodyne	 
C=CCCCC[C@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1	ZINC000022782535	HJ	Annotated	Mild	
Oc1ccc(Cl)c([C@@H]2NCCN[C@@H]2c2c(Cl)ccc(O)c2Cl)c1Cl	ZINC000022925793	HJ	Annotated	Anodyne	
CNC[C@@H](Cc1ccccc1)NC[C@@H](CC1CCCCC1)NCCCc1ccccc1	ZINC000022938842	HJ	Annotated	Anodyne	 
C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1CCN=C=S	ZINC000022938892	HJ	Annotated	Reactive	
O=S(=O)(Nc1ccncn1)c1ccc2c(-c3cccc4ccsc34)nccc2c1	ZINC000225052833	HJ	Annotated	Anodyne	 
O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(Cl)cc3F)cccc2c1	ZINC000225104384	HJ	Annotated	Anodyne	 
O=S(=O)(Nc1ccncn1)c1ccc2c(-c3cc4cc(F)ccc4[nH]3)cccc2c1	ZINC000225115634	HJ	Annotated	Anodyne	 
O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(Cl)cc3)cccc2c1	ZINC000225117600	HJ	Annotated	Anodyne	 
Clc1ccc(NCc2cccnc2)nc1-c1ccnc2[nH]c([C@@H]3CCCNC3)cc12	ZINC000226033823	HJ	Annotated	Anodyne	 
Clc1ccc(NCc2cccnc2)nc1-c1ccnc2[nH]c([C@H]3CCCNC3)cc12	ZINC000226033834	HJ	Annotated	Anodyne	 
Fc1cnc(NCc2ccccc2)cc1-c1ccnc2[nH]c([C@@H]3CCCNC3)cc12	ZINC000226048589	HJ	Annotated	Anodyne	 
Fc1cnc(NCc2ccccc2)cc1-c1ccnc2[nH]c([C@H]3CCCNC3)cc12	ZINC000226048603	HJ	Annotated	Anodyne	 
CCOc1ccc2ccccc2c1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2	ZINC000226050412	HJ	Annotated	Anodyne	 
CCOc1ccc2ccccc2c1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2	ZINC000226051634	HJ	Annotated	Anodyne	 
Clc1ccc(OCc2cccnc2)nc1-c1ccnc2[nH]c([C@@H]3CCCNC3)cc12	ZINC000226053048	HJ	Annotated	Anodyne	 
Clc1ccc(OCc2cccnc2)nc1-c1ccnc2[nH]c([C@H]3CCCNC3)cc12	ZINC000226053057	HJ	Annotated	Anodyne	 
COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCN(C[C@@H]4CCCOC4)C3)cc12	ZINC000226071389	HJ	Annotated	Anodyne	 
COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCN(C[C@@H]4CCCOC4)C3)cc12	ZINC000226071399	HJ	Annotated	Anodyne	 
C[C@@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F	ZINC000227180080	HJ	Annotated	Anodyne	 
COc1ccc2cc([C@@H](O)[C@@H](C)N3CCN(Cc4ccccc4)CC3)ccc2c1Cl	ZINC000023247596	HJ	Annotated	Anodyne	
COc1ccc2cc([C@H](O)[C@@H](C)N3CCN(Cc4ccccc4)CC3)ccc2c1Cl	ZINC000023247597	HJ	Annotated	Anodyne	
COc1ccc2cc([C@@H](O)[C@H](C)N3CCN(Cc4ccccc4)CC3)ccc2c1Cl	ZINC000023247598	HJ	Annotated	Anodyne	
C=C[C@](C)(O)CCC1=C(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]12C	ZINC000230082011	HJ	Annotated	Mild	in-man
C=C[C@@](C)(O)CCC1=C(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]12C	ZINC000230082017	HJ	Annotated	Mild	in-man
C=C[C@](C)(O)CCC1=C(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]12C	ZINC000230082020	HJ	Annotated	Mild	in-man
O=C(O)c1nc2ccc(I)cc2c2[nH]c3c(Cl)cccc3c12	ZINC000230506579	HJ	Annotated	Bother	in-vitro
CN1Cc2cc(-c3cccc([C@H](O)CO)n3)ccc2Oc2ccc(C(F)(F)F)cc21	ZINC000230509123	HJ	Annotated	Anodyne	 
c1ccc(CCNCc2cncc3nc(-c4cnccn4)n(C4CCCCC4)c23)cc1	ZINC000230563335	HJ	Annotated	Anodyne	 
O=C1CN([C@H]2CCCc3c(OCc4ccncc4)cccc32)C(=O)N1C1CCCCC1	ZINC000230567934	HJ	Annotated	Anodyne	 
O=C1CN([C@@H]2CCCc3c(OCc4ccncc4)cccc32)C(=O)N1C1CCCCC1	ZINC000230567954	HJ	Annotated	Anodyne	 
N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(F)cc1Oc1ccc([N+](=O)[O-])cc1C#N	ZINC000230570770	HJ	Annotated	Mild	in-vitro
[C-]#[N+]c1cc(-c2ccnc(Nc3ccn(C4CCNCC4)n3)c2)ccc1OCC1CC1	ZINC000230582920	HJ	Annotated	Anodyne	 
COc1ccc(C(=O)O[C@@H]2C[C@]3(O)[C@@H](C(C)C)CC[C@]3(C)CC=C2C)cc1OC	ZINC000238730678	HJ	Annotated	Anodyne	
COc1cc([C@H]2CC[C@@H]3[C@@H](c4cc(OC)c(O)c(OC)c4)CC[C@H]23)cc(OC)c1O	ZINC000238731048	HJ	Annotated	Anodyne	
C/C=C(\C)C(=O)NC1=CC[C@]2(C)[C@H]3CC[C@]4(C)C([C@H](C)NC)=CC[C@H]4[C@@H]3CC[C@H]2C1=O	ZINC000238731199	HJ	Annotated	Mild	
C=C1[C@H](OC(C)=O)C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)O	ZINC000238731752	HJ	Annotated	Mild	
CC(/C=C/C=C\C=C\C=C(/C)C(=O)N[C@H](C)CO)=C\[C@H](C)[C@@H](O)/C(C)=C/C(C)C	ZINC000238731875	HJ	Annotated	Anodyne	
C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)COC(C)=O)[C@@H]1CC/C(=C\C(=O)O)COC(C)=O	ZINC000238732153	HJ	Annotated	Mild	
O=C(c1cc2ccc(O)cc2[nH]1)c1ncc(-c2c[nH]c3cc(Br)ccc23)[nH]1	ZINC000238732363	HJ	Annotated	Anodyne	
C=C[C@](C)(O)CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)C[C@H](OC(=O)CCC(=O)O)C[C@@]12C	ZINC000238732554	HJ	Annotated	Mild	
COc1cc2oc3cc4c(c(O)c3c(=O)c2c2c1OC(C)(C)CC2)CCC(C)(C)O4	ZINC000238732708	HJ	Annotated	Bother	
C/C=C(/C)C(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@H]2CC[C@@H]1C3	ZINC000238732961	HJ	Annotated	Anodyne	
CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)/C=C/[C@@H](C)C/C=C/[C@@](C)(OC(C)=O)C[C@H](O)[C@@H]12	ZINC000238733465	HJ	Annotated	Anodyne	
CCO[C@@H]1c2c(OC)c(OC)cc(OC)c2-c2ccc3cc4c(cc3c2N1C)OCO4	ZINC000238733554	HJ	Annotated	Anodyne	
C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)CCC=C(COC(=O)/C=C\c3ccc(O)cc3)[C@@H]2C1	ZINC000238733558	HJ	Annotated	Mild	
COC(=O)CC(=O)OCC1=CCC[C@@H]2[C@@](C)(CC[C@H](C)CCO)[C@H](C)CC[C@@]12C	ZINC000238733627	HJ	Annotated	Anodyne	
COC(=O)C[C@@H](C)CC/C=C(/C)CC/C=C(\CC/C=C(\C)C(=O)OC)C(=O)OC	ZINC000238734942	HJ	Annotated	Anodyne	
C=C1[C@H](OC(=O)/C(C)=C\C)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3	ZINC000238735461	HJ	Annotated	Mild	
C=C1[C@H](OC(=O)[C@@H](N)C(C)C)[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3	ZINC000238735568	HJ	Annotated	Mild	
COC(=O)CCC(=O)OC[C@@H]1CC[C@@]2(C)C(C)=CCC[C@@H]2[C@@]1(C)CC/C(C)=C/CO	ZINC000238735577	HJ	Annotated	Anodyne	
C=C(C)C(=O)O[C@H]1CC[C@H]2C(=O)c3occ(C)c3[C@@H](OC(=O)/C(C)=C/C)[C@]2(C)[C@H]1C	ZINC000238735622	HJ	Annotated	Mild	
CC(=O)c1c2c(cc3c(=O)c4c(O)cc(O)c(/C=C/C(C)C)c4oc13)C(C)(C)OC2=O	ZINC000238735903	HJ	Annotated	Bother	
CC(=O)OC/C=C(\C)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@@H](OC(C)=O)[C@@H]1O[C@@]12C	ZINC000238735961	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1[C@H]2[C@H](C)c3ccoc3C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]2[C@H]1OC(C)=O	ZINC000238736023	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1C=C(C)[C@@H]2CC(=O)C(C)=C[C@@H]2C(C)(C)[C@H]1OC(=O)/C(C)=C\C	ZINC000238736390	HJ	Annotated	Mild	
CC(=O)OC/C=C(\CC[C@@]1(C)[C@H](C(=O)O)CC[C@@]2(C)C(C)=CCC[C@@H]21)COC(C)=O	ZINC000238736736	HJ	Annotated	Anodyne	
CC1=CCC[C@H]2[C@@]1(COC(=O)CCC(=O)O)CC[C@@H](C)[C@]2(C)CC/C(C)=C/CO	ZINC000238737174	HJ	Annotated	Anodyne	
CC(C)=C[C@@H]1O[C@](C)(CCc2occc2C)[C@H]2C(=O)[C@H]3[C@H](C)CC[C@@H]3[C@@H](C)[C@@]12O	ZINC000238737299	HJ	Annotated	Anodyne	
CCC(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)OC)O2	ZINC000238737324	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1[C@@]23CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]2CC[C@H](C3)[C@@]12CO2	ZINC000238737464	HJ	Annotated	Anodyne	
COC(=O)[C@@H](C)[C@H]1CC[C@](C)([C@@H]2C[C@@]3(C)[C@H](C)Cc4cc(C)ccc4[C@@]3(C)O2)OO1	ZINC000238737578	HJ	Annotated	Reactive	
O=[N+]([O-])c1cc(Br)ccc1-c1c[nH]c(Br)c1Br	ZINC000238737814	HJ	Annotated	Bother	
CC(=O)c1ccc2oc3c(c2c1)[C@@H](C(=O)c1ccc(O)c(C(C)=O)c1)[C@H](C)C[C@@]3(C)O	ZINC000238737995	HJ	Annotated	Anodyne	
CCCc1cc(OC(=O)c2c(CCC)cc(OC)c(Cl)c2O)cc(O)c1C(=O)O	ZINC000238738080	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@H](C3)[C@@]12CO2	ZINC000238738242	HJ	Annotated	Anodyne	
C[C@H]1OC(=O)C2=C1CC[C@@H]1[C@]2(C)[C@H](O)C[C@H]2[C@@]1(C)CC[C@@H]1C(C)(C)CCC[C@]21CO	ZINC000238738403	HJ	Annotated	Anodyne	
CC(C)=C1C[C@H]2O[C@@H]3CC(=O)O[C@]4(CC[C@]5(C)[C@@H](c6ccoc6)CC(=O)[C@H]5[C@]24C)[C@]13C	ZINC000238738535	HJ	Annotated	Anodyne	
C=C[C@@](C)(CC/C=C(\C)CC[C@@]1(C)C(C)=CCC[C@@H]1C)S(=O)(=O)CCNC(=N)N	ZINC000238738892	HJ	Annotated	Mild	
[C-]#[N+][C@@]12[C@@H]3O[C@@H]3C(C)(C)c3[nH]c4cccc5c4c3[C@@]1(O)[C@@H](CC[C@@]2(C)C=C)C5(C)C	ZINC000238739246	HJ	Annotated	Reactive	
C=CC(C)(C)[C@]12CCN(C)[C@H]1Nc1cc(Br)c(Br)cc12	ZINC000238739638	HJ	Annotated	Mild	
O[C@@H]1CN2CCCCCC/C=C\CC3=C[C@@H]4CN5CCCC/C=C\CC[C@@](C2)([C@@H]14)[C@@H]35	ZINC000238739724	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1[C@H](C(C)C)[C@@H](OC(=O)c2ccccc2)C/C(C)=C/CC[C@]2(C)O[C@H]12	ZINC000238739725	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1C=C(C)[C@@H]2[C@H]3C/C(C)=C/CC[C@@](C)(OC(C)=O)[C@H](O3)[C@@H]2[C@H]1C(C)C	ZINC000238740377	HJ	Annotated	Anodyne	
C=C(C)C(=O)O[C@H]1CC=C2C(=O)c3occ(C)c3[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@H]1C	ZINC000238740718	HJ	Annotated	Mild	
C=C[C@@]1(C)CC[C@H]2[C@]3(C)[C@@H](CC[C@@]2(C)O1)[C@](C)(COC(C)=O)CC[C@H]3OC(C)=O	ZINC000238740976	HJ	Annotated	Mild	
C[C@@]12CC[C@@]34CC[C@H](C5=CC(=O)OC5)[C@@](C)(CC[C@]3(C)[C@]1(C)CC[C@H](O)C2)C4=O	ZINC000238741057	HJ	Annotated	Anodyne	
C[C@@H]1C[C@@H]2CCC[C@@]34CCC[C@@](C1)(N23)[C@]1(O)C[C@@H]2CCC(=O)c3ccc(n32)C=C1C4	ZINC000238741137	HJ	Annotated	Anodyne	
C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](OC(=O)/C(C)=C\C)[C@@H]1OC(=O)/C(C)=C/C	ZINC000238741216	HJ	Annotated	Mild	
CC(=O)C[C@H]1CC(=O)C(CO)=C[C@](C)(CCC=C(C)C)[C@H]1/C=C/OC(=O)C=C(C)C	ZINC000238741315	HJ	Annotated	Mild	
C=C1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1C(C)(C)CCC[C@]21C	ZINC000238741393	HJ	Annotated	Mild	
C=C1CC[C@@H]2[C@@](C)(CO)[C@H](OC(=O)/C(C)=C\C)CC[C@@]2(C)[C@@H]1CCC1=CCOC1	ZINC000238741446	HJ	Annotated	Mild	
C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2C[C@@H](O)C=C(C)[C@@]21C	ZINC000238741779	HJ	Annotated	Anodyne	
COc1ccc(OC)c([C@@H]2O[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H](C)[C@@H]2C)c1	ZINC000238741797	HJ	Annotated	Anodyne	
CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)[C@@H](OC(C)=O)C[C@@]12C	ZINC000238742403	HJ	Annotated	Anodyne	
Cc1ccc2c(c1)C[C@@H](C)[C@]1(C)C[C@@H]([C@@]3(C)CC[C@H]([C@@H](C)C(=O)O)OO3)O[C@]21C	ZINC000238742484	HJ	Annotated	Reactive	
C=C(C)[C@H](O)Cc1c2c(c3oc(-c4ccc(O)cc4)cc(=O)c3c1O)C=CC(C)(C)O2	ZINC000238742564	HJ	Annotated	Mild	
CCCCC[C@@H]1OC(=O)c2cc(ccc2C)Oc2ccc(O)c(C=O)c2/C=C/[C@@H]1O	ZINC000238742684	HJ	Annotated	Anodyne	
COc1cccc2c1Oc1cc(ccc1O)CCC(=O)O[C@@H]1C[C@@H]2N2CCCC[C@@H]2C1	ZINC000238742844	HJ	Annotated	Anodyne	
COc1cc([C@@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@@H]2C)cc(OC)c1OC	ZINC000238742904	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1CC(C)=C[C@H](OC(=O)/C(C)=C\C)[C@]2(C)CC[C@](O)(C(C)C)[C@H]12	ZINC000238743042	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CCC(=O)[C@H](C)[C@@]21C	ZINC000238744098	HJ	Annotated	Anodyne	
Cc1cccc2oc(=O)c3c(c12)O[C@@]1(/C=C/C(C)(C)O)O[C@@H]3[C@@H]2[C@@H](C)CC[C@@H]2[C@H]1C	ZINC000238744135	HJ	Annotated	Anodyne	
COC1=N[C@@H](C)Cc2cc(OC)c(-c3c(C)ccc4ccc(OC)c(O)c34)c(OC)c21	ZINC000238744265	HJ	Annotated	Anodyne	
C=C(c1cc(OC(C)=O)c(C)c(OC)c1O)[C@H](CC=C(C)C)OC(=O)/C(C)=C\C	ZINC000238744704	HJ	Annotated	Mild	
COC(=O)CCC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@H]12)[C@@H]1O[C@@H]14	ZINC000238744753	HJ	Annotated	Anodyne	
CC(C)(O)CCc1c2c(c3oc(-c4ccc(O)cc4)cc(=O)c3c1O)C=CC(C)(C)O2	ZINC000238744849	HJ	Annotated	Anodyne	
C=C[C@]1(C)C[C@]2(O)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2[C@H](OC(=O)C=C(C)C)[C@H]1O	ZINC000238744864	HJ	Annotated	Mild	
CC/C(C)=C/C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2C[C@@H](OC(C)=O)C[C@H](C)[C@@]12C	ZINC000238744986	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1[C@@]2(CO2)[C@@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@@]31C2	ZINC000238745090	HJ	Annotated	Anodyne	
C=C[C@@]1(C)CC[C@H](/C(C)=C/[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)O)C[C@@H]1C(=C)C	ZINC000238745291	HJ	Annotated	Mild	
C/C=C(/C)C(=O)OC[C@@]1(C)CC[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@@H]3[C@H]1[C@H]2C(=O)C[C@H]3C	ZINC000238745390	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(=O)/C(C)=C/C)C(C)(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]13C	ZINC000238745587	HJ	Annotated	Mild	
CC(=O)O[C@H]1C/C(C)=C/C(=O)C[C@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12	ZINC000238745738	HJ	Annotated	Mild	
CC1(C)[C@H]2CC[C@]34C=C[C@](C)(C3)C(=O)C[C@H]4[C@]2(C)[C@@H]2[C@@H](c3ccccc3)OC(=O)[C@@]21O	ZINC000238746136	HJ	Annotated	Anodyne	
CC(C)CC(=O)OC[C@]1(O)C[C@]23CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3	ZINC000238746151	HJ	Annotated	Anodyne	
CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]1[C@@H]1C/C(C)=C/CC[C@@](C)(OC(C)=O)[C@@H]2O1	ZINC000238746169	HJ	Annotated	Anodyne	
CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]1[C@@H]1C/C(C)=C\CC[C@@](C)(OC(C)=O)[C@@H]2O1	ZINC000238746180	HJ	Annotated	Anodyne	
C=C1CCC[C@@H]2[C@@](C)(C[C@@H](OC(C)=O)/C(=C/COC(C)=O)CO)[C@H](C)CC[C@@]12C	ZINC000238746500	HJ	Annotated	Mild	
C=C1CC[C@H]2O[C@@]2(C)CC[C@H]2C([C@@H](CC=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12	ZINC000238746598	HJ	Annotated	Mild	
CCCCCCCCCCC[C@H]1C[C@H](O)C[C@]2(CC[C@@]3(C=CC(=O)C[C@H]3O)O2)O1	ZINC000238746704	HJ	Annotated	Mild	
CC(=O)O[C@@H]1O[C@H](OC(C)=O)C[C@]12O[C@@H]2C[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12	ZINC000238746775	HJ	Annotated	Anodyne	
CC/C=C(/C)C(=O)O[C@@H](C)[C@@H](OC(=O)/C(C)=C\CC)c1cc(OC)c2c(c1)OCO2	ZINC000238747251	HJ	Annotated	Anodyne	
C=CC(=C)CC[C@@]1(C)[C@@H]2CC(=O)C=C(COC(C)=O)[C@]2(COC(C)=O)CC[C@H]1C	ZINC000238747273	HJ	Annotated	Mild	
CC(=O)O[C@H]1C/C(C)=C\C(=O)C[C@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12	ZINC000238747440	HJ	Annotated	Mild	
C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](OC(=O)/C(C)=C\C)[C@@H]1OC(=O)/C(C)=C\C	ZINC000238747574	HJ	Annotated	Mild	
C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)[C@@H](C)CC)C[C@]2(C)[C@H]3C(C)=CC(=O)[C@@H]2[C@H]3C1(C)C	ZINC000238747613	HJ	Annotated	Mild	
CC1(C)O[C@@]2(CC3=CCC[C@]45C[C@]34[C@@H](O[C@H]5c3ccoc3)O2)C[C@@H]1[C@]1(C)C=CC(=O)O1	ZINC000238748010	HJ	Annotated	Anodyne	
CC(C)CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@H]1C[C@](O)(CO)[C@H]3CC[C@]12C3	ZINC000238748020	HJ	Annotated	Anodyne	
C/C=C(\C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CC[C@H]3O[C@@]3(C)[C@@]21C	ZINC000238748038	HJ	Annotated	Anodyne	
C=C(C)[C@H](CC[C@](C)(O)[C@H]1CC[C@]2(C)C[C@H](OC(C)=O)C(=C)CC[C@@H]12)OC(C)=O	ZINC000238748197	HJ	Annotated	Mild	
C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](OC(=O)C(C)C)c3c(C)coc3C(=O)[C@H]12	ZINC000238748434	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H](CC[C@@H]32)[C@@](O)(CO)C4)C1(C)C	ZINC000238748686	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1[C@@H](O)C[C@@]2(C)[C@H](CC/C(C)=C/CO)C(C)=CC[C@@H]2C1(C)C	ZINC000238749060	HJ	Annotated	Anodyne	
C/C=C(\C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CCC(=O)[C@H](C)[C@@]21C	ZINC000238749237	HJ	Annotated	Anodyne	
C=C[C@]1(C)C[C@]2(O)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2[C@H](OC(=O)/C(C)=C/C)[C@H]1O	ZINC000238749299	HJ	Annotated	Mild	
CC(=O)c1c2c(cc3c(=O)c4c(O)cc5c(c4oc13)C=CC(C)(C)O5)C(C)(C)OC2	ZINC000238749683	HJ	Annotated	Bother	
C/C=C/c1ccc(O[C@@H](C)[C@@H](OC(C)=O)c2ccc(OC)c(OC)c2)c(OC)c1	ZINC000238749700	HJ	Annotated	Anodyne	
CC1=CC[C@@H]2C(C)(C)C[C@H](OC(=O)CCC(=O)O)C[C@]2(C)[C@H]1CC/C(C)=C/CO	ZINC000238749743	HJ	Annotated	Anodyne	
C/C=C(\C)C(=O)O[C@@H]1C[C@@H](OC(=O)C=C(C)C)C(C)(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]13C	ZINC000238749750	HJ	Annotated	Mild	
CC(C)=CC(=O)O[C@@H]1C[C@@H](OC(=O)CC(C)C)C(C)(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]13C	ZINC000238749880	HJ	Annotated	Mild	
CC(C)(O)CCC[C@@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3ccc(O)cc3)cc(O)c2O1	ZINC000238749906	HJ	Annotated	Mild	
C[C@H](N)[C@@H]1[C@@H](O)C[C@@]2(C)C[C@@H]3CC[C@H]4C(=CC[C@H](N(C)C)C4(C)C)C=C3[C@H](C)[C@@H]12	ZINC000238750184	HJ	Annotated	Anodyne	
CCC[C@H](CC(=O)OC)c1c2c(c(O)c3c1O[C@@H](C)[C@H](C)C3=O)CCC(C)(C)O2	ZINC000238750739	HJ	Annotated	Anodyne	
COc1cc(-c2oc3c(OC)cc(/C=C/COC(C)=O)cc3c2C)ccc1OC(C)=O	ZINC000238751008	HJ	Annotated	Anodyne	
C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)[C@H]5O[C@H]5[C@@H](OC(=O)[C@H](C)CC)[C@@]4(C)[C@@H]2CC[C@@H]1C3	ZINC000238751108	HJ	Annotated	Mild	
C/C=C(\C)C(=O)O[C@@H]1C[C@@H](OC(=O)CC(C)C)C(C)(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]13C	ZINC000238751255	HJ	Annotated	Mild	
C=C(C)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](OC(C)=O)C[C@]1(C)O[C@H]1CC/C(C)=C/[C@H]2OC(C)=O	ZINC000238751336	HJ	Annotated	Mild	
C/C=C(/C)C(=O)OC[C@]1(C)[C@H]2[C@@H]3C(C)=CC(=O)[C@H]2[C@]3(C)CC[C@H]1OC(=O)/C(C)=C\C	ZINC000238751534	HJ	Annotated	Mild	
C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@H]2CC[C@H](OC(=O)/C(C)=C/C)[C@H](C)[C@]21C	ZINC000238751641	HJ	Annotated	Mild	
C=C1CC[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@H]1CC/C(C)=C/COC(=O)CCC(=O)O	ZINC000238751793	HJ	Annotated	Mild	
CCCCCCCCCCCCCCC[C@H](CC(=O)OC(CO)CO)OC(C)=O	ZINC000238751965	HJ	Annotated	Mild	
CC(=O)O[C@H]1C[C@@H]2[C@H](Cc3occc3[C@@H]2C)[C@@]2(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]12	ZINC000238751967	HJ	Annotated	Anodyne	
CC[C@@H](C)/C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)[C@H](C(C)=O)[C@H]3C2=CO1	ZINC000238752361	HJ	Annotated	Mild	
CC(=O)OC/C1=C\C[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2CC/C(C)=C/[C@@H](OC(C)=O)C1	ZINC000238752403	HJ	Annotated	Anodyne	
CC(=O)O[C@H]1/C=C(/C)CC(=O)C[C@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12	ZINC000238752430	HJ	Annotated	Anodyne	
C/C=C(\C)C(=O)O[C@@H]1C[C@@H](OC(=O)CC(C)C)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C	ZINC000238752522	HJ	Annotated	Mild	
C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(=O)C=C(C)C)C(C)(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]13C	ZINC000238752742	HJ	Annotated	Mild	
COC(=O)/C=C(/C)CC/C=C(/C)CC/C=C(\CC/C=C(\C)C(=O)OC)C(=O)OC	ZINC000238753137	HJ	Annotated	Anodyne	
CCC[C@H](CC(=O)OC)c1c2c(c(O)c3c1O[C@H](C)[C@@H](C)C3=O)CCC(C)(C)O2	ZINC000238753319	HJ	Annotated	Anodyne	
COC(=O)CCC(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CC/C(C)=C/CO)[C@H]1CCC=C2C	ZINC000238754121	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1/C=C(\C)C[C@H](OC(C)=O)[C@H]2[C@H](C(C)(C)O)CC[C@]2(C)/C=C/[C@@H](C)C1	ZINC000238754527	HJ	Annotated	Anodyne	
C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)C=C(C)C)[C@@H]2C)[C@@H](OC(=O)C=C(C)C)C1=O	ZINC000238755399	HJ	Annotated	Mild	
C=C1[C@@H]2[C@H]3CC[C@]2(C)[C@@H](OC(=O)CC)C[C@H]1C[C@@H](O)/C(C)=C/C[C@H](OC(C)=O)[C@H]3C	ZINC000238755550	HJ	Annotated	Mild	
C/C=C(\C)C(=O)OCc1c2c(c(OC)c3occ(COC(C)=O)c13)CCC[C@@H]2C	ZINC000238755703	HJ	Annotated	Anodyne	
C=C1[C@H](OC(=O)/C(C)=C\C)[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3	ZINC000238755895	HJ	Annotated	Mild	
CC1=C(CC/C(=C/C[C@@H](O)[C@@H]2COC(=O)C2)CO)[C@@]2(C)CCCC(C)(C)[C@H]2CC1	ZINC000238755928	HJ	Annotated	Anodyne	
C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)COC(C)=O)[C@@H]1CC/C(=C/C(=O)O)COC(C)=O	ZINC000238756043	HJ	Annotated	Mild	
C/C=C(/C)C(=O)O[C@H]1CC(C)=CC[C@@]2(C)[C@@H](OC(=O)/C(C)=C\C)C[C@@](O)(C(C)C)[C@H]12	ZINC000238756060	HJ	Annotated	Anodyne	
CC(=O)OC/C=C(\C)CC[C@@]1(C)[C@@H]2CC(=O)C=C(C)[C@]2(C)CC[C@H]1COC(C)=O	ZINC000238756166	HJ	Annotated	Mild	
C=C1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@@H](O)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C	ZINC000238756250	HJ	Annotated	Mild	
C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@H]2CC[C@@H]3O[C@]3(C)[C@]12C	ZINC000238756398	HJ	Annotated	Anodyne	
C/C=C(\C)C(=O)O[C@H]1[C@@]2(C)C=C[C@@]13CC[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)C=O)[C@@H]3CC2	ZINC000238756434	HJ	Annotated	Mild	
CC(=O)OCC[C@@H](C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)[C@@H](OC(C)=O)C[C@@]12C	ZINC000238756748	HJ	Annotated	Anodyne	
C=C[C@](C)(CC[C@@]1(C)[C@@H]2CC(=O)C=C(C)[C@]2(C)C[C@@H](OC(C)=O)[C@@H]1C)OC(C)=O	ZINC000238756774	HJ	Annotated	Mild	
C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C(=O)c3occ(C)c3[C@@H](OC(=O)C(C)C)[C@]2(C)[C@H]1C	ZINC000238756906	HJ	Annotated	Anodyne	
C[C@](Br)(CCl)[C@@H](Cl)C[C@@H](Br)[C@](C)(Cl)[C@@H]1CO1	ZINC000238757006	HJ	Annotated	Reactive	
CC1(C)C=Cc2c(cc3c(c2O)C(=O)[C@@H](c2cc(O)c4c(c2)C=CC(C)(C)O4)CO3)O1	ZINC000238757098	HJ	Annotated	Anodyne	
CC1=C2C(=CO[C@H](C)[C@H]2C)C(O)=C(CC2=C(O)C3=CO[C@H](C)[C@@H](C)C3=C(C)C2=O)C1=O	ZINC000238757460	HJ	Annotated	Mild	
C[C@@H]1Cc2c(O)cc(O)c(C(=O)CCc3ccccc3)c2O[C@@H]1c1ccc(O)cc1	ZINC000238758127	HJ	Annotated	Anodyne	
CC(C)c1cc2c(=O)c3c(O)cc4c(c3oc2c2c1[C@](C)(O)CC2=O)C=CC(C)(C)O4	ZINC000238758488	HJ	Annotated	Bother	
C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C	ZINC000238759381	HJ	Annotated	Mild	
C/C=C(/C)C(=O)O[C@@H]1C=C(C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]2[C@]1(C)CC[C@@]2(O)C(C)C	ZINC000238759608	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1CC(C)=C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12	ZINC000238759628	HJ	Annotated	Anodyne	
C=C1[C@H](OC(=O)[C@@]2(C)O[C@@H]2C)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3	ZINC000238759709	HJ	Annotated	Mild	
C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@@H]2CC[C@H]3O[C@@]3(C)[C@@]21C	ZINC000238759868	HJ	Annotated	Anodyne	
CC(C)C1=N[C@@](C)(C2=N[C@@](C)(C3=N[C@](C)(c4nccs4)CS3)CS2)CS1	ZINC000238760139	HJ	Annotated	Anodyne	
C=C(C)C(=O)O[C@H]1CC[C@H]2C(=O)c3occ(C)c3[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@H]1C	ZINC000238760172	HJ	Annotated	Mild	
C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C)[C@@H](OC(=O)/C(C)=C\C)C1=O	ZINC000238760523	HJ	Annotated	Mild	
CC[C@@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)[C@H](C(C)=O)[C@H]3C2=CO1	ZINC000238760576	HJ	Annotated	Mild	
CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@](OC(C)=O)(C(C)C)C=C3C(=O)C[C@H]21	ZINC000238760829	HJ	Annotated	Mild	
C=C1CC[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O	ZINC000238761186	HJ	Annotated	Mild	
COc1cc([C@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@H]2C)cc(OC)c1OC	ZINC000238761321	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H](CC[C@H]32)[C@@]2(CO2)C4)[C@]1(C)C=O	ZINC000238761336	HJ	Annotated	Mild	
CC(C)=CC(=O)O[C@H]1C2=C[C@@](O)(C(C)C)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]2[C@H]1O	ZINC000238761873	HJ	Annotated	Anodyne	
COc1cc(OC)c([C@H]2[C@@H](C)[C@H](C)[C@@H]2c2cc(OC)c(OC)cc2OC)cc1OC	ZINC000238761923	HJ	Annotated	Anodyne	
CC(=O)C[C@H]1CC(=O)C(CO)=C[C@](C)(CCC=C(C)C)[C@H]1/C=C\OC(=O)C=C(C)C	ZINC000238762449	HJ	Annotated	Mild	
C=C1CC[C@@H]2[C@@](C)(CO)[C@H](OC(=O)/C(C)=C\C)CC[C@@]2(C)[C@@H]1CCC1=CC(=O)OC1	ZINC000238762607	HJ	Annotated	Mild	
COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)[C@H]1O[C@@H]2[C@H](C)[C@@H]1C	ZINC000238762731	HJ	Annotated	Anodyne	
C=C1CCC[C@@H]2[C@@](C)(C[C@@H](OC(C)=O)/C(=C/CO)COC(C)=O)[C@H](C)CC[C@@]12C	ZINC000238763192	HJ	Annotated	Mild	
CC(C)C1=CC2=C(C(=O)C1=O)C1=CC[C@H](OC(=O)c3ccccc3)C(C)(C)[C@@H]1C=C2	ZINC000238763228	HJ	Annotated	Mild	
C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)[C@H]3C(C)=CC(=O)[C@@H]2[C@H]3C(C)(C)[C@@H]1OC(=O)/C(C)=C\C	ZINC000238763513	HJ	Annotated	Mild	
CCC[C@H](CC(=O)OC)c1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](C)[C@@H](C)C2=O	ZINC000238763959	HJ	Annotated	Anodyne	
C=C1[C@H](OC(=O)C=C(C)C)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3	ZINC000238764042	HJ	Annotated	Mild	
CC(=O)OCC(COC(C)=O)=C1C=C[C@]2(C)C/C=C(\C)CC[C@H]3O[C@]3(C)CC[C@@H]12	ZINC000238764068	HJ	Annotated	Anodyne	
CCC(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)OC)O2	ZINC000238764187	HJ	Annotated	Anodyne	
CC(C)=CC(=O)O[C@@H]1C[C@@H](OC(=O)CC(C)C)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C	ZINC000238764304	HJ	Annotated	Mild	
C/C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@H]4CO4)C(C)=CC(=O)[C@H]32)C1(C)C	ZINC000238764577	HJ	Annotated	Mild	
CC(=O)OCC[C@@H](C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)[C@@H](OC(C)=O)C[C@@]12C	ZINC000238764621	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1C[C@H](OC(=O)/C(C)=C\C)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C	ZINC000238764622	HJ	Annotated	Mild	
CC(=O)c1c2c(cc3c(=O)c4c(O)cc(O)c(/C=C\C(C)C)c4oc13)C(C)(C)OC2=O	ZINC000238764682	HJ	Annotated	Bother	
C/C=C(/C)C(=O)[C@@H]1C(=O)O[C@]2(C)C(=O)C(Cl)=C3C=C(/C=C\[C@@H](C)CC)OC=C3[C@H]12	ZINC000238765158	HJ	Annotated	Mild	
C/C=C(/C)C(=O)[C@@H]1C(=O)O[C@]2(C)C(=O)C(Cl)=C3C=C(/C=C/[C@@H](C)CC)OC=C3[C@H]12	ZINC000238765169	HJ	Annotated	Mild	
C/C=C(\C)C(=O)[C@@H]1C(=O)O[C@]2(C)C(=O)C(Cl)=C3C=C(/C=C\[C@@H](C)CC)OC=C3[C@H]12	ZINC000238765183	HJ	Annotated	Mild	
C/C=C(\C)C(=O)O[C@H]1CC[C@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1OC(=O)/C(C)=C/C	ZINC000238765195	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)/C(C)=C/C)C[C@]2(C)[C@H]3C(C)=CC(=O)[C@@H]2[C@H]3C1(C)C	ZINC000238765278	HJ	Annotated	Mild	
CCOCc1c(OCC)c2c3c(cc4ccc(OC)cc4c3c1OC)N(CC)C2=O	ZINC000238765321	HJ	Annotated	Bother	
C=C/C(C)=C/C[C@H]1[C@](C)(O)[C@@H](O)[C@H](OC(=O)/C(C)=C\C)[C@H]2C(C)(C)CCC[C@@]21C	ZINC000238765351	HJ	Annotated	Anodyne	
C/C=C\c1ccc(O[C@@H](C)[C@@H](OC(C)=O)c2ccc(OC)c(OC)c2)c(OC)c1	ZINC000238765433	HJ	Annotated	Anodyne	
C=C(C)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H](OC(=O)C=C(C)C)[C@@H]2C)[C@H](OC(=O)/C(C)=C/C)C1=O	ZINC000238765447	HJ	Annotated	Mild	
C/C=C(\C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1OC(=O)CC(C)C	ZINC000238765597	HJ	Annotated	Anodyne	
CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1CC(=O)[C@@]1(C)C2=CC[C@@H](c4ccoc4)[C@]2(C)CC[C@@H]13	ZINC000238765731	HJ	Annotated	Anodyne	
C=C(C)[C@@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@@H](OC(=O)/C(C)=C/C)[C@H]1OC(=O)/C(C)=C/C	ZINC000238766173	HJ	Annotated	Mild	
CC(=O)O[C@H]1C[C@](C)(OC(C)=O)/C=C/C[C@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]12	ZINC000238766213	HJ	Annotated	Anodyne	
Cc1cccc2oc(=O)c3c(c12)O[C@@]1(/C=C/C(C)(C)O)O[C@H]3[C@@H]2[C@@H](C)CC[C@@H]2[C@H]1C	ZINC000238766337	HJ	Annotated	Anodyne	
COc1cc(O)c(C(=O)/C=C/c2ccccc2)c2c1[C@H]1[C@H](C(C)C)CC[C@@](C)(O)[C@H]1O2	ZINC000238766468	HJ	Annotated	Mild	
C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(=O)C=C(C)C)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C	ZINC000238766774	HJ	Annotated	Mild	
CC1(C)O[C@]2(CC3=CCC[C@]45C[C@]34[C@@H](O[C@H]5c3ccoc3)O2)C[C@@H]1[C@]1(C)C=CC(=O)O1	ZINC000238767158	HJ	Annotated	Anodyne	
CC(C)=C1C[C@H]2O[C@@H]3CC(=O)O[C@@]4(CC[C@@]5(C)[C@H](c6ccoc6)CC(=O)[C@H]5[C@]24C)[C@]13C	ZINC000238767535	HJ	Annotated	Anodyne	
C=C(C)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H](OC(=O)/C(C)=C/C)[C@@H]2C)[C@H](OC(=O)C=C(C)C)C1=O	ZINC000238767818	HJ	Annotated	Mild	
CC(C)=CCC1=C2O[C@H](c3ccc(O)c(O)c3)CC(=O)C2=C(O)[C@@H]2C=CC(C)(C)O[C@H]12	ZINC000238767934	HJ	Annotated	Mild	
CO[C@H]1C[C@@H](CC[C@@]2(C)[C@H](C)CC[C@@]3(C)C(COC(=O)CC(=O)O)=CCC[C@H]23)CO1	ZINC000238767938	HJ	Annotated	Anodyne	
C=C[C@@]1(C)CC[C@H](/C(=C/C[C@H](OC(C)=O)C(C)(C)O)COC(C)=O)C[C@@H]1C(=C)C	ZINC000238768074	HJ	Annotated	Mild	
COc1cc(O)c(C(=O)/C=C\c2ccccc2)c2c1[C@H]1[C@H](C(C)C)CC[C@](C)(O)[C@H]1O2	ZINC000238768388	HJ	Annotated	Mild	
COc1cc(O)c(C(=O)/C=C/c2ccccc2)c2c1[C@H]1[C@H](C(C)C)CC[C@](C)(O)[C@H]1O2	ZINC000238768400	HJ	Annotated	Mild	
CC(=O)OC/C=C(/C)CC/C=C(/CC/C=C(\C)CCC(=O)C(C)(C)O)COC(C)=O	ZINC000238768427	HJ	Annotated	Anodyne	
C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)CCC=C(COC(=O)/C=C/c3ccc(O)cc3)[C@@H]2C1	ZINC000238768556	HJ	Annotated	Mild	
CC(=O)O[C@@H]1[C@@H](C)[C@](C)(CC/C(C)=C\C(=O)O)[C@H]2CCC=C(C)[C@]2(C)[C@H]1OC(C)=O	ZINC000238768579	HJ	Annotated	Anodyne	
C=C1[C@H](OC(=O)CC(C)C)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3	ZINC000238768645	HJ	Annotated	Mild	
C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3C4=C(C[C@@H]13)[C@@]1(C)CCC(=O)C[C@@H]1CC4)[C@]2(C)O	ZINC000238769077	HJ	Annotated	Anodyne	
C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](OC(=O)C=C(C)C)[C@@H]1OC(=O)/C(C)=C/C	ZINC000238769132	HJ	Annotated	Mild	
C[C@H](N)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](N(C)C)C4(C)C)C=C3CC[C@]12C	ZINC000238769133	HJ	Annotated	Anodyne	
CN[C@H]1C=CC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@@H]2[C@@]1(C)CO	ZINC000238769243	HJ	Annotated	Anodyne	
COc1cc2oc3cc(O)c4c(c3c(=O)c2c2c1O[C@@H](C(C)C)C2)OC(C)(C)CC4	ZINC000238769491	HJ	Annotated	Bother	
C=C(C)CCc1c(OC)c(O)cc2oc3cc4c(c(O)c3c(=O)c12)CCC(C)(C)O4	ZINC000238769509	HJ	Annotated	Mild	
CC(=O)OCC[C@@H](CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(CO)=CCC[C@H]12)COC(C)=O	ZINC000238769517	HJ	Annotated	Anodyne	
CC(=O)OC/C=C(\C)C[C@H](O)[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@@]12C	ZINC000238769566	HJ	Annotated	Anodyne	
CC(C)=CCC[C@](C)(O)[C@H]1Cc2c(ccc(C(=O)/C=C\c3ccc(O)cc3)c2O)O1	ZINC000238769779	HJ	Annotated	Mild	
C=C1CC[C@@H]2[C@@](C)(CO)[C@H](OC(=O)/C(C)=C\C)CC[C@@]2(C)[C@@H]1CC/C(C)=C/CO	ZINC000238769866	HJ	Annotated	Mild	
COc1ccc2c(c1O)Oc1ccc(cc1)CCC(=O)O[C@@H]1C[C@@H]2N2CCCC[C@@H]2C1	ZINC000238769949	HJ	Annotated	Anodyne	
COc1ccc(C(=O)O[C@H]2CC(C)=CC[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1OC	ZINC000238770046	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(=O)CC(C)C)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C	ZINC000238770262	HJ	Annotated	Mild	
CC(=O)O[C@H]1c2c(C)coc2C/C(C)=C/CC[C@@H](C)[C@@H]2CC[C@](C)(O2)[C@@H]1OC(C)=O	ZINC000238770404	HJ	Annotated	Anodyne	
CC[C@H](C)CC(=O)O[C@@H]1CC[C@H]2C(=O)c3occ(C)c3[C@@H](OC(C)=O)[C@]2(C)[C@H]1C	ZINC000238770513	HJ	Annotated	Anodyne	
C/C=C(\C)C(=O)O[C@@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C	ZINC000238770521	HJ	Annotated	Mild	
C=C1[C@@H]2CC[C@]3(O)[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]43C)(C2)[C@@H]1OC(=O)/C(C)=C\C	ZINC000238770905	HJ	Annotated	Mild	
CC1=CCC[C@H]2[C@@]1(C)CC[C@@H](COC(=O)CCC(=O)O)[C@]2(C)CC/C(C)=C/CO	ZINC000238771023	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]2Cc3occc3[C@H](C)[C@H]2[C@H]1OC(C)=O	ZINC000238771375	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@H]3O[C@]32C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]1C	ZINC000238771402	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@@H]3O[C@@]32C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]1C	ZINC000238771895	HJ	Annotated	Anodyne	
C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)C=C(C)C)[C@@H]2C)[C@@H](OC(=O)/C(C)=C\C)C1=O	ZINC000238772213	HJ	Annotated	Mild	
C/C=C(/C)C(=O)O[C@@H]1C=C(C)[C@H](OC(C)=O)C[C@H]1[C@H](C)C[C@H](C=C(C)C)OC(C)=O	ZINC000238772409	HJ	Annotated	Anodyne	
CC1=C(C[C@]23CCC[C@@H]4C[C@@H](C)C[C@H]([C@@H](CO)C2)N43)C[C@@H]2CCC(=O)c3ccc1n32	ZINC000238772869	HJ	Annotated	Anodyne	
CC(C)=CCC/C(C)=C\[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3C[C@@H](O)C(C)=C[C@H]3O2)O1	ZINC000238773333	HJ	Annotated	Anodyne	
C=C1CCC[C@@H]2[C@@](C)(Cc3cc(C=O)cc(O)c3OS(=O)(=O)O)[C@H](C)CC[C@@]12C	ZINC000238773372	HJ	Annotated	Mild	
C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C/C)[C@@H]2C)[C@@H](OC(=O)C=C(C)C)C1=O	ZINC000238773720	HJ	Annotated	Mild	
CC(C)=CC(=O)O[C@H]1[C@@H](O)C2=C[C@@](O)(C(C)C)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12	ZINC000238773879	HJ	Annotated	Anodyne	
C=C1[C@H](OC(=O)/C(C)=C/C)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3	ZINC000238774125	HJ	Annotated	Mild	
CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]1C[C@@H](OC(C)=O)C1=C[C@@]3(C(C)C)CC[C@]12OO3	ZINC000238774190	HJ	Annotated	Reactive	
C=C1[C@H]2CC[C@]3(O)[C@@]4(C)CCC[C@](C)(C(=O)O)[C@@H]4CC[C@@]3(C2)[C@@H]1OC(=O)/C(C)=C/C	ZINC000238774315	HJ	Annotated	Mild	
COC1=C(C)[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)[C@H]3C(C)=CO[C@@H]3C[C@@]2(C)CC1	ZINC000238774492	HJ	Annotated	Anodyne	
C/C=C(\C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2C[C@@H](O)C=C(C)[C@@]21C	ZINC000238774643	HJ	Annotated	Anodyne	
CC(=O)O[C@H]1C[C@](C)(O)/C=C/C[C@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12	ZINC000238774954	HJ	Annotated	Anodyne	
CC1=CC(=O)[C@@H]2[C@@H]3[C@H]1[C@@]2(C)[C@H](OC(=O)CC(C)C)C[C@@H](OC(=O)CC(C)C)C3(C)C	ZINC000238775083	HJ	Annotated	Mild	
C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CC[C@H]3O[C@@]3(C)[C@@]21C	ZINC000238775494	HJ	Annotated	Anodyne	
COC(=O)CCC(=O)OC[C@]12CC[C@@H]3[C@](CC[C@@H]4C(C)(C)CCC[C@@]34C)(C1)[C@@H]1O[C@@H]12	ZINC000238775513	HJ	Annotated	Anodyne	
CC(=O)C[C@H]1C(=O)[C@H]2COC(C)(C)[C@H]3CC[C@](C)(C[C@H]32)[C@H]1/C=C/OC(=O)C=C(C)C	ZINC000238775602	HJ	Annotated	Anodyne	
C/C(=C/Cc1c(O)cc(O)cc1-c1cc2ccc(O)cc2o1)CC[C@H](O)C(C)(C)O	ZINC000238775785	HJ	Annotated	Anodyne	
CC(=O)Oc1c(C(C)C)cc(C=O)c2c1O[C@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@]21C	ZINC000238776111	HJ	Annotated	Anodyne	
C=C(/C(Cl)=C/Br)[C@H](Cl)C[C@@H](O)[C@@](C)(Br)CCl	ZINC000238776167	HJ	Annotated	Reactive	
COc1cc2c(c(OC)c1O)[C@@H]1O[C@H](c3cc(OC)c(OC)c(OC)c3-2)[C@H](C)[C@@H]1C	ZINC000238776300	HJ	Annotated	Anodyne	
CC/C(C)=C/C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(C)=O)[C@H](C)[C@@]12C	ZINC000238776555	HJ	Annotated	Anodyne	
C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@]21C	ZINC000238776998	HJ	Annotated	Mild	
COC(=O)CCC(=O)OC/C=C(\C)CC[C@H]1C(C)=CC[C@H]2C(C)(C)C[C@H](O)C[C@@]21C	ZINC000238777072	HJ	Annotated	Anodyne	
C/C=C(\C)C(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H](CC[C@H]32)[C@]2(CO2)C4)[C@]1(C)C=O	ZINC000238777099	HJ	Annotated	Mild	
C=CCOc1c(OC)cc2c(c1OC)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C	ZINC000238777287	HJ	Annotated	Mild	
COC1=C(OC)[C@H](O)[C@@H](C/C=C(\C)CC/C=C(\C)CCCC(C)(C)O)[C@H](C)C1=O	ZINC000238777599	HJ	Annotated	Mild	
CC(=O)O[C@H]1/C=C(\C)CC[C@@H]2[C@@](C)(C/C=C(\CO)C1)CC[C@@]2(OC(C)=O)C(C)C	ZINC000238777729	HJ	Annotated	Anodyne	
C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1[C@H](CC)CCOC(=O)CCC(=O)O	ZINC000238777781	HJ	Annotated	Mild	
CN[C@H]1C=CC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)CO	ZINC000238779026	HJ	Annotated	Anodyne	
CCCC[C@H](CC(=O)O)c1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](C)[C@@H](C)C2=O	ZINC000238779188	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1CC[C@](C)(COC(=O)/C(C)=C/C)[C@H]2[C@@H]3[C@H](C)CC(=O)[C@H]2[C@@]31C	ZINC000238779506	HJ	Annotated	Anodyne	
CC(C)=CCC/C(C)=C/CC[C@](C)(O)[C@@H]1Oc2c(c3ccccc3[n+]([O-])c2C)[C@@H]1O	ZINC000238779586	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)-c1cc(OC)c(OC)cc1[C@H]1CN3CCCC[C@H]3C=C21	ZINC000238779997	HJ	Annotated	Anodyne	
C=C1[C@@H]2CC[C@]3(O)[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]43C)(C2)[C@@H]1OC(=O)CC(C)C	ZINC000238780021	HJ	Annotated	Mild	
C=C(C)[C@]1(CC/C(C)=C/CC/C(C=O)=C\C[C@@H](O)C2=CC(=O)O[C@H]2O)CCC[C@H]1C	ZINC000238780069	HJ	Annotated	Reactive	
C=C(C)[C@@]1(CC/C(C)=C\CC/C(C=O)=C\C[C@@H](O)C2=CC(=O)O[C@H]2O)CCC[C@H]1C	ZINC000238780413	HJ	Annotated	Reactive	
C=C(C)[C@@]1(CC/C(C)=C\CC/C(C=O)=C/C[C@@H](O)C2=CC(=O)O[C@H]2O)CCC[C@H]1C	ZINC000238780423	HJ	Annotated	Reactive	
C=C(C)[C@@]1(CC/C(C)=C/CC/C(C=O)=C/C[C@@H](O)C2=CC(=O)O[C@H]2O)CCC[C@H]1C	ZINC000238780425	HJ	Annotated	Reactive	
C/C=C(/C)C(=O)O[C@H]1C[C@H](OC(=O)/C(C)=C/C)C(C)(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]13C	ZINC000238780668	HJ	Annotated	Mild	
C/C=C(\C)C(=O)O[C@@H]1C[C@@H](OC(=O)C=C(C)C)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C	ZINC000238780999	HJ	Annotated	Mild	
C/C=C(\C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)CC[C@@H]2Cc3occ(C)c3C[C@@]21C	ZINC000238781009	HJ	Annotated	Anodyne	
CC(C)=CC(=O)O[C@@H]1C[C@@H](OC(=O)C=C(C)C)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C	ZINC000238781232	HJ	Annotated	Mild	
CCCC[C@H](CC(=O)O)c1c2c(c(O)c3c1O[C@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2	ZINC000238781239	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@@H]3[C@@H]([C@H]2C(=O)C[C@H]3C)C1(C)C	ZINC000238781924	HJ	Annotated	Anodyne	
COc1cc(-c2oc3c(OC)cc(/C=C\COC(C)=O)cc3c2C)ccc1OC(C)=O	ZINC000238782088	HJ	Annotated	Anodyne	
CC(C)=CCC[C@H](C)/C=C/C=C(\C)[C@@H]1CC[C@@H](C(=O)NCCS(=O)(=O)O)CC1	ZINC000238782180	HJ	Annotated	Anodyne	
CCC(=O)[C@@H](C)/C=C(\C)[C@H]1[C@H](C)C(=O)[C@@]2(C)[C@@H]1[C@]2(C)c1oc(OC)c(C)c(=O)c1C	ZINC000238782208	HJ	Annotated	Anodyne	
COC(=O)CCC(=O)OC[C@]12C=C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C=O)[C@@H]3CC1)C2	ZINC000238782249	HJ	Annotated	Mild	
CC(=O)OC[C@]12C(C)=CCC[C@H]1[C@](C)(C[C@@H](OC(C)=O)c1ccoc1)[C@@H](C)C[C@H]2O	ZINC000238782418	HJ	Annotated	Anodyne	
CC1=C2[C@H](OC(=O)/C=C/c3ccccc3)[C@H](C(C)C)CC[C@@]2(C)[C@H](O)C[C@H]1OO	ZINC000238782514	HJ	Annotated	Reactive	
C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)C=C(C)C)[C@@H]2C)[C@@H](OC(=O)/C(C)=C/C)C1=O	ZINC000238782617	HJ	Annotated	Mild	
C/C=C(/C)C(=O)OC[C@]1(C)[C@@H](OC(=O)/C(C)=C\C)CC[C@]2(C)[C@H]3C(C)=CC(=O)[C@@H]2[C@H]31	ZINC000238782982	HJ	Annotated	Mild	
C=C1[C@H]2CC[C@]3(O)[C@@]4(C)CCC[C@](C)(C(=O)O)[C@@H]4CC[C@@]3(C2)[C@@H]1OC(=O)/C(C)=C\C	ZINC000238783525	HJ	Annotated	Mild	
CC(C)[C@]1(OO)C=C[C@@]2(C)[C@H](O)CC[C@](C)(OC(=O)/C=C/c3ccccc3)[C@@H]2C1	ZINC000238783679	HJ	Annotated	Reactive	
COC(=O)/C=C(\C)CC/C=C(/C)CC/C=C(\CC/C=C(\C)C(=O)OC)C(=O)OC	ZINC000238784000	HJ	Annotated	Anodyne	
CC(C)=CCC/C(C)=C\[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3C[C@H](O)C(C)=C[C@H]3O2)O1	ZINC000238784048	HJ	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OCC(C)C)[C@]2(C)[C@H]1C(=O)O	ZINC000238784205	HJ	Annotated	Anodyne	
CC1(C)[C@H]2c3cc([C@H]4CC(=O)c5c(O)cc(O)cc5O4)c(O)cc3O[C@@]3(C)CC[C@@H]1[C@@H]23	ZINC000238784461	HJ	Annotated	Anodyne	
C[C@@H]1Cc2c(O)cc(O)c(C(=O)CCc3ccccc3)c2O[C@H]1c1ccc(O)cc1	ZINC000238784755	HJ	Annotated	Anodyne	
CCCCC1=C2CCC=C[C@]2([C@@H]2C3=C(CC[C@@H]2O)[C@@H](CCCC)OC3=O)C(=O)O1	ZINC000238784994	HJ	Annotated	Anodyne	
Cc1c2c(c3oc4c(C(=O)O)c(=O)c(C)c5c-4c(c3c1O)O[C@H](C)[C@H]5C)O[C@H](C)[C@H]2C	ZINC000238785585	HJ	Annotated	Bother	
CC1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)[C@H](OC(=O)CC(C)C)CC[C@@]4(C)[C@]2(O)CC[C@@H]1C3	ZINC000238785618	HJ	Annotated	Anodyne	
CC[C@H](C)/C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@H](C)CC)=C3C2=CO1	ZINC000238785958	HJ	Annotated	Mild	
CC1(C)OC(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](c5ccoc5)C[C@H]5O[C@]54[C@]3(C)C(=O)C[C@@H]12	ZINC000238786223	HJ	Annotated	Anodyne	
C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC/C(C)=C\C(=O)O[C@@H](CO)COC(C)=O	ZINC000238786500	HJ	Annotated	Mild	
C/C(=C\Cc1c(O)cc(-c2cc3ccc(O)cc3o2)cc1O)CC[C@H](O)C(C)(C)O	ZINC000238787052	HJ	Annotated	Anodyne	
C[C@H]1Cc2c(O)cc(O)c(C(=O)CCc3ccccc3)c2O[C@H]1c1ccc(O)cc1	ZINC000238787279	HJ	Annotated	Anodyne	
COc1cc(O)c(C(=O)/C=C\c2ccccc2)c2c1[C@@H]1[C@@H](C(C)C)CC[C@](C)(O)[C@@H]1O2	ZINC000238787797	HJ	Annotated	Mild	
COc1cc(O)c(C(=O)/C=C/c2ccccc2)c2c1[C@@H]1[C@@H](C(C)C)CC[C@](C)(O)[C@@H]1O2	ZINC000238787798	HJ	Annotated	Mild	
C/C=C(/C)C(=O)C1=C2C3=COC(/C=C\[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O	ZINC000238787940	HJ	Annotated	Mild	
C/C=C(/C)C(=O)C1=C2C3=COC(/C=C/[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O	ZINC000238787942	HJ	Annotated	Mild	
C/C=C(\C)C(=O)C1=C2C3=COC(/C=C\[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O	ZINC000238787943	HJ	Annotated	Mild	
COC1=C(OC)[C@H](O)[C@@H](C/C=C(/C)CC/C=C(\C)CCCC(C)(C)O)[C@H](C)C1=O	ZINC000238788032	HJ	Annotated	Mild	
COC1=C(OC)[C@H](O)[C@@H](C/C=C(\C)CC/C=C(/C)CCCC(C)(C)O)[C@H](C)C1=O	ZINC000238788034	HJ	Annotated	Mild	
COC1=C(OC)[C@H](O)[C@@H](C/C=C(/C)CC/C=C(/C)CCCC(C)(C)O)[C@H](C)C1=O	ZINC000238788035	HJ	Annotated	Mild	
C=C1CC/C=C(/C)CC[C@@H]2C([C@H](C[C@H]3OC3(C)C)OC(C)=O)=CO[C@@H](OC(C)=O)[C@@H]12	ZINC000238788418	HJ	Annotated	Mild	
C/C=C(/C)C(=O)O[C@H]1C[C@H](OC(=O)/C(C)=C/C)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C	ZINC000238789338	HJ	Annotated	Mild	
C/C=C(\C)C(=O)O[C@H]1C[C@H](OC(=O)/C(C)=C/C)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C	ZINC000238789339	HJ	Annotated	Mild	
CC(C)=CCC[C@@]1(C)Oc2c(C(=O)/C=C\c3ccc(O)cc3)ccc(O)c2C[C@@H]1O	ZINC000238789651	HJ	Annotated	Mild	
C=C1CC[C@H]2[C@@](C)(CCC[C@]2(C)/C=C/C=C(C)C)[C@@H]1CC(=O)NCCS(=O)(=O)O	ZINC000238789710	HJ	Annotated	Mild	
CC(C)[C@]12CC[C@]3(C[C@@H](c4ccccc4)c4c(O)c(C=O)c(O)c(C=O)c4O3)[C@H]1C2	ZINC000238789738	HJ	Annotated	Anodyne	
CCCCC[C@@H]1CCN2c3c1cc(C(=O)O)cc3[C@@H]1C=CC[C@H]1[C@@H]2c1ccccc1	ZINC000239274664	HJ	Annotated	Clean	 
CCCCC[C@@H]1CCN2c3c1cc(C(=O)O)cc3[C@@H]1C=CC[C@@H]1[C@H]2c1ccccc1	ZINC000239274665	HJ	Annotated	Clean	 
CCCCC[C@@H]1CCN2c3c1cc(C(=O)O)cc3[C@@H]1C=CC[C@H]1[C@H]2c1ccccc1	ZINC000239274666	HJ	Annotated	Clean	 
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H]1c2ccccc2O[C@@H]2C=CC=C[C@@H]12	ZINC000245296073	HJ	Annotated	Anodyne	 
CC(C)CN(CC(C)C)c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1	ZINC000002500048	HJ	Annotated	Anodyne	
CCN(Cc1ccccc1)c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1	ZINC000002500050	HJ	Annotated	Anodyne	
CCN(c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1)C1CCCCC1	ZINC000002500185	HJ	Annotated	Anodyne	
N#Cc1ccc(-c2cccnc2)nc1SCC(=O)c1ccc(Br)cc1	ZINC000002500636	HJ	Annotated	Mild	 
O=C(Nc1ccc(Cl)cc1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12	ZINC000002504262	HJ	Annotated	Anodyne	 
CC(C)(C)O[C@@H]1CC[C@](CO)(NC(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000002527639	HJ	Annotated	Anodyne	 
O=C(N[C@@H](CC1CCSCC1)C(=O)O)OCC1c2ccccc2-c2ccccc21	ZINC000002583460	HJ	Annotated	Anodyne	 
Sc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1N=Cc1c(Cl)cccc1Cl	ZINC000002593244	HJ	Annotated	Anodyne	 
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H]1c2ccccc2O[C@H]2C=CC=C[C@@H]21	ZINC000002721992	HJ	Annotated	Anodyne	 
COc1ccccc1C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1	ZINC000002724569	HJ	Annotated	Anodyne	 
COc1ccccc1C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1	ZINC000002724570	HJ	Annotated	Anodyne	 
COc1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@H]2c2ccccc2)cc1	ZINC000002724575	HJ	Annotated	Anodyne	 
COc1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)cc1	ZINC000002724576	HJ	Annotated	Anodyne	 
CCOc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccc(F)cc2)cc1	ZINC000002724761	HJ	Annotated	Anodyne	 
CCOc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccc(F)cc2)cc1	ZINC000002724762	HJ	Annotated	Anodyne	 
O=c1c2sccc2nc(SCc2nc3ccccc3[nH]2)n1-c1ccc(F)cc1	ZINC000002908867	HJ	Annotated	Anodyne	 
COc1ccc(/C=C2\CCCC3=C2N=C2N=NNN2[C@H]3c2ccc(OC)cc2)cc1	ZINC000002916666	HJ	Annotated	Anodyne	 
COc1ccc(/C=C2\CCCC3=C2N=C2N=NNN2[C@@H]3c2ccc(OC)cc2)cc1	ZINC000002916670	HJ	Annotated	Anodyne	 
Fc1cccc(Cl)c1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2ncnn21	ZINC000002918595	HJ	Annotated	Anodyne	 
Fc1cccc(Cl)c1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2ncnn21	ZINC000002918598	HJ	Annotated	Anodyne	 
Fc1cccc(Cl)c1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2ncnn21	ZINC000002918600	HJ	Annotated	Anodyne	 
CCc1ccc(OC(=O)c2sc3ncn(Cc4cccc(F)c4)c(=O)c3c2C)cc1	ZINC000002920020	HJ	Annotated	Anodyne	
CCN(CC)c1nc(C)nc2sc(C(=O)Nc3cnc4ccccc4c3)c(C)c12	ZINC000002925911	HJ	Annotated	Anodyne	 
Cc1c(C(=O)N2CCCCCC2)sc2ncnc(N3CCc4ccccc4C3)c12	ZINC000002931548	HJ	Annotated	Anodyne	 
Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cccc(Cl)c2)N1	ZINC000002936773	HJ	Annotated	Clean	
Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cccc(Cl)c2)N1	ZINC000002936774	HJ	Annotated	Clean	
Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cccc(Cl)c2)N1	ZINC000002936775	HJ	Annotated	Clean	
Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cccc(Cl)c2)N1	ZINC000002936776	HJ	Annotated	Clean	
Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2c(F)cccc2Cl)N1	ZINC000002936819	HJ	Annotated	Clean	
Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2c(F)cccc2Cl)N1	ZINC000002936820	HJ	Annotated	Clean	
Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2c(F)cccc2Cl)N1	ZINC000002936823	HJ	Annotated	Clean	
Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2c(F)cccc2Cl)N1	ZINC000002936825	HJ	Annotated	Clean	
COc1ccccc1-c1nc(-c2ccc(Br)cc2)c(CC(=O)O)s1	ZINC000002955989	HJ	Annotated	Anodyne	 
COc1ccc(Nc2nc(-c3cc4cc(OC)ccc4oc3=O)cs2)c(OC)c1	ZINC000002956171	HJ	Annotated	Anodyne	
COc1ccc2oc(=O)c(-c3csc(N(C(C)=O)c4ccc(F)cc4)n3)cc2c1	ZINC000002956328	HJ	Annotated	Anodyne	 
C[C@@H]1c2nc(NC(=O)C3CCCC3)sc2C[C@]2(C)CC[C@H]3[C@@H](C)C(=O)O[C@H]3[C@@H]12	ZINC000025187845	HJ	Annotated	Anodyne	
C[C@@H]1C(=O)O[C@@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)C4CCCC4)nc3[C@@H](C)[C@H]21	ZINC000025187852	HJ	Annotated	Anodyne	
C[C@@H]1c2nc(NC(=O)C3CCCC3)sc2C[C@]2(C)CC[C@@H]3[C@@H](C)C(=O)O[C@H]3[C@@H]12	ZINC000025187858	HJ	Annotated	Anodyne	
C[C@@H]1c2nc(NC(=O)C3CCCC3)sc2C[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12	ZINC000025187863	HJ	Annotated	Anodyne	
COc1ccc(Br)cc1[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2CCCN21	ZINC000250397309	HJ	Annotated	Anodyne	 
COc1cccc([C@@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]3CCCN32)c1OC	ZINC000250408654	HJ	Annotated	Anodyne	 
CCOc1cc2nc(=S)n(CCN3CCCC[C@@H]3CC)c(O)c2cc1OCC	ZINC000253530867	HJ	Annotated	Anodyne	 
CCOc1cc2nc(=S)n(CCN3CCCC[C@H]3CC)c(O)c2cc1OCC	ZINC000253530868	HJ	Annotated	Anodyne	 
CC(C)CCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000253633238	HJ	Annotated	Mild	 
CC(C)CCOC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000253633240	HJ	Annotated	Mild	 
CC(C)CCOC[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000253633242	HJ	Annotated	Mild	 
CC(C)CCOC[C@]12C[C@@H]3[C@@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000253633244	HJ	Annotated	Mild	 
COc1ccc(/C=C2/C(=O)N(C)c3ccc([N+](=O)[O-])cc32)cc1O[C@@H]1C[C@H]2CC[C@H]1C2	ZINC000253633272	HJ	Annotated	Bother	 
COc1ccc(/C=C2/C(=O)N(C)c3ccc([N+](=O)[O-])cc32)cc1O[C@H]1C[C@H]2CC[C@H]1C2	ZINC000253633274	HJ	Annotated	Bother	 
C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)C/C(OC(C)=O)=C(\CCO)COC(C)=O	ZINC000253634025	HJ	Annotated	Mild	 
C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)C/C(OC(C)=O)=C(\CCO)COC(C)=O	ZINC000253634026	HJ	Annotated	Mild	 
C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)C/C(OC(C)=O)=C(/CO)CCOC(C)=O	ZINC000253634449	HJ	Annotated	Mild	 
C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)C/C(OC(C)=O)=C(/CO)CCOC(C)=O	ZINC000253634452	HJ	Annotated	Mild	 
CC(C)CC[C@@H](O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000253638171	HJ	Annotated	Mild	 
CC(C)CC[C@H](O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000253638175	HJ	Annotated	Mild	 
CC(C)CCC(=O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O	ZINC000253638465	HJ	Annotated	Mild	 
CC[N@@+]1(C)CC[C@@](O)(/C=C/c2ccc(C)cc2)[C@H](C(=O)/C=C/c2ccc(C)cc2)C1	ZINC000253639316	HJ	Annotated	Mild	 
CC[N@+]1(C)CC[C@@](O)(/C=C/c2ccc(C)cc2)[C@H](C(=O)/C=C/c2ccc(C)cc2)C1	ZINC000253639321	HJ	Annotated	Mild	 
Oc1nc(Nc2ccccc2)nc2c1ncn2CCCCN1CCC[C@H]2CCCC[C@H]21	ZINC000253652171	HJ	Annotated	Anodyne	 
C[C@@H]1c2nc(NC(=O)C3CCCC3)sc2C[C@@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12	ZINC000253656819	HJ	Annotated	Anodyne	 
C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)C4CCCC4)nc3[C@@H](C)[C@@H]21	ZINC000253656821	HJ	Annotated	Anodyne	 
C[C@@H]1C(=O)O[C@H]2[C@H]3[C@@H](C)c4nc(NC(=O)C5CCCC5)sc4C[C@@]3(C)CC[C@H]12	ZINC000253656823	HJ	Annotated	Anodyne	 
C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)C4CCCC4)nc3[C@H](C)[C@@H]21	ZINC000253656825	HJ	Annotated	Anodyne	 
COC(=O)[C@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(C#N)cc2)cc1)C3	ZINC000253664516	HJ	Annotated	Mild	 
COC(=O)[C@@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccc(C#N)cc2)cc1)C3	ZINC000253664518	HJ	Annotated	Mild	 
CC[C@H]1C[C@]2(C[C@@H](CC)N1)C(=O)N(CCCc1ccccc1)C(=O)N2c1ccccc1	ZINC000253664610	HJ	Annotated	Anodyne	 
CC[C@H]1C[C@@]2(C[C@@H](CC)N1)C(=O)N(CCCc1ccccc1)C(=O)N2c1ccccc1	ZINC000253664613	HJ	Annotated	Anodyne	 
C=C(C)CCC[C@]1(C)C2=C(CC[C@H]1C)[C@@]1(C)CC[C@H]2[C@@](O)(C2=CC(=O)O[C@H]2O)C1	ZINC000253668225	HJ	Annotated	Mild	 
CCCN1N=C2/C(=C/c3ccccc3C)CS(=O)(=O)C[C@@H]2[C@H]1c1ccccc1C	ZINC000253673114	HJ	Annotated	Anodyne	 
CN(C)[C@@]12CCN(CCN3CCCC3)[C@@H]([C@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2	ZINC000253673171	HJ	Annotated	Anodyne	 
CCCN1N=C2/C(=C/c3ccc(C)cc3)CS(=O)(=O)C[C@@H]2[C@H]1c1ccc(C)cc1	ZINC000253674273	HJ	Annotated	Anodyne	 
O=S(=O)(Oc1ccccc1)[C@@H]1C[C@H]2O[C@H]1C(c1ccccc1)=C2c1ccccc1	ZINC000253678164	HJ	Annotated	Anodyne	 
O=S(=O)(Oc1ccccc1)[C@H]1C[C@H]2O[C@H]1C(c1ccccc1)=C2c1ccccc1	ZINC000253678176	HJ	Annotated	Anodyne	 
CC[C@@H]1CC[C@H]2c3c(O)nc(-c4cc(OC)c(OC)c(OC)c4)nc3S[C@H]2C1	ZINC000253681432	HJ	Annotated	Anodyne	 
O[C@H](c1ccccc1)[C@@H]1CN(CC[C@@H]2C[C@H]3CC[C@H]2C3)CC[C@]1(O)c1ccccc1	ZINC000253683135	HJ	Annotated	Anodyne	 
O[C@H](c1ccccc1)[C@@H]1CN(CC[C@H]2C[C@H]3CC[C@H]2C3)CC[C@]1(O)c1ccccc1	ZINC000253683146	HJ	Annotated	Anodyne	 
O[C@H](c1ccccc1)[C@@H]1CN(CC[C@H]2C[C@H]3CC[C@H]2C3)CC[C@@]1(O)c1ccccc1	ZINC000253683151	HJ	Annotated	Anodyne	 
O[C@H](c1ccccc1)[C@@H]1CN(CC[C@@H]2C[C@H]3CC[C@H]2C3)CC[C@@]1(O)c1ccccc1	ZINC000253683160	HJ	Annotated	Anodyne	 
COc1ccc(C(=O)[C@@H]2C[C@@H]2CN(C)CC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000253683649	HJ	Annotated	Anodyne	 
COc1ccc(C(=O)[C@@H]2C[C@H]2CN(C)CC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000253683655	HJ	Annotated	Anodyne	 
CC1(C)O[C@H]2[C@H](O1)[C@H](n1c(Cl)nc3cc(Cl)c(Cl)cc31)O[C@H]2CCl	ZINC000253684012	HJ	Annotated	Reactive	 
CC1(C)O[C@H]2[C@H](O1)[C@H](CCl)O[C@@H]2n1c(Cl)nc2cc(Cl)c(Cl)cc21	ZINC000253684015	HJ	Annotated	Reactive	 
C[C@]12CCC(=O)C(Cl)=C1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1[C@H]1C[C@H]1[C@@]21CCC(=O)O1	ZINC000253691848	HJ	Annotated	Mild	 
C[C@]12CCC(=O)C(Cl)=C1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1[C@H]1C[C@@H]1[C@@]21CCC(=O)O1	ZINC000253691855	HJ	Annotated	Mild	 
C[C@]12CCC(=O)C(Cl)=C1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1[C@@H]1C[C@H]1[C@@]21CCC(=O)O1	ZINC000253691867	HJ	Annotated	Mild	 
COc1ccccc1N(C(=O)c1ccco1)[C@@H]1CCN(CCc2cccs2)C[C@H]1C	ZINC000253695502	HJ	Annotated	Anodyne	 
CC1(C)O[C@H]2[C@H](O1)[C@H](CN=[N+]=[N-])O[C@H]2n1c(Cl)nc2cc(Cl)c(Cl)cc21	ZINC000253712406	HJ	Annotated	Clean	 
CC1(C)O[C@@H]2[C@@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)O[C@@H](CN=[N+]=[N-])[C@H]2O1	ZINC000253712410	HJ	Annotated	Clean	 
COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)C[N@@+]1([O-])CCC[C@@H]1C3	ZINC000253723947	HJ	Annotated	Bother	 
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@H]2[S@@](=O)Cc1ccccc1	ZINC000253740255	HJ	Annotated	Mild	 
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2[S@@](=O)Cc1ccccc1	ZINC000253740262	HJ	Annotated	Mild	 
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@H]2[S@](=O)Cc1ccccc1	ZINC000253740269	HJ	Annotated	Mild	 
CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@H]5[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000253740312	HJ	Annotated	Mild	 
CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@H]5[C@]4(C)[C@H]3CC[C@@]21C	ZINC000253740324	HJ	Annotated	Mild	 
OC1=NC[C@@H]2[C@H](C=NN2Cc2ccccc2)[C@H](c2ccc(Br)cc2)S1	ZINC000253783230	HJ	Annotated	Anodyne	 
OC1=NC[C@@H]2[C@@H](C=NN2Cc2ccccc2)[C@H](c2ccc(Br)cc2)S1	ZINC000253783237	HJ	Annotated	Anodyne	 
CCCC[C@@H]1CN=C2N(CC[C@@H]3C[C@H]4CC[C@H]3C4)[C@H](Cc3ccc(OC)cc3)CN21	ZINC000253805248	HJ	Annotated	Anodyne	 
CCCC[C@@H]1CN=C2N(CC[C@H]3C[C@H]4CC[C@H]3C4)[C@H](Cc3ccc(OC)cc3)CN21	ZINC000253805252	HJ	Annotated	Anodyne	 
CS[C@H]1CC(=O)C=C2[C@@H]3C[C@@H]3[C@@H]3[C@H](CC[C@]4(C)[C@@H]3[C@@H]3C[C@@H]3[C@@]43CCC(=O)O3)[C@@]21C	ZINC000253849477	HJ	Annotated	Mild	 
CS[C@H]1CC(=O)C=C2[C@@H]3C[C@@H]3[C@@H]3[C@H](CC[C@]4(C)[C@@H]3[C@@H]3C[C@H]3[C@@]43CCC(=O)O3)[C@]21C	ZINC000253849482	HJ	Annotated	Mild	 
CS[C@H]1CC(=O)C=C2[C@@H]3C[C@@H]3[C@@H]3[C@H](CC[C@]4(C)[C@@H]3[C@@H]3C[C@@H]3[C@@]43CCC(=O)O3)[C@]21C	ZINC000253849485	HJ	Annotated	Mild	 
CS[C@H]1CC(=O)C=C2[C@@H]3C[C@@H]3[C@@H]3[C@H](CC[C@]4(C)[C@@H]3[C@@H]3C[C@H]3[C@@]43CCC(=O)O3)[C@@]21C	ZINC000253849489	HJ	Annotated	Mild	 
CCCCCCN1C[C@H](n2cc(C3CC3)nn2)[C@H](O)C[C@H]1c1ccc(Cl)cc1	ZINC000253855536	HJ	Annotated	Anodyne	 
COc1ccc([C@H]2C[C@]3(N4CCCCC4)C[C@H](O)[C@@H]2[C@H](c2ccc(OC)cc2)C3)cc1	ZINC000253884012	HJ	Annotated	Anodyne	 
COc1ccc([C@H]2C[C@]3(N4CCCCC4)C[C@@H](O)[C@@H]2[C@H](c2ccc(OC)cc2)C3)cc1	ZINC000253884013	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@@H]2C(=O)O[C@@H](Cc3ccccc3)CN2[C@H]1c1ccc(Br)cc1	ZINC000253915664	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@@H]2C(=O)O[C@H](Cc3ccccc3)CN2[C@H]1c1ccc(Br)cc1	ZINC000253915667	HJ	Annotated	Anodyne	 
Nc1nn2c(-c3ccccc3)cc(O)nc2c1N=Nc1ccc(Br)cc1	ZINC000253928558	HJ	Annotated	Clean	 
O=C(Cn1c(O)c(N=NC(=O)c2ccccc2O)c2ccccc21)Nc1ccccc1	ZINC000253951048	HJ	Annotated	Clean	 
COc1ccc2cc(-c3ccc([C@]4(O)CN(C)[C@@H]5CCCC[C@H]5O4)cc3)ccc2c1	ZINC000253951192	HJ	Annotated	Anodyne	 
COc1ccc2cc(-c3ccc([C@]4(O)CN(C)[C@H]5CCCC[C@H]5O4)cc3)ccc2c1	ZINC000253951195	HJ	Annotated	Anodyne	 
CCn1c(O)c(N=NC(=O)c2ccc(CSc3nncn3C)cc2)c2ccccc21	ZINC000253951841	HJ	Annotated	Clean	 
Cc1cccc(C)c1OCC(=O)N=Nc1c(O)[nH]c2ccc(Br)cc12	ZINC000253961042	HJ	Annotated	Clean	 
CC(C)n1c(O)c(N=NC(=O)CNC(=O)Cc2ccc(Cl)cc2)c2ccccc21	ZINC000253961089	HJ	Annotated	Clean	 
Cn1c(O)c(N=NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21	ZINC000253977411	HJ	Annotated	Clean	 
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)N(C)c2ccccc2)cc1	ZINC000253978852	HJ	Annotated	Clean	 
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)N2CCCCCC2)cc1	ZINC000253979194	HJ	Annotated	Clean	 
CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]21C	ZINC000253987415	HJ	Annotated	Mild	 
O=C(N=Nc1c(O)n([C@@H]2OC(=O)c3ccccc32)c2ccccc12)c1ccc(O)cc1	ZINC000253988948	HJ	Annotated	Clean	 
O=C(N=Nc1c(O)n([C@H]2OC(=O)c3ccccc32)c2ccccc12)c1ccc(O)cc1	ZINC000253988969	HJ	Annotated	Clean	 
CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@H]5[C@@]4(C)[C@H]3CC[C@]21C	ZINC000253989114	HJ	Annotated	Mild	 
CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@@]4(C)[C@H]3CC[C@]21C	ZINC000253989116	HJ	Annotated	Mild	 
CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@H]5[C@@]4(C)[C@@H]3CC[C@]21C	ZINC000253989117	HJ	Annotated	Mild	 
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC(=O)[C@]4(C)[C@H]5C(=O)C=C(C)C[C@@H]5C[C@@H]4[C@@H]3CC[C@@H]2C1	ZINC000254003344	HJ	Annotated	Mild	 
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC(=O)[C@]4(C)[C@H]5C(=O)C=C(C)C[C@H]5C[C@@H]4[C@@H]3CC[C@@H]2C1	ZINC000254003349	HJ	Annotated	Mild	 
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC(=O)[C@]4(C)[C@@H]5C(=O)C=C(C)C[C@@H]5C[C@@H]4[C@@H]3CC[C@@H]2C1	ZINC000254003352	HJ	Annotated	Mild	 
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC(=O)[C@@]4(C)[C@H](C[C@@H]5CC(C)=CC(=O)[C@H]54)[C@@H]3CC[C@@H]2C1	ZINC000254003356	HJ	Annotated	Mild	 
C[C@@H]1C=CCC(=O)N2[C@H](CC(=O)N[C@@H]1c1ccccc1)C[C@@H](C)[C@@H]2c1ccccc1	ZINC000254043342	HJ	Annotated	Anodyne	 
C[C@@H]1C=CCC(=O)N2[C@H](CC(=O)N[C@@H]1c1ccccc1)C[C@@H](C)[C@H]2c1ccccc1	ZINC000254043345	HJ	Annotated	Anodyne	 
C[C@H]1C[C@H]2CC(=O)N[C@H](c3ccccc3)[C@H](C)C=CCC(=O)N2[C@@H]1c1ccccc1	ZINC000254043349	HJ	Annotated	Anodyne	 
C[C@H]1C[C@H]2CC(=O)N[C@H](c3ccccc3)[C@H](C)C=CCC(=O)N2[C@H]1c1ccccc1	ZINC000254043352	HJ	Annotated	Anodyne	 
CC(C)CCn1c(O)c(N=NC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21	ZINC000254047449	HJ	Annotated	Clean	 
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H]1O[C@H]2[C@H](C)[C@H]1C	ZINC000254079154	HJ	Annotated	Anodyne	 
C[C@]1(C(=O)Nc2ccc3cc4ccccc4cc3c2)C[C@@]2(C)C[C@@](C)(C1)[C@H](O)NC2=O	ZINC000254079769	HJ	Annotated	Bother	 
C[C@]1(C(=O)Nc2ccc3cc4ccccc4cc3c2)C[C@@]2(C)C[C@@](C)(C1)[C@@H](O)NC2=O	ZINC000254079780	HJ	Annotated	Bother	 
CC(C)N(CC[C@](CCN1[C@H](C)CCC[C@H]1C)(C(N)=O)c1ccccc1F)C(C)C	ZINC000254088609	HJ	Annotated	Anodyne	 
CCc1c(N[C@@H]2CC[C@@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1	ZINC000254092528	HJ	Annotated	Anodyne	 
CCCc1c(N[C@@H]2CC[C@@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1	ZINC000254094428	HJ	Annotated	Anodyne	 
COc1cccc([C@H](C)N(C)CCCNC(=O)CCCC[C@H]2CCSS2)c1	ZINC000254101195	HJ	Annotated	Reactive	 
COc1cccc([C@@H](C)N(C)CCCNC(=O)CCCC[C@H]2CCSS2)c1	ZINC000254101197	HJ	Annotated	Reactive	 
CC(C)N1C[C@H](OC(=O)c2ccccc2-c2ccccc2)[C@H]2C[C@H]1[C@@H]1OC(C)(C)O[C@@H]12	ZINC000254114637	HJ	Annotated	Anodyne	 
CC(C)N1C[C@H](OC(=O)c2ccccc2-c2ccccc2)[C@H]2C[C@H]1[C@@H]1OC(C)(C)O[C@H]12	ZINC000254114641	HJ	Annotated	Anodyne	 
CC(C)N1C[C@H](OC(=O)c2ccccc2-c2ccccc2)[C@H]2C[C@H]1[C@H]1OC(C)(C)O[C@H]12	ZINC000254114643	HJ	Annotated	Anodyne	 
CC(C)N1C[C@H](OC(=O)c2ccccc2-c2ccccc2)[C@H]2C[C@H]1[C@H]1OC(C)(C)O[C@@H]12	ZINC000254114647	HJ	Annotated	Anodyne	 
C[C@@H]1C=CCC(=O)N[C@@H](c2ccccc2)[C@H](C)C=CCC(=O)N[C@@H]1c1ccccc1	ZINC000254119964	HJ	Annotated	Anodyne	 
C[C@@H]1C=CCC(=O)N[C@H](c2ccccc2)[C@H](C)C=CCC(=O)N[C@@H]1c1ccccc1	ZINC000254119969	HJ	Annotated	Anodyne	 
C[C@H]1C=CCC(=O)N[C@H](c2ccccc2)[C@H](C)C=CCC(=O)N[C@@H]1c1ccccc1	ZINC000254119972	HJ	Annotated	Anodyne	 
C[C@H]1C=CCC(=O)N[C@@H](c2ccccc2)[C@H](C)C=CCC(=O)N[C@@H]1c1ccccc1	ZINC000254119976	HJ	Annotated	Anodyne	 
CN(Cc1cn([C@H]2CCCC[C@H]2OC(=O)Cc2ccccc2)nn1)CC1CCCCC1	ZINC000254120030	HJ	Annotated	Anodyne	 
c1ccc(COC[C@@H]2O[C@@H]3c4ccccc4CO[C@@H]3[C@@H]2OCc2ccccc2)cc1	ZINC000254129166	HJ	Annotated	Anodyne	 
c1ccc(COC[C@@H]2O[C@@H]3c4ccccc4CO[C@@H]3[C@H]2OCc2ccccc2)cc1	ZINC000254129170	HJ	Annotated	Anodyne	 
CN(Cc1cn([C@H]2CCCC[C@H]2OC(=O)c2ccccc2)nn1)CC1CCCCC1	ZINC000254194386	HJ	Annotated	Anodyne	 
COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@H]4[C@H](CCC[C@H]4C)[C@@H]3C2=O)cc1	ZINC000254216511	HJ	Annotated	Anodyne	 
COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4[C@H](C)CCC[C@H]4[C@@H]3C2=O)cc1	ZINC000254216512	HJ	Annotated	Anodyne	 
Cc1ccc(S(=O)(=O)c2cc3ccccc3oc2=Nc2ccc3c(c2)OCO3)cc1	ZINC000254403114	HJ	Annotated	Anodyne	aggregator
COc1ccc(C=Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)c(O)c1	ZINC000254492520	HJ	Annotated	Mild	aggregator
CNc1nc(NN=Cc2ccccc2Cl)nc(Nc2cccc(C(F)(F)F)c2)n1	ZINC000254499094	HJ	Annotated	Mild	 
CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(C)cc1	ZINC000254508766	HJ	Annotated	Mild	 
O=C1[C@H](Cc2cccc([N+](=O)[O-])c2)SC(=Nc2ccccc2)N1c1ccccc1	ZINC000254838488	HJ	Annotated	Mild	 
O=C1[C@@H](Cc2cccc([N+](=O)[O-])c2)SC(=Nc2ccccc2)N1c1ccccc1	ZINC000254838490	HJ	Annotated	Mild	 
CC(=NNC(=O)CNc1cccc2ccccc12)c1ccc(Br)s1	ZINC000254846559	HJ	Annotated	Reactive	aggregator
Sc1nnc(-c2[nH]nc3c2CCC3)n1N=Cc1c2ccccc2cc2ccccc12	ZINC000254877556	HJ	Annotated	Mild	 
COC(=O)C(C)(C)CCCOc1ccc(C)c(OCCCC(C)(C)C(=O)OC)c1	ZINC000025979979	HJ	Annotated	Anodyne	
COC(=O)C(C)(C)CCCOc1cc(C)cc(OCCCC(C)(C)C(=O)OC)c1	ZINC000025980267	HJ	Annotated	Anodyne	
CC[C@@H](c1ccc(O)cc1)[C@H](CCCCn1cc(C(=O)O)c(O)n1)c1ccc(O)cc1	ZINC000025997193	HJ	Annotated	Anodyne	
C[C@H]1C[C@H](C)[C@H]2C[C@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255197523	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5CC[C@@]6(O)C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255204643	HJ	Annotated	Anodyne	 
CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3C[C@H](OC(C)=O)[C@H]2C1	ZINC000255204672	HJ	Annotated	Anodyne	 
CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H](C(C)=O)CC[C@@H]4[C@H]3C[C@H](OC(C)=O)[C@H]2C1	ZINC000255204673	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4C5=C(C[C@H]4[C@H]3CN2C1)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@H](O)C5	ZINC000255213319	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4C5=C(C[C@H]4[C@@H]3CN2C1)[C@@]1(C)CC[C@@H](O)C[C@@H]1[C@H](O)C5	ZINC000255213320	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@H]2[C@H](C)[C@H]3C[C@@H](O)C4=C5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255213827	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3C[C@@H](O)C4=C5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@@H]4[C@H]3CN2C1	ZINC000255213828	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CCC4=C5CC[C@@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5[C@@H](O)[C@@H]4[C@H]3CN2C1	ZINC000255218350	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@H]2[C@H](C)[C@H]3CCC4=C5C[C@@H](O)[C@H]6CC(=O)CC[C@]6(C)[C@@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255219538	HJ	Annotated	Anodyne	 
CN[C@@H]1CC[C@]23C[C@@]24C=C[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@H]4CC[C@H]3C1(C)C	ZINC000255221571	HJ	Annotated	Anodyne	 
CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000255221903	HJ	Annotated	Anodyne	 
C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C	ZINC000255222454	HJ	Annotated	Anodyne	 
C[C@@H]1CC(=O)O[C@@]12CC[C@@]1(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(CO)[C@H]1CC3	ZINC000255225778	HJ	Annotated	Anodyne	 
C[C@@H]1CC(=O)O[C@@]12CC[C@@]1(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(CO)[C@@H]1CC3	ZINC000255225779	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CCC4=C5CC[C@H]6C[C@@H](O)C[C@H](O)[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255226086	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CCC4=C5CC[C@H]6C[C@@H](O)C[C@H](O)[C@]6(C)[C@H]5C[C@@H]4[C@H]3CN2C1	ZINC000255226088	HJ	Annotated	Anodyne	 
CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@H]3C=C[C@@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C	ZINC000255227887	HJ	Annotated	Anodyne	 
CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C	ZINC000255227888	HJ	Annotated	Anodyne	 
CC1(C)C(=O)CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@]1(C)C3=CC[C@@H]([C@@H]4COC(=O)C4)[C@]3(C)CC[C@H]21	ZINC000255230894	HJ	Annotated	Anodyne	 
CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC(=O)[C@@]1(C)C3=CC[C@@H]([C@@H]4COC(=O)C4)[C@]3(C)CC[C@H]21	ZINC000255231344	HJ	Annotated	Anodyne	 
CC(=O)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O	ZINC000255236762	HJ	Annotated	Mild	 
C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H]3[C@@H]2CN2C[C@H](C)CC[C@@H]12	ZINC000255238600	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@H]2[C@@H](C)[C@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255238606	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255238612	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255238618	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@H]2[C@@H](C)[C@H]3CC[C@@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255238622	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@H](C[C@H]5[C@@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1	ZINC000255238627	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@@H]2[C@H](C)[C@H]3CC[C@H]4[C@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@H]3CN2C1	ZINC000255238632	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@@H]4C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1	ZINC000255243728	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255243883	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255243885	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255243888	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H](C[C@H]5[C@@H]4C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1	ZINC000255243889	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@@H]4[C@H]3CN2C1	ZINC000255243891	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255243893	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255243895	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255243897	HJ	Annotated	Anodyne	 
C[C@H]1[C@@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H]3[C@@H]2CN2C[C@H](C)CC[C@H]12	ZINC000255243898	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255243899	HJ	Annotated	Anodyne	 
C[C@@]12C=CC(=O)[C@@]3(C)C4=CC[C@@]5(C)C(=CC[C@@H]5c5ccoc5)[C@@]4(C)[C@@H](O)[C@@H](OC1)[C@H]23	ZINC000255256903	HJ	Annotated	Mild	 
C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4C5=C([C@@H](O)[C@H]4[C@H]3CN2C1)[C@@]1(C)CC[C@@H](O)C[C@@H]1CC5	ZINC000255262536	HJ	Annotated	Anodyne	 
C[C@@H]1C[C@@H](O)[C@@H]2[C@H](C)[C@@H]3[C@@H](C[C@H]4[C@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@@H]5CC[C@@]43C)N2C1	ZINC000255263375	HJ	Annotated	Anodyne	 
C[C@H]1C[C@H](O)[C@@H]2[C@H](C)[C@H]3[C@H](C[C@@H]4[C@H]5CC[C@@H]6C[C@H](N)CC[C@]6(C)[C@@H]5CC[C@@]43C)N2C1	ZINC000255263376	HJ	Annotated	Anodyne	 
C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@H](N)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1	ZINC000255263377	HJ	Annotated	Anodyne	 
C[C@H]1C[C@@H](O)[C@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1	ZINC000255263378	HJ	Annotated	Anodyne	 
C[C@H]1C[C@H](O)[C@@H]2[C@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1	ZINC000255263379	HJ	Annotated	Anodyne	 
C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4C=C[C@H]13	ZINC000255269518	HJ	Annotated	Anodyne	 
C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4C=C[C@@H]13	ZINC000255269519	HJ	Annotated	Anodyne	 
C[C@H]1C[C@@H]2O[C@@]23[C@@H](C)[C@H]2[C@H](C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@@]42C)N3C1	ZINC000255271318	HJ	Annotated	Mild	 
CCN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC[C@H]4[C@H](C)[C@@H](NCC)CC[C@@]45C[C@@]35CC[C@]12C	ZINC000255271385	HJ	Annotated	Anodyne	 
CC1(C)C(=O)C(O)=C[C@]2(C)C1=CC(=O)[C@@]1(C)C3=CC[C@@](O)(c4ccoc4)[C@]3(C)CC[C@H]21	ZINC000255271554	HJ	Annotated	Mild	 
CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C	ZINC000255272145	HJ	Annotated	Anodyne	 
C[C@H]1C[C@H]2O[C@]23[C@@H](C)[C@H]2[C@H](C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@@]6(C)C5=CC[C@@]42C)N3C1	ZINC000255277224	HJ	Annotated	Mild	 
C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4C5=C(C[C@H]4[C@@H]3CN2C1)[C@@]1(C)CC[C@H](O)C[C@@H]1C(=O)C5	ZINC000255278108	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@H]2[C@H](C)[C@H]3CCC4=C5C[C@@H](O)[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255281546	HJ	Annotated	Anodyne	 
C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@H]4CC[C@@H]13	ZINC000255284077	HJ	Annotated	Anodyne	 
C[C@H]1C[C@H](C)[C@H]2C[C@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255284534	HJ	Annotated	Anodyne	 
CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](N(C)C)CC[C@@]45C[C@@]35C=C[C@]12C	ZINC000255284797	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6CC(=O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255286713	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6CC(=O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000255286714	HJ	Annotated	Anodyne	 
CC1(C)C(=O)C=C[C@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@@]321	ZINC000256315236	HJ	Annotated	Mild	in-vitro
CC1(C)C(=O)C=C[C@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)C[C@@H]3O[C@]321	ZINC000256315240	HJ	Annotated	Mild	in-vitro
CC1(C)C(=O)C=C[C@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]321	ZINC000256315244	HJ	Annotated	Mild	in-vitro
CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@H](/C=C/C3=CC(=O)O[C@@H]3O)[C@@](C)(O)CC[C@@H]12	ZINC000257397771	HJ	Annotated	Anodyne	 
CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@](C)(O)[C@@H](/C=C/C4=CC(=O)O[C@@H]4O)[C@@]3(C)CC[C@H]12	ZINC000257397772	HJ	Annotated	Anodyne	 
CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@H](/C=C/C3=CC(=O)O[C@@H]3O)[C@](C)(O)CC[C@@H]12	ZINC000257397773	HJ	Annotated	Anodyne	 
CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@](C)(O)[C@@H](/C=C/C4=CC(=O)O[C@@H]4O)[C@@]3(C)CC[C@H]12	ZINC000257397774	HJ	Annotated	Anodyne	 
COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)C[C@H]1CCC[N@+]1([O-])C3	ZINC000257407204	HJ	Annotated	Bother	
CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@](C)(CCC=C(C)C)[C@@H]1/C=C/OC(=O)C=C(C)C	ZINC000257420075	HJ	Annotated	Mild	
C=C[C@](C)(O)CCC1=C(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]12C	ZINC000257459027	HJ	Annotated	Mild	
C=C[C@](C)(O)CCC1=C(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]12C	ZINC000257459028	HJ	Annotated	Mild	
C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4CC(=O)[C@@H]4C[C@H](O)CC[C@]45C)[C@@H]3CN2C1	ZINC000257488148	HJ	Annotated	Anodyne	
C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4CC(=O)[C@@H]4C[C@H](O)CC[C@]45C)[C@H]3CN2C1	ZINC000257488149	HJ	Annotated	Anodyne	
C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4CC(=O)[C@@H]4C[C@H](O)CC[C@@]45C)[C@H]3CN2C1	ZINC000257488150	HJ	Annotated	Anodyne	
C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4CC(=O)[C@@H]4C[C@H](O)CC[C@@]45C)[C@@H]3CN2C1	ZINC000257488151	HJ	Annotated	Anodyne	
CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2C(=O)OC(C)C)c1C	ZINC000026002083	HJ	Annotated	Anodyne	
CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2C(=O)OC(C)C)c1C	ZINC000026002092	HJ	Annotated	Anodyne	
CCC1(CC)C(=O)N(COC(=O)c2ccccc2)[C@@H]1Sc1nc2ccccc2o1	ZINC000026013872	HJ	Annotated	Anodyne	
CCC1(CC)C(=O)N(COC(=O)c2ccccc2)[C@H]1Sc1nc2ccccc2o1	ZINC000026013879	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1O[C@H]2O[C@H](OC(C)=O)[C@@H](CC/C=C(\C)CCC=C(C)C)[C@H]3CC[C@@H]1[C@@H]23	ZINC000026022604	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1O[C@H]2O[C@@H](OC(C)=O)[C@H](CC/C=C(\C)CCC=C(C)C)[C@H]3CC[C@@H]1[C@@H]23	ZINC000026023788	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1O[C@H]2O[C@H](OC(C)=O)[C@H](CC/C=C(\C)CCC=C(C)C)[C@H]3CC[C@@H]1[C@@H]23	ZINC000026026705	HJ	Annotated	Anodyne	
COc1ccc(/C=C2/C(=O)N(C)c3ccc([N+](=O)[O-])cc32)cc1O[C@@H]1C[C@H]2CC[C@@H]1C2	ZINC000026143384	HJ	Annotated	Bother	
COc1ccc(/C=C2/C(=O)N(C)c3ccc([N+](=O)[O-])cc32)cc1O[C@H]1C[C@H]2CC[C@@H]1C2	ZINC000026143390	HJ	Annotated	Bother	
O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/OCc3ccc4ccccc4c3)[C@H]2C1	ZINC000026158291	HJ	Annotated	Mild	
Cc1cc(-c2csc(CC(=O)NCc3ccco3)n2)c(C)n1-c1ccccc1F	ZINC000026158988	HJ	Annotated	Anodyne	 
CCCC(=O)c1ccc2[nH]c(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3ccccc35)cc2c1	ZINC000026160337	HJ	Annotated	Mild	
CCOC(=O)c1csc(/N=C(\Nc2cc(C)nc3ccccc23)NC(C)(C)C)n1	ZINC000026166597	HJ	Annotated	Mild	
COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccc(C#N)cc2)cc1)C3	ZINC000026166928	HJ	Annotated	Mild	
O=C(O)CCC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/OCc3ccc4ccccc4c3)[C@H]2C1	ZINC000026173402	HJ	Annotated	Mild	
COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@H](c1cc(C)cc(C)c1)O2	ZINC000026174783	HJ	Annotated	Anodyne	
COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@@H](c1cc(C)cc(C)c1)O2	ZINC000026174787	HJ	Annotated	Anodyne	
COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@H](c1cccc(Cl)c1)O2	ZINC000026175440	HJ	Annotated	Anodyne	
COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@@H](c1cccc(Cl)c1)O2	ZINC000026175446	HJ	Annotated	Anodyne	
CCCN(c1nccc(-c2c(OC)cc(OC)cc2OC)n1)C1(c2ccoc2)CC1	ZINC000026176366	HJ	Annotated	Anodyne	
CS(=O)(=O)Nc1ccc2c(c1)[C@@H](c1ccccc1)Oc1cccc(OC(F)F)c1-2	ZINC000026176652	HJ	Annotated	Anodyne	
CS(=O)(=O)Nc1ccc2c(c1)[C@H](c1ccccc1)Oc1cccc(OC(F)F)c1-2	ZINC000026176656	HJ	Annotated	Anodyne	
C[C@@H](C(=O)CN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ncco1	ZINC000026181651	HJ	Annotated	Anodyne	
C[C@H](C(=O)CN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ncco1	ZINC000026181656	HJ	Annotated	Anodyne	
CC(C)c1nn(-c2ccccc2)c(-c2ccc(F)cc2)c1CC[C@@H]1C[C@@H](O)CC(=O)O1	ZINC000026188984	HJ	Annotated	Anodyne	
CC(C)c1nn(-c2ccccc2)c(-c2ccc(F)cc2)c1CC[C@H]1C[C@@H](O)CC(=O)O1	ZINC000026188988	HJ	Annotated	Anodyne	
CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CO)CC1	ZINC000026269536	HJ	Annotated	Anodyne	
CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CO)CC1	ZINC000026269542	HJ	Annotated	Anodyne	
CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CO)CC1	ZINC000026269547	HJ	Annotated	Anodyne	
CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CO)CC1	ZINC000026269552	HJ	Annotated	Anodyne	
CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CN)CC1	ZINC000026269558	HJ	Annotated	Anodyne	
CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CN)CC1	ZINC000026269564	HJ	Annotated	Anodyne	
CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CN)CC1	ZINC000026269568	HJ	Annotated	Anodyne	
CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CN)CC1	ZINC000026269574	HJ	Annotated	Anodyne	
Cc1ccc(C(=O)NC[C@H]2CN=C(c3ccc(F)cc3)c3ccc(C)cc3N2C)cc1	ZINC000026274681	HJ	Annotated	Anodyne	
Cc1ccc(C(=O)NC[C@@H]2CN=C(c3ccc(F)cc3)c3ccc(C)cc3N2C)cc1	ZINC000026280045	HJ	Annotated	Anodyne	
CN1C[C@@H](CCN(Cc2ccccc2)Cc2ccccc2)Oc2ncccc2C1=S	ZINC000026281565	HJ	Annotated	Anodyne	
CN1C[C@H](CCN(Cc2ccccc2)Cc2ccccc2)Oc2ncccc2C1=S	ZINC000026281569	HJ	Annotated	Anodyne	
N=C(Cc1c(Cl)cccc1Cl)NC(=S)NCCc1ccc(Cl)cc1	ZINC000026286339	HJ	Annotated	Anodyne	
CCN(CC)C1=NS(=O)(=O)C(SC2CCCCC2)=C1c1ccc(OC)cc1	ZINC000026288858	HJ	Annotated	Anodyne	
CC(C)(C)C(=O)n1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21	ZINC000026379912	HJ	Annotated	Anodyne	
CCCc1nc(-c2ncn3c2CN=C(c2ccccc2Cl)c2ccccc2-3)no1	ZINC000026380630	HJ	Annotated	Anodyne	
CCCc1noc(-c2ncn3c2CN=C(c2ccccc2)c2c(Cl)cccc2-3)n1	ZINC000026380959	HJ	Annotated	Anodyne	
CCCCC(=O)n1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21	ZINC000026382111	HJ	Annotated	Anodyne	
O=C(O)C1(c2ccc3c(c2)OC[C@H](Cc2ccc(C(F)(F)F)cc2)[C@H]3O)CCCC1	ZINC000026386246	HJ	Annotated	Anodyne	
CCCc1nc(-c2ncn3c2CN=C(c2ccccc2)c2c(Cl)cccc2-3)no1	ZINC000026388808	HJ	Annotated	Anodyne	
CC(C)=CCn1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21	ZINC000026389404	HJ	Annotated	Anodyne	
Nc1cccc(Cl)c1Oc1ccccc1CC(=O)O[C@@H]1OC(=O)c2ccccc21	ZINC000026389949	HJ	Annotated	Anodyne	
Nc1cccc(Cl)c1Oc1ccccc1CC(=O)O[C@H]1OC(=O)c2ccccc21	ZINC000026389953	HJ	Annotated	Anodyne	
CC(C)CCn1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21	ZINC000026390214	HJ	Annotated	Anodyne	
CC(C)CC(=O)n1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21	ZINC000026390723	HJ	Annotated	Anodyne	
c1ccc(CN(Cc2ccco2)[C@@H](c2ccncc2)c2nnnn2C2CCCC2)cc1	ZINC000026439056	HJ	Annotated	Anodyne	 
c1ccc(CN(Cc2ccco2)[C@H](c2ccncc2)c2nnnn2C2CCCC2)cc1	ZINC000026439060	HJ	Annotated	Anodyne	 
O=c1[nH]c2c(cc1CNC1CCCCC1)c(-c1ccc(F)cc1)nn2-c1ccccc1	ZINC000026440833	HJ	Annotated	Anodyne	 
CCC(COC(C)=O)(COC(C)=O)NCc1ccc2ccc3cccc4ccc1c2c34	ZINC000026472820	HJ	Annotated	Bother	
CC(=O)OCC(C)(COC(C)=O)NCc1ccc2ccc3cccc4ccc1c2c34	ZINC000026475444	HJ	Annotated	Bother	
C[C@@]12CC3CC(/N=C(\N)Nc4ccccc4I)(C1)C[C@](C)(C3)C2	ZINC000026487628	HJ	Annotated	Mild	
OC[C@H]1O[C@@H](n2c(SCc3ccccc3)cc3cc(Cl)c(Cl)cc32)C[C@@H]1O	ZINC000026488431	HJ	Annotated	Anodyne	
OC[C@H]1O[C@@H](n2c(SCc3ccccc3)cc3cc(Cl)c(Cl)cc32)C[C@H]1O	ZINC000026488436	HJ	Annotated	Anodyne	
CCC[C@@H](NC(=O)N1C(=O)[C@](C)(CC)[C@@H]1Oc1ccc(C(=O)O)cc1)c1ccccc1	ZINC000026495423	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)Nc2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1	ZINC000261073386	HJ	Annotated	Bother	
O[C@@H]1CC[C@@H](n2cc(-c3ccc4cnn(Cc5ccc6ncccc6c5)c4c3)cn2)CC1	ZINC000261074081	HJ	Annotated	Anodyne	 
O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1C[C@H]2C[C@H]3C[C@H]1C[C@H](C3)C2	ZINC000261083628	HJ	Annotated	Anodyne	 
CN1C[C@](O)(c2ccc(-c3ccc(Br)cc3)cc2)O[C@@H]2CCCC[C@H]21	ZINC000261084056	HJ	Annotated	Anodyne	 
CN1C[C@](O)(c2ccc(-c3ccc(Br)cc3)cc2)O[C@H]2CCCC[C@H]21	ZINC000261084057	HJ	Annotated	Anodyne	 
O=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)[C@H]1CC[C@@H](N2CCCCC2=O)CC1	ZINC000261087137	HJ	Annotated	Anodyne	 
CCc1c(NC(=O)N[C@H](C)c2ccccc2)ncc2c(-c3ccnc(C)c3)n[nH]c12	ZINC000261098831	HJ	Annotated	Anodyne	
CN1C[C@](O)(c2ccc(-c3ccc(Br)s3)cc2)O[C@@H]2CCCC[C@H]21	ZINC000261100540	HJ	Annotated	Anodyne	 
CN1C[C@](O)(c2ccc(-c3ccc(Br)s3)cc2)O[C@H]2CCCC[C@H]21	ZINC000261100543	HJ	Annotated	Anodyne	 
Cc1cc(Oc2ncc(Cl)cc2C(F)F)ccc1-c1c(C)c(O)nc(=O)n1C	ZINC000261110852	HJ	Annotated	Anodyne	
O[C@@H]1CC[C@@H](n2cc(-c3ccc4cn(Cc5ccc6ncccc6c5)nc4c3)cn2)CC1	ZINC000261114358	HJ	Annotated	Anodyne	 
Cc1nc2ccc(-c3n[nH]c4cc(NC(=O)N[C@H](C)c5ccccc5)ncc34)cc2o1	ZINC000261132789	HJ	Annotated	Anodyne	
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC2CCC3(CCCCC3)CC2)cc1F	ZINC000261139831	HJ	Annotated	Anodyne	
O=[SH](=O)Cc1ccc(-c2ccc3c(c2)CN2CC[C@@]3(c3ccc(Cl)cc3)C2)cc1	ZINC000261157464	HJ	Annotated	Anodyne	
O=S(=O)(N[C@@H]1[C@H]2CC[C@H]1Cc1c(Cl)cccc1C2)c1ccc(Cl)s1	ZINC000261165415	HJ	Annotated	Anodyne	 
Cc1cc(Oc2ncc(Cl)c(C)c2Cl)ccc1-c1c(C)c(O)nc(=O)n1C	ZINC000261166918	HJ	Annotated	Anodyne	
CC(=O)N1CCc2c(nc([C@H]3C(C)=Cc4ccccc43)nc2NCc2ccccc2)C1	ZINC000261178878	HJ	Annotated	Anodyne	
CC(=O)N1CCc2c(nc([C@@H]3C(C)=Cc4ccccc43)nc2NCc2ccccc2)C1	ZINC000261178879	HJ	Annotated	Anodyne	
COc1cccc2cc(-c3csc(NC(=O)Nc4ccccc4F)n3)c(=O)oc12	ZINC000261180460	HJ	Annotated	Anodyne	
[C-]#[N+]C1=C(c2ccc(OC)cc2)NC(C(F)F)=C(C#N)[C@@H]1c1ccc2[nH]nc(C)c2c1	ZINC000261184022	HJ	Annotated	Reactive	
[C-]#[N+]C1=C(c2ccc(OC)cc2)NC(C(F)F)=C(C#N)[C@H]1c1ccc2[nH]nc(C)c2c1	ZINC000261184023	HJ	Annotated	Reactive	
CC(=O)N(CCCC(F)(F)F)[C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1	ZINC000261185760	HJ	Annotated	Anodyne	 
N#Cc1ccc(NC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2[C@H]3Cc2ccccc2)cc1	ZINC000263591005	HJ	Annotated	Mild	
Cc1cccc(N=C2c3cc([N+](=O)[O-])ccc3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])c1	ZINC000263591483	HJ	Annotated	Mild	
CC(C)(C)C(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]4C[C@H](F)C(=O)[C@@]4(C)CC[C@@H]32)C1	ZINC000263591521	HJ	Annotated	Mild	
CC(C)(C)C(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]4C[C@H](F)C(=O)[C@@]4(C)CC[C@H]32)C1	ZINC000263591522	HJ	Annotated	Mild	
COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCC[C@@H]4[C@H]3C2=O)cc1	ZINC000263596923	HJ	Annotated	Anodyne	 
COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCC[C@H]4[C@@H]3C2=O)cc1	ZINC000263596924	HJ	Annotated	Anodyne	 
COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCC[C@H]4[C@H]3C2=O)cc1	ZINC000263596925	HJ	Annotated	Anodyne	 
Cc1c(S(=O)(=O)O)ccc(N=Nc2c(O)c(C(=O)O)cc3ccccc23)c1Cl	ZINC000263606610	HJ	Annotated	Anodyne	 
CC1(C)CC(=O)C2=C(C1)[C@H](c1ccccc1Cl)[C@@H]1C(=O)CC(C)(C)C[C@]1(O)O2	ZINC000263608871	HJ	Annotated	Mild	 
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@@]2(C)[C@@H]3C[C@@H]3CC(C)=CC(=O)[C@H]32)C1	ZINC000263611922	HJ	Annotated	Anodyne	 
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@]2(C)[C@@H]3C[C@@H]3CC(C)=CC(=O)[C@H]32)C1	ZINC000263611923	HJ	Annotated	Anodyne	 
CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@](C)(CCC=C(C)C)[C@H]1/C=C\OC(=O)C=C(C)C	ZINC000263636432	HJ	Annotated	Mild	
Cc1cc(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)cc(C)n1	ZINC000026571207	HJ	Annotated	Anodyne	
COc1ccc(-c2cc3c(OC)cc(OC)cc3n(C)/c2=N\Nc2ccccc2)cc1	ZINC000026573837	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@@H](CCl)c2c1cc(O)c1c2cnn1Cc1ccccc1	ZINC000026574738	HJ	Annotated	Reactive	
CC(C)(C)OC(=O)N1C[C@H](CCl)c2c1cc(O)c1c2cnn1Cc1ccccc1	ZINC000026574740	HJ	Annotated	Reactive	
Fc1ccc(C(OCCNCCNCCCc2ccccc2)c2ccc(F)cc2)cc1	ZINC000026575479	HJ	Annotated	Anodyne	
Cn1c2ccccc2c2nn(CCN3CCCC3)c3cc4c(c1c23)C=CC(C)(C)O4	ZINC000026579204	HJ	Annotated	Bother	
CCOc1cc2c3cc(OC)c(OC)cc3c(C)[n+](C)c2c2cc(OC)c(OC)cc12	ZINC000026580204	HJ	Annotated	Bother	
N#CNC1=Nc2ccccc2C(c2ccccc2F)=N[C@@H]1Cc1c[nH]c2ccccc12	ZINC000026637223	HJ	Annotated	Anodyne	
CNC1=Nc2ccccc2C(c2ccccc2NC)=N[C@@H]1Cc1c[nH]c2ccccc12	ZINC000026638017	HJ	Annotated	Anodyne	
CCC(CC)Nc1ccc(S(=O)(=O)N(Cc2c[nH]cn2)C(C(C)C)C(C)C)cc1	ZINC000026647191	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc(-c2nc3ccc(I)cc3c(=O)o2)cc1	ZINC000026657670	HJ	Annotated	Anodyne	
O=S(=O)(c1ccc(-c2ccsc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1	ZINC000026660545	HJ	Annotated	Anodyne	
CCCCOP(=O)(C[C@@H](CCc1ccccc1)OS(C)(=O)=O)OCCCC	ZINC000026670089	HJ	Annotated	Mild	
CCCCOP(=O)(C[C@H](CCc1ccccc1)OS(C)(=O)=O)OCCCC	ZINC000026670095	HJ	Annotated	Mild	
COc1ccc(Cl)cc1-c1c(CCCO)c(=O)[nH]c2ccc(C(F)(F)F)cc12	ZINC000026671868	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc2c(c1)/C(=N\Cc1ccc(C)cc1)N=C2NCc1ccc(C)cc1	ZINC000026672719	HJ	Annotated	Mild	
COc1ccc2c(c1)/C(=N/CCc1ccc(C)cc1)N=C2NCCc1ccc(C)cc1	ZINC000026673709	HJ	Annotated	Mild	
N=c1sc2cc(OC(F)(F)F)ccc2n1CCN1CCC(c2ccccc2)CC1	ZINC000026719202	HJ	Annotated	Anodyne	
COC(=O)[C@@H]1CCC[C@@H](NCc2cc(/C=C/c3ccc(Cl)c(Cl)c3)[nH]n2)C1	ZINC000026721976	HJ	Annotated	Anodyne	
COC(=O)[C@H]1CCC[C@@H](NCc2cc(/C=C/c3ccc(Cl)c(Cl)c3)[nH]n2)C1	ZINC000026721983	HJ	Annotated	Anodyne	
COC(=O)[C@@H]1CCC[C@H](NCc2cc(/C=C/c3ccc(Cl)c(Cl)c3)[nH]n2)C1	ZINC000026721988	HJ	Annotated	Anodyne	
COC(=O)[C@H]1CCC[C@H](NCc2cc(/C=C/c3ccc(Cl)c(Cl)c3)[nH]n2)C1	ZINC000026721995	HJ	Annotated	Anodyne	
COc1ccccc1N(C(=O)c1ccco1)[C@@H]1CCN(CCc2cccs2)C[C@@H]1C	ZINC000026724007	HJ	Annotated	Anodyne	
COc1ccccc1N(C(=O)c1ccco1)[C@H]1CCN(CCc2cccs2)C[C@@H]1C	ZINC000026724014	HJ	Annotated	Anodyne	
O=C1CCCCN1C1=CC(CF)(CF)Oc2ccc(C(F)(F)C(F)(F)F)cc21	ZINC000026724690	HJ	Annotated	Mild	
COC(=O)[C@@H]1CCC[C@@H](Nc2[nH]nc3cccc(OCc4ccc(F)c(F)c4)c23)C1	ZINC000026725544	HJ	Annotated	Anodyne	
COC(=O)[C@H]1CCC[C@@H](Nc2[nH]nc3cccc(OCc4ccc(F)c(F)c4)c23)C1	ZINC000026725548	HJ	Annotated	Anodyne	
COC(=O)[C@@H]1CCC[C@H](Nc2[nH]nc3cccc(OCc4ccc(F)c(F)c4)c23)C1	ZINC000026725553	HJ	Annotated	Anodyne	
COC(=O)[C@H]1CCC[C@H](Nc2[nH]nc3cccc(OCc4ccc(F)c(F)c4)c23)C1	ZINC000026725558	HJ	Annotated	Anodyne	
N=c1sc2cc(OC(F)(F)F)ccc2n1CCN1CC=C(c2ccccc2)CC1	ZINC000026726315	HJ	Annotated	Anodyne	
CCOC(=O)CC[C@@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21	ZINC000026732853	HJ	Annotated	Anodyne	
CCOC(=O)CC[C@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21	ZINC000026732857	HJ	Annotated	Anodyne	
COc1nc(CSc2ccc(-c3nccs3)c3c2C(=O)C[C@H](C)C3)ns1	ZINC000026739718	HJ	Annotated	Anodyne	
COc1nc(CSc2ccc(-c3nccs3)c3c2C(=O)C[C@@H](C)C3)ns1	ZINC000026739723	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)S(=O)(=O)N2c2ccccc2)cc1	ZINC000026739835	HJ	Annotated	Anodyne	
C[S@@](=O)CC(=O)N(CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12	ZINC000026742712	HJ	Annotated	Anodyne	
C[S@](=O)CC(=O)N(CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12	ZINC000026742717	HJ	Annotated	Anodyne	
CCOC(=O)/C=C/C[C@@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21	ZINC000026743059	HJ	Annotated	Anodyne	
CCOC(=O)/C=C/C[C@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21	ZINC000026743064	HJ	Annotated	Anodyne	
O=C(O)C[C@H](O)C[C@@H](O)COc1c(Cl)cc(Cl)cc1C(F)=C1CCCCC1	ZINC000026743754	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2[C@H](CCCc3ccccc3)S(=O)(=O)N2c2ccccc2)cc1	ZINC000026744314	HJ	Annotated	Anodyne	
CCN1c2ncc(CCc3ccccc3)cc2C(=O)N(C)c2ccc(C3=CCC=N3)nc21	ZINC000026817141	HJ	Annotated	Anodyne	
CCOC(=O)CCCn1c2ccccc2[n+]2nc3c(cc12)-c1cccc2cccc-3c12	ZINC000026827185	HJ	Annotated	Anodyne	
O=C(NC[C@@H]1CCCCN1)c1cc(CCC(F)(F)F)ccc1CCC(F)(F)F	ZINC000026827490	HJ	Annotated	Anodyne	
O=C(NC[C@H]1CCCCN1)c1cc(CCC(F)(F)F)ccc1CCC(F)(F)F	ZINC000026827494	HJ	Annotated	Anodyne	
CCC[C@@H](C)Oc1cccc(N(Cc2cccnc2)S(=O)(=O)CC(F)(F)F)c1	ZINC000026830915	HJ	Annotated	Anodyne	
CCC[C@H](C)Oc1cccc(N(Cc2cccnc2)S(=O)(=O)CC(F)(F)F)c1	ZINC000026830919	HJ	Annotated	Anodyne	
Cn1c2cc3ccccc3cc2c(=O)c2ccc3c(c21)[C@H]1OC(=O)O[C@H]1C(C)(C)O3	ZINC000026831443	HJ	Annotated	Bother	
CCC(CC)Oc1cccc(N(Cc2cccnc2)S(=O)(=O)CC(F)(F)F)c1	ZINC000026832093	HJ	Annotated	Anodyne	
COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(OC)cc3nc2c1	ZINC000026841335	HJ	Annotated	Clean	
CCOc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc12	ZINC000026842283	HJ	Annotated	Clean	
NCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	ZINC000026842754	HJ	Annotated	Clean	
Cc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(N)cc3nc2c1C	ZINC000026844463	HJ	Annotated	Clean	
Cc1c([N+](=O)[O-])ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc12	ZINC000026847457	HJ	Annotated	Clean	
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(Cl)c(N)cc23)cc1	ZINC000026847980	HJ	Annotated	Clean	
Cc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(N)c(C)c3nc12	ZINC000026848467	HJ	Annotated	Clean	
CS(=O)(=O)Nc1ccc(Nc2c3ccc(Cl)cc3nc3ccc(N)cc23)cc1	ZINC000026849422	HJ	Annotated	Clean	
CNc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3cccc(C)c3nc2c1	ZINC000026851765	HJ	Annotated	Clean	
CCCN(c1nc(-c2ccc(Br)cc2C)n(C)n1)C(C1CC1)C1CC1	ZINC000026936581	HJ	Annotated	Anodyne	
CN(C)c1ccc2nc3ccccc3c(Nc3ccc(NS(C)(=O)=O)cc3)c2c1	ZINC000026938190	HJ	Annotated	Clean	
COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3cccc(C)c3nc2c1	ZINC000026938672	HJ	Annotated	Clean	
CCCO/N=C/c1ccc(OCCC2CCN(c3ccc(Cl)nn3)CC2)cc1	ZINC000026938822	HJ	Annotated	Mild	
CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ncccc23)c(OC)c1	ZINC000026941667	HJ	Annotated	Bother	
Cc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc([N+](=O)[O-])cc3nc2c1	ZINC000026942263	HJ	Annotated	Clean	
CO[C@@]12CCCCCCCCC[C@@H]1c1ccccc1/C2=N/OC[C@@H](O)CNC(C)C	ZINC000026944058	HJ	Annotated	Mild	
CO[C@]12CCCCCCCCC[C@@H]1c1ccccc1/C2=N/OC[C@@H](O)CNC(C)C	ZINC000026944063	HJ	Annotated	Mild	
CO[C@@]12CCCCCCCCC[C@H]1c1ccccc1/C2=N/OC[C@@H](O)CNC(C)C	ZINC000026944069	HJ	Annotated	Mild	
CO[C@]12CCCCCCCCC[C@H]1c1ccccc1/C2=N/OC[C@@H](O)CNC(C)C	ZINC000026944074	HJ	Annotated	Mild	
CCc1sc(NS(=O)(=O)/C=C/c2ccccc2Cl)nc1-c1ccccc1	ZINC000026948583	HJ	Annotated	Anodyne	
COc1ccc2c(ccn2CCCCCOC(=O)Cc2ccc([N+](C)(C)C)cc2)c1	ZINC000026994050	HJ	Annotated	Bother	
C[N+](C)(C)c1ccc(C(=O)OCCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1	ZINC000026994909	HJ	Annotated	Bother	
C[n+]1cccc(C(=O)OCCCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)c1	ZINC000027075633	HJ	Annotated	Bother	
O=C1C[C@H](c2cccc(Br)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027082709	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2cccc(Br)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027082715	HJ	Annotated	Anodyne	
O=C1C[C@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027084167	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027084175	HJ	Annotated	Anodyne	
Cc1ccc([C@@H]2C/C(=N\CCCN(C)C)c3c([nH]c4ccc(Cl)cc4c3=O)C2)cc1	ZINC000027085070	HJ	Annotated	Mild	
Cc1ccc([C@H]2C/C(=N\CCCN(C)C)c3c([nH]c4ccc(Cl)cc4c3=O)C2)cc1	ZINC000027085078	HJ	Annotated	Mild	
CN(C)CCC/N=C1\CC2(CCCCC2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027086844	HJ	Annotated	Mild	
O=C(OCc1ccc([N+](=O)[O-])cc1)Oc1ccc(N(CCCl)CCCl)cc1	ZINC000027095067	HJ	Annotated	Reactive	
C[C@@H](/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)n1oc(=O)nc1O	ZINC000027098300	HJ	Annotated	Anodyne	
C[C@H](/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)n1oc(=O)nc1O	ZINC000027098308	HJ	Annotated	Anodyne	
CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2cccc(Cl)c2Cl)cc1	ZINC000027099984	HJ	Annotated	Anodyne	
CCn1c2ccccc2c2cc(/C=N\OCCO/N=C/c3ccc(O)c(O)c3)ccc21	ZINC000027102872	HJ	Annotated	Mild	
N[C@@H](CC1CCCCC1)[P@](=O)(O)C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)O	ZINC000027104819	HJ	Annotated	Anodyne	
N[C@H](CC1CCCCC1)[P@](=O)(O)C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)O	ZINC000027104822	HJ	Annotated	Anodyne	
N[C@@H](CC1CCCCC1)[P@](=O)(O)C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)O	ZINC000027104860	HJ	Annotated	Anodyne	
N[C@H](CC1CCCCC1)[P@](=O)(O)C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)O	ZINC000027104862	HJ	Annotated	Anodyne	
Oc1ccc([C@@H]2CN(Cc3ccco3)CCc3c2cc(O)c(O)c3Cl)cc1Cl	ZINC000027106043	HJ	Annotated	Clean	
Oc1ccc([C@H]2CN(Cc3ccco3)CCc3c2cc(O)c(O)c3Cl)cc1Cl	ZINC000027106047	HJ	Annotated	Clean	
CCOC(CCN1C(=O)c2cc(OC)cc3c2c1cc1ccc(OC)cc13)OCC	ZINC000027108378	HJ	Annotated	Bother	
CCCOc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCN(CC)CC)c2c1	ZINC000027108771	HJ	Annotated	Bother	
N[C@@H](CC1CCCCC1)[P@](=O)(O)C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)O	ZINC000027109265	HJ	Annotated	Anodyne	
N[C@H](CC1CCCCC1)[P@](=O)(O)C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)O	ZINC000027109269	HJ	Annotated	Anodyne	
N[C@@H](CC1CCCCC1)[P@](=O)(O)C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)O	ZINC000027109456	HJ	Annotated	Anodyne	
N[C@H](CC1CCCCC1)[P@](=O)(O)C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)O	ZINC000027109458	HJ	Annotated	Anodyne	
COc1cc(OC)c2c(c1)[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2cccc[n+]21	ZINC000027109681	HJ	Annotated	Anodyne	
COc1cc(OC)c2c(c1)[C@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2cccc[n+]21	ZINC000027109682	HJ	Annotated	Anodyne	
COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1	ZINC000027187902	HJ	Annotated	Clean	
CC(C)c1nn(-c2ccccc2)c(-c2ccc(F)cc2)c1CC[C@H]1C[C@H](O)CC(=O)O1	ZINC000027209760	HJ	Annotated	Anodyne	
COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1	ZINC000027210915	HJ	Annotated	Anodyne	
COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1	ZINC000027210918	HJ	Annotated	Anodyne	
O=C1c2cccnc2-c2nccc3c2c1nc1ccc(N(CCCl)CCCl)cc13	ZINC000027213789	HJ	Annotated	Reactive	
Nc1cc(Cl)nc(SCc2cc(Br)cc(Br)c2)n1	ZINC000027213964	HJ	Annotated	Anodyne	
CC(C)c1nn(-c2ccccc2)c(-c2ccc(F)cc2)c1CC[C@@H]1C[C@H](O)CC(=O)O1	ZINC000027216881	HJ	Annotated	Anodyne	
COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C)N2[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1	ZINC000027298620	HJ	Annotated	Anodyne	
COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C)N2[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1	ZINC000027298625	HJ	Annotated	Anodyne	
COC1(c2cc(Sc3ccc(N(C)C(C)=O)cc3)cc(F)c2C)CCOCC1	ZINC000027305268	HJ	Annotated	Anodyne	
Cn1c(=O)ccc2ccc(CSc3cc([C@@]4(C)COC(C)(C)O4)cs3)cc21	ZINC000027305641	HJ	Annotated	Anodyne	
Cn1c(=O)ccc2ccc(CSc3cc([C@]4(C)COC(C)(C)O4)cs3)cc21	ZINC000027305646	HJ	Annotated	Anodyne	
COC1(c2cc(Sc3ccc4c(c3)CCC(=O)N4C)sc2C)CCOCC1	ZINC000027307501	HJ	Annotated	Anodyne	
Cc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCC[C@@H](CN(C)C)C3=O)cc2)cc1	ZINC000027308189	HJ	Annotated	Mild	
Cc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCC[C@H](CN(C)C)C3=O)cc2)cc1	ZINC000027308195	HJ	Annotated	Mild	
CN(C)C[C@@H]1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccc(F)cc3)cc2)C1=O	ZINC000027309813	HJ	Annotated	Mild	
CN(C)C[C@H]1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccc(F)cc3)cc2)C1=O	ZINC000027309816	HJ	Annotated	Mild	
COC1(c2cc(Sc3ccc4c(c3)CCC(=O)N4C)cc(F)c2C)CCOCC1	ZINC000027310597	HJ	Annotated	Anodyne	
CC[N+]1(C)CC[C@@](O)(/C=C/c2ccc(C)cc2)[C@H](C(=O)/C=C/c2ccc(C)cc2)C1	ZINC000027319312	HJ	Annotated	Mild	
CC(C)(C)c1csc(/C=C/c2cccc(NC(=O)Cc3ncccc3C(=O)O)c2)n1	ZINC000027423737	HJ	Annotated	Anodyne	
Cc1cccc(-c2nc(SC[C@@H]3C[C@@](C)(O)CC(=O)O3)[nH]c2-c2cccc(C)c2)c1	ZINC000027433513	HJ	Annotated	Anodyne	
Cc1cccc(-c2nc(SC[C@@H]3C[C@](C)(O)CC(=O)O3)[nH]c2-c2cccc(C)c2)c1	ZINC000027433518	HJ	Annotated	Anodyne	
Cc1cccc(-c2nc(SC[C@H]3C[C@](C)(O)CC(=O)O3)[nH]c2-c2cccc(C)c2)c1	ZINC000027433523	HJ	Annotated	Anodyne	
C[C@@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1CCN=C=S	ZINC000027436412	HJ	Annotated	Reactive	
C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1CCN=C=S	ZINC000027436418	HJ	Annotated	Reactive	
Nc1nc2ccc(/C(=N/Nc3ccccc3)c3ccccc3)nn2c1-c1ccc(F)cc1	ZINC000027441313	HJ	Annotated	Mild	
CCOP(=O)(OCC)C(C[C@@H](C#N)c1ccccn1)P(=O)(OCC)OCC	ZINC000027443399	HJ	Annotated	Mild	
CCOP(=O)(OCC)C(C[C@H](C#N)c1ccccn1)P(=O)(OCC)OCC	ZINC000027443405	HJ	Annotated	Mild	
C=C[C@@H]1CC[C@@H](O)[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)C1	ZINC000027467710	HJ	Annotated	Mild	 
C=C[C@@H]1CC[C@H](O)[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)C1	ZINC000027467716	HJ	Annotated	Mild	 
CC(=O)O[C@@H]1O[C@@H]2O[C@H](OC(C)=O)[C@@H]3CC[C@H]([C@@H]1CC/C=C(\C)CCC=C(C)C)[C@H]23	ZINC000271776758	HJ	Annotated	Anodyne	 
CC(=O)O[C@@H]1O[C@@H]2O[C@H](OC(C)=O)[C@@H]3CC[C@H]([C@@H]1CC/C=C(/C)CCC=C(C)C)[C@@H]23	ZINC000271776767	HJ	Annotated	Anodyne	 
CC(=O)O[C@@H]1O[C@@H]2O[C@H](OC(C)=O)[C@@H]3CC[C@H]([C@@H]1CC/C=C(/C)CCC=C(C)C)[C@H]23	ZINC000271776774	HJ	Annotated	Anodyne	 
CC(=O)O[C@@H]1O[C@@H]2O[C@H](OC(C)=O)[C@@H]3CC[C@H]([C@@H]1CC/C=C(\C)CCC=C(C)C)[C@@H]23	ZINC000271776785	HJ	Annotated	Anodyne	 
CCOC1(OCC)[C@H]2c3c(Br)cccc3[C@H]([n+]3ccccc32)C1(C)C	ZINC000027517502	HJ	Annotated	Anodyne	
CCOC1(OCC)[C@@H]2c3c(Br)cccc3[C@@H]([n+]3ccccc32)C1(C)C	ZINC000027517503	HJ	Annotated	Anodyne	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1nc(CCCO)cs1	ZINC000027517786	HJ	Annotated	Anodyne	
CCOC1(OCC)[C@@H]2c3cc(Br)ccc3[C@@H]([n+]3ccccc32)C1(C)C	ZINC000027518409	HJ	Annotated	Anodyne	
CCOC1(OCC)[C@H]2c3cc(Br)ccc3[C@H]([n+]3ccccc32)C1(C)C	ZINC000027518410	HJ	Annotated	Anodyne	
O=C1CC[C@]2(c3ccc(Cl)c(Cl)c3)O[C@@H](COc3ccc(Cl)cc3)CN12	ZINC000027520804	HJ	Annotated	Anodyne	
CC1(C)C[C@]2(c3ccc(Cl)cc3)O[C@@H](COc3ccc(Cl)cc3)CN2C1=O	ZINC000027521370	HJ	Annotated	Anodyne	
CC(=O)N1C[C@@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000027522088	HJ	Annotated	Anodyne	
O=[N+]([O-])c1ccc(N/N=C(\c2ccc(O)cc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000027522358	HJ	Annotated	Mild	
CC(=O)N1C[C@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000027522528	HJ	Annotated	Anodyne	
CC1(C)C[C@]2(c3ccc(Cl)cc3)O[C@H](COc3ccc(Cl)cc3)CN2C1=O	ZINC000027522770	HJ	Annotated	Anodyne	
N#Cc1cc2c(nc1N1CCC(Cc3ccccc3)CC1)sc1c(Cl)nnnc12	ZINC000027524504	HJ	Annotated	Mild	
CCCc1c2c(cc(OC)c1C(=O)OC)[C@@]1(C)CCC[C@](C)(C(=O)OC)[C@@H]1C=C2	ZINC000027525455	HJ	Annotated	Anodyne	
CN(C)C1CCN(CCc2c(COc3ccccc3CO)sc3ccccc23)CC1	ZINC000027526705	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc(NC(=O)Cc2ccc(O[C@@]3(C(=O)O)CCC[C@H]3C)cc2)c1	ZINC000027526872	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc(NC(=O)Cc2ccc(O[C@@]3(C(=O)O)CCC[C@@H]3C)cc2)c1	ZINC000027526874	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc(NC(=O)Cc2ccc(O[C@]3(C(=O)O)CCC[C@H]3C)cc2)c1	ZINC000027526876	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc(NC(=O)Cc2ccc(O[C@]3(C(=O)O)CCC[C@@H]3C)cc2)c1	ZINC000027526877	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc(NC(=O)Cc2ccc(O[C@@]3(C(=O)O)CC[C@@H](C)C3)cc2)c1	ZINC000027527146	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc(NC(=O)Cc2ccc(O[C@@]3(C(=O)O)CC[C@H](C)C3)cc2)c1	ZINC000027527147	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc(NC(=O)Cc2ccc(O[C@]3(C(=O)O)CC[C@@H](C)C3)cc2)c1	ZINC000027527148	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc(NC(=O)Cc2ccc(O[C@]3(C(=O)O)CC[C@H](C)C3)cc2)c1	ZINC000027527149	HJ	Annotated	Anodyne	
C[C@@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F	ZINC000027527851	HJ	Annotated	Anodyne	 
CCN(CC)CCn1[nH]c2c3c(Cl)c(OC)ccc3nc3c([N+](=O)[O-])ccc1c32	ZINC000027548780	HJ	Annotated	Bother	
CCN(CC)CCn1[nH]c2c3cc(OC)c(Cl)cc3nc3c([N+](=O)[O-])ccc1c32	ZINC000027548782	HJ	Annotated	Bother	
CN(C)CCCn1[nH]c2c3cc(OCC(C)(C)C)ccc3nc3c([N+](=O)[O-])ccc1c32	ZINC000027548797	HJ	Annotated	Bother	
CCCCN(CCCC)C(=O)[C@@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1	ZINC000027555107	HJ	Annotated	Anodyne	
CCCCN(CCCC)C(=O)[C@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1	ZINC000027555109	HJ	Annotated	Anodyne	
CCCCCC12CCC(CC1)[C@@H](c1cc(=O)c3cc(OS(N)(=O)=O)ccc3o1)C2	ZINC000027556221	HJ	Annotated	Anodyne	
CCCCCC12CCC(CC1)[C@H](c1cc(=O)c3cc(OS(N)(=O)=O)ccc3o1)C2	ZINC000027556223	HJ	Annotated	Anodyne	
CC(C)CCC(=O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000027559390	HJ	Annotated	Mild	
C[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1cc(Cl)ccc1N1CCCC[C@H]1C	ZINC000027559566	HJ	Annotated	Anodyne	
C[C@H]1CCCCN1c1ccc(Cl)cc1[C@@H](C)NC(=O)Cc1ccc(C(=O)O)cc1	ZINC000027559568	HJ	Annotated	Anodyne	
CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)C#CC(C)(C)C)[C@]13C(=O)O	ZINC000027560049	HJ	Annotated	Mild	
COc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C=C(n1ccc4cc(F)ccc41)C3)CO2	ZINC000027560374	HJ	Annotated	Anodyne	
CC(C)CC[C@@H](O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000027562953	HJ	Annotated	Mild	
CC(C)CC[C@H](O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000027562955	HJ	Annotated	Mild	
CCCCC#CC(=O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000027564280	HJ	Annotated	Mild	
COC1(c2nc3ccc(C)cc3s2)C=CC(=NS(=O)(=O)c2ccc(C)cc2)C=C1	ZINC000027620772	HJ	Annotated	Mild	
c1ccc(-c2cc(Cc3ccc4ccccc4c3)c(NCCN3CCOCC3)nn2)cc1	ZINC000027623189	HJ	Annotated	Anodyne	 
O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1c1cccc(Br)n1	ZINC000027625685	HJ	Annotated	Anodyne	
O=C1CS[C@H](c2c(Cl)cccc2Cl)N1c1cccc(Br)n1	ZINC000027625691	HJ	Annotated	Anodyne	
CC(C)(C)CC(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1	ZINC000027631902	HJ	Annotated	Reactive	
O=C(Nc1ccc(N(CCCl)CCCl)cc1)Oc1ccc([N+](=O)[O-])s1	ZINC000027637485	HJ	Annotated	Reactive	
O=[N+]([O-])c1c(Cl)cccc1-c1cn(CC#CI)cc1Cl	ZINC000027644617	HJ	Annotated	Mild	
NCCCN(Cc1ccccc1)Cc1ccc(Cc2ccc(Br)o2)cc1	ZINC000027706046	HJ	Annotated	Anodyne	
CCN(CC)CCNc1ccccc1-c1ccccc1NC(=O)Cc1ccc(N)cc1	ZINC000027714325	HJ	Annotated	Clean	
COc1cc(OC)c([C@@H]2[C@@H](C)[C@H](C)[C@H]2c2cc(OC)c(OC)cc2OC)cc1OC	ZINC000027719017	HJ	Annotated	Anodyne	in-vitro biogenic
CC(=O)Nc1ccccc1OP(=O)(Oc1ccccc1NC(C)=O)c1ccccc1	ZINC000027721288	HJ	Annotated	Anodyne	
CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](c3nnnn3C3CCCCC3)CN(C)[C@@H]1C2	ZINC000027724042	HJ	Annotated	Anodyne	
CC(C)Cn1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)NC3CCCCC3)CN(C)[C@@H]1C2	ZINC000027725704	HJ	Annotated	Clean	
O=C(c1ccoc1)N(c1nc2ccccc2o1)C1CCN(CCc2ccccc2)CC1	ZINC000027736178	HJ	Annotated	Anodyne	
O=C(c1ccco1)N(c1nc2ccccc2o1)C1CCN(CCc2ccccc2)CC1	ZINC000027740495	HJ	Annotated	Anodyne	
CCc1nn(CC(=O)O)c(CC)c1CCCCCCOc1ccc(OC)cc1Cl	ZINC000027760523	HJ	Annotated	Anodyne	
COc1ccc(C(=O)O[C@@H]2CC(C)=CC[C@]3(C)CC[C@@](O)(C(C)C)[C@@H]23)cc1OC	ZINC000027840829	HJ	Annotated	Anodyne	
CCc1nn(CCO)c(CC)c1CCCCCCOc1ccc(OC)cc1Cl	ZINC000027849850	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2[C@@H]([P@](=O)(O)CCc3ccccc3)C(=O)N2c2ccccc2)cc1	ZINC000027853205	HJ	Annotated	Anodyne	
Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1C1CCCCC1	ZINC000027871315	HJ	Annotated	Anodyne	
C=C(CNC(=O)CCCN)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O	ZINC000027875074	HJ	Annotated	Mild	
C=C(CNC(=O)CCCN)[C@@H]1CCC(C)=C[C@@H]1c1c(O)cc(CCCCC)cc1O	ZINC000027875081	HJ	Annotated	Mild	
COc1ccc([C@@H]2[C@@H](CC[S@@](=O)c3ccccc3)C(=O)N2c2ccccc2)cc1	ZINC000027876307	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2[C@@H](CC[S@](=O)c3ccccc3)C(=O)N2c2ccccc2)cc1	ZINC000027876314	HJ	Annotated	Anodyne	
CC1(C)O[C@@H]2[C@@H](CN=[N+]=[N-])O[C@@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)[C@@H]2O1	ZINC000027879381	HJ	Annotated	Clean	
CC1(C)O[C@H]2[C@@H](CN=[N+]=[N-])O[C@@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)[C@@H]2O1	ZINC000027879387	HJ	Annotated	Clean	
CC1(C)O[C@@H]2[C@H](CN=[N+]=[N-])O[C@@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)[C@@H]2O1	ZINC000027879399	HJ	Annotated	Clean	
CC1(C)O[C@H]2[C@H](CN=[N+]=[N-])O[C@@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)[C@@H]2O1	ZINC000027879405	HJ	Annotated	Clean	
CC1(C)O[C@@H]2[C@@H](CCl)O[C@@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)[C@@H]2O1	ZINC000027879441	HJ	Annotated	Reactive	
CC1(C)O[C@H]2[C@@H](CCl)O[C@@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)[C@@H]2O1	ZINC000027879447	HJ	Annotated	Reactive	
CC1(C)O[C@@H]2[C@H](CCl)O[C@@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)[C@@H]2O1	ZINC000027879452	HJ	Annotated	Reactive	
CC1(C)O[C@H]2[C@H](CCl)O[C@@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)[C@@H]2O1	ZINC000027879458	HJ	Annotated	Reactive	
CCCCCCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N	ZINC000027880164	HJ	Annotated	Anodyne	
CN(C)C(=O)C[C@@]1(O)CCC[C@@H](/C=C/[C@@H](O)CCCCc2ccc(N=[N+]=[N-])cc2)C1	ZINC000027885762	HJ	Annotated	Mild	
CN(C)C(=O)C[C@]1(O)CCC[C@@H](/C=C/[C@@H](O)CCCCc2ccc(N=[N+]=[N-])cc2)C1	ZINC000027885770	HJ	Annotated	Mild	
CN(C)C(=O)C[C@@]1(O)CCC[C@H](/C=C/[C@@H](O)CCCCc2ccc(N=[N+]=[N-])cc2)C1	ZINC000027885777	HJ	Annotated	Mild	
CN(C)C(=O)C[C@]1(O)CCC[C@H](/C=C/[C@@H](O)CCCCc2ccc(N=[N+]=[N-])cc2)C1	ZINC000027885783	HJ	Annotated	Mild	
CC(=O)OC/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@H](C)C(=O)CC=C(C)C)OC1	ZINC000027886842	HJ	Annotated	Anodyne	
CC(=O)OC/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@@H](C)C(=O)CC=C(C)C)OC1	ZINC000027886848	HJ	Annotated	Anodyne	
Cc1sc(N)c(C(=O)c2ccc(I)c3ccccc23)c1C	ZINC000027890757	HJ	Annotated	Anodyne	
CC(=O)OC/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@H](C)[C@@H](O)CC=C(C)C)OC1	ZINC000027892923	HJ	Annotated	Anodyne	
CC(=O)OC/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@@H](C)[C@@H](O)CC=C(C)C)OC1	ZINC000027892929	HJ	Annotated	Anodyne	
CC(=O)OC/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@H](C)[C@H](O)CC=C(C)C)OC1	ZINC000027892935	HJ	Annotated	Anodyne	
CC(=O)OC/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@@H](C)[C@H](O)CC=C(C)C)OC1	ZINC000027892941	HJ	Annotated	Anodyne	
N[C@@H]1Cc2c3n(c4ccc(O)cc24)C(=O)C[C@@]2(CCc4ccccc4)CCC[C@@H]1[C@@H]32	ZINC000027897389	HJ	Annotated	Anodyne	
Cc1cc(OCC(=O)N(C)[C@@H]2CCCC[C@H]2N2CCCCCC2)cc(C)c1Cl	ZINC000027899123	HJ	Annotated	Anodyne	
N[C@@H]1Cc2c3n(c4cccc(O)c24)C(=O)C[C@@]2(CCc4ccccc4)CCC[C@@H]1[C@@H]32	ZINC000027900166	HJ	Annotated	Anodyne	
CN(C(=O)COc1cc(Cl)c(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1	ZINC000027900428	HJ	Annotated	Anodyne	
Cc1ccc(Oc2nc(N)c3c(C)nn(-c4cc(Cl)cc(Cl)c4)c3n2)cn1	ZINC000027900666	HJ	Annotated	Anodyne	
COc1cc(C(=O)O)ccc1CN(Cc1ccccc1)c1ccc(C(C)=O)c(O)c1	ZINC000027903879	HJ	Annotated	Anodyne	
CCc1nn(-c2cc(Cl)cc(Cl)c2)c2nc(Oc3ccc(C)nc3)nc(N)c12	ZINC000027904123	HJ	Annotated	Anodyne	
Oc1c(CN2CCCC2)cc(Nc2ccc3ccccc3n2)cc1CN1CCCC1	ZINC000027978213	HJ	Annotated	Clean	
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2[S@@](=O)Cc1ccccc1	ZINC000027982697	HJ	Annotated	Mild	
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2[S@@](=O)Cc1ccccc1	ZINC000027982702	HJ	Annotated	Anodyne	 
C[C@@H](CCOC(=O)c1cc(/N=C/c2cc(O)ccc2O)ccc1O)c1ccccc1	ZINC000027994507	HJ	Annotated	Mild	
C[C@H](CCOC(=O)c1cc(/N=C/c2cc(O)ccc2O)ccc1O)c1ccccc1	ZINC000027994512	HJ	Annotated	Mild	
C[C@@H](COC(=O)c1cc(/N=C/c2cc(O)ccc2O)ccc1O)Cc1ccccc1	ZINC000027994519	HJ	Annotated	Mild	
C[C@H](COC(=O)c1cc(/N=C/c2cc(O)ccc2O)ccc1O)Cc1ccccc1	ZINC000027994527	HJ	Annotated	Mild	
C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCC(N4CCCCC4)CC3)[C@@H]12	ZINC000027994617	HJ	Annotated	Anodyne	
CCC(=O)N1CCN(C2=Nc3cc(Cl)c(Cl)cc3Nc3cscc32)CC1	ZINC000027995558	HJ	Annotated	Anodyne	
CC(C)CCO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000028006038	HJ	Annotated	Mild	
CC(C)=CCO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000028007044	HJ	Annotated	Mild	
CC(C)CO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000028007386	HJ	Annotated	Mild	
CC[C@@H](C)CO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O	ZINC000028012383	HJ	Annotated	Mild	
O=Cc1ccc([C@@H]2[C@@H](CCCc3ccc(O)cc3)C(=O)N2c2ccc(C=O)cc2)cc1	ZINC000028095498	HJ	Annotated	Anodyne	
O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCC1)[C@@H](NCC1CCCC1)O2	ZINC000028121556	HJ	Annotated	Anodyne	
O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCC1)[C@H](NCC1CCCC1)O2	ZINC000028121563	HJ	Annotated	Anodyne	
O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCCC1)[C@@H](N1CCCCC1)O2	ZINC000028126145	HJ	Annotated	Anodyne	
O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCCC1)[C@H](N1CCCCC1)O2	ZINC000028126150	HJ	Annotated	Anodyne	
CC(C)CN[C@@H]1Oc2ccc(C(=O)c3ccccc3)c(O)c2N[C@@H]1c1ccccc1	ZINC000028126171	HJ	Annotated	Anodyne	
CC(C)CN[C@H]1Oc2ccc(C(=O)c3ccccc3)c(O)c2N[C@@H]1c1ccccc1	ZINC000028126179	HJ	Annotated	Anodyne	
CC(C)CN[C@@H]1Oc2ccc(C(=O)c3ccccc3)c(O)c2N[C@H]1c1ccccc1	ZINC000028126184	HJ	Annotated	Anodyne	
CC(C)CN[C@H]1Oc2ccc(C(=O)c3ccccc3)c(O)c2N[C@H]1c1ccccc1	ZINC000028126191	HJ	Annotated	Anodyne	
COc1ccc(N(CC2CCCC2)C(=O)Nc2ncc(Br)s2)cn1	ZINC000028130403	HJ	Annotated	Anodyne	
N#Cc1c(N2CCc3ccccc3C2)cc(-c2ccc(Br)cc2)oc1=O	ZINC000028130690	HJ	Annotated	Mild	
CCCCCCC(=O)N1[C@@H](c2cccs2)[C@@H](C(=O)O)C[C@@]1(CC(C)C)C(=O)O	ZINC000028133328	HJ	Annotated	Anodyne	
O=S(=O)(c1cccc2ccccc12)n1cc(C2=CCNCC2)c2cc(F)ccc21	ZINC000028133481	HJ	Annotated	Anodyne	
Cc1ccc(-c2nc(S(=O)(=O)C(F)(F)C(F)F)[nH]c2-c2ccc(C)cc2)cc1	ZINC000028220052	HJ	Annotated	Anodyne	
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1C[C@H]1C(=O)Nc2ccccc21	ZINC000028242890	HJ	Annotated	Anodyne	
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1C[C@@H]1C(=O)Nc2ccccc21	ZINC000028242897	HJ	Annotated	Anodyne	
CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCC[C@@H]3c3ccccc3)[nH]2)c1	ZINC000028243046	HJ	Annotated	Anodyne	
CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCC[C@H]3c3ccccc3)[nH]2)c1	ZINC000028243053	HJ	Annotated	Anodyne	
CN1CCC[C@@]12CCCC[C@@H]2N(CC1CC1)C(=O)c1ccc(Br)cc1	ZINC000028254521	HJ	Annotated	Anodyne	
CC(C)CN(C(=O)c1ccc(Br)cc1)[C@H]1CCCC[C@@]12CCCN2C	ZINC000028256736	HJ	Annotated	Anodyne	
COc1ccc(OCC[C@H]2C(=O)N(c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000028263739	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2[C@@H](CCOc3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2)cc1	ZINC000028264202	HJ	Annotated	Bother	
CSc1cc(-c2ccc(OCCc3nccc4c3CCCC4)cc2)oc(=O)c1C#N	ZINC000028335203	HJ	Annotated	Mild	
O=S(=O)(NC1[C@H]2CC[C@@H]1Cc1ccccc1C2)c1cc(Cl)c(Cl)s1	ZINC000028339592	HJ	Annotated	Anodyne	
CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C\Cc2ccccc2)c1	ZINC000028343863	HJ	Annotated	Anodyne	
C[C@@]1(C2CCCC2)Cc2cc(OCCCCc3nnn[nH]3)c(Cl)c(Cl)c2C1=O	ZINC000028344163	HJ	Annotated	Anodyne	
C[C@]1(C2CCCC2)Cc2cc(OCCCCc3nnn[nH]3)c(Cl)c(Cl)c2C1=O	ZINC000028344172	HJ	Annotated	Anodyne	
CCCN(CCOC)c1cc(C)nc2c(-c3ncc(Cl)cc3Cl)c(C)nn12	ZINC000028344706	HJ	Annotated	Anodyne	
O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1c(Cl)cccc1C2)c1ccc(Cl)s1	ZINC000028345417	HJ	Annotated	Anodyne	
O=S(=O)(N[C@H]1[C@H]2CC[C@@H]1Cc1c(Cl)cccc1C2)c1ccc(Cl)s1	ZINC000028345423	HJ	Annotated	Anodyne	
O=S(=O)(N[C@H]1[C@H]2CC[C@@H]1Cc1ccc(Cl)cc1C2)c1ccc(Cl)s1	ZINC000028353160	HJ	Annotated	Anodyne	
O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1cc(Cl)ccc1C2)c1ccc(Cl)s1	ZINC000028353167	HJ	Annotated	Anodyne	
C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccccc2F)c(C#N)c1)c1ccc(F)cc1	ZINC000028361026	HJ	Annotated	Mild	
C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccccc2F)c(C#N)c1)c1ccc(F)cc1	ZINC000028361031	HJ	Annotated	Mild	
COc1ccc(-n2c(S)nnc2-c2sc(SC)c3c2CCCC3=O)cc1	ZINC000028367579	HJ	Annotated	Anodyne	
C[C@@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1ccc(C#N)cc1	ZINC000028369358	HJ	Annotated	Mild	
C[C@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1ccc(C#N)cc1	ZINC000028369365	HJ	Annotated	Mild	
COc1cc2c(c(OC)c1OC)[C@]13C(=O)OC[C@H]1[C@@H](C)c1cccc4cccc(c14)[C@@H]23	ZINC000028370860	HJ	Annotated	Anodyne	 
CCO/N=C/c1cc(C)c(OCCCCCN2CCN(c3ccncc3)C2=O)c(C)c1	ZINC000028387469	HJ	Annotated	Mild	
CCO/N=C/c1ccc(OCCCCCCCN2CCN(c3ccncc3)C2=O)cc1	ZINC000028389215	HJ	Annotated	Mild	
CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cnccn1	ZINC000028390602	HJ	Annotated	Anodyne	
C[C@H](COC(=O)c1ccc2ccccc2c1)CC1=C(O)C(=O)c2ccccc2C1=O	ZINC000028392867	HJ	Annotated	Mild	
Cc1ccc(S(=O)(=O)/N=C(\O)c2ccc(Cl)cc2Cl)c(Br)c1	ZINC000028455890	HJ	Annotated	Mild	
CCCC/C=C/C=C(\C)C(=O)c1c(O)cc([C@@H](C)CC/C=C/NC(=O)OC)oc1=O	ZINC000028456575	HJ	Annotated	Mild	
CCCC/C=C/C=C(\C)C(=O)c1c(O)cc([C@H](C)CC/C=C/NC(=O)OC)oc1=O	ZINC000028456578	HJ	Annotated	Mild	
CC1(C)CNC(c2cccc(-c3ccc(-c4cccc(C5=NC(C)(C)CN5)c4)o3)c2)=N1	ZINC000028457370	HJ	Annotated	Anodyne	
OC[C@H]1O[C@@H](n2c(Cl)c(-c3ccsc3)c3cc(Cl)c(Cl)cc32)C[C@@H]1O	ZINC000028458022	HJ	Annotated	Anodyne	
C[C@@H](COC(=O)c1ccc2ccccc2c1O)CC1=C(O)C(=O)c2ccccc2C1=O	ZINC000028458771	HJ	Annotated	Mild	
COc1c(C(=O)OCCCC2=CC(=O)c3ccccc3C2=O)ccc2ccccc12	ZINC000028458774	HJ	Annotated	Mild	
C[C@H](COC(=O)c1ccc2ccccc2c1O)CC1=CC(=O)c2ccccc2C1=O	ZINC000028459923	HJ	Annotated	Mild	
COc1c(C(=O)OCCCC2=C(O)C(=O)c3ccccc3C2=O)ccc2ccccc12	ZINC000028460185	HJ	Annotated	Mild	
CN(C)CCN(Cc1ccc(-c2ccc(CN)cc2)cc1)C(=O)CCC1CCCC1	ZINC000028460557	HJ	Annotated	Anodyne	
OC[C@H]1O[C@@H](n2c(Cl)c(-c3ccco3)c3cc(Cl)c(Cl)cc32)C[C@@H]1O	ZINC000028464285	HJ	Annotated	Anodyne	
NCc1cccc(C2CCN(C(=O)c3cn(-c4cccnc4)c4ccccc34)CC2)c1	ZINC000028465612	HJ	Annotated	Anodyne	
CN(C)c1ccc(-c2nc3ncnc(N)c3cc2-c2cccc(Br)c2)cc1	ZINC000028470408	HJ	Annotated	Anodyne	
COc1ccc(OC)c(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCCC3)n2)c1	ZINC000028470784	HJ	Annotated	Anodyne	
CC(C)(/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](O)CO)CCCCO	ZINC000028472376	HJ	Annotated	Anodyne	
CC(C)(/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](O)CO)CCCCO	ZINC000028472381	HJ	Annotated	Anodyne	
CC(C)/N=C(/N)c1ccc2[nH]c(=O)c3sc4cc(Br)ccc4c3c2c1	ZINC000028472836	HJ	Annotated	Mild	
CC(C)/N=C(/N)c1ccc2c(c1)sc1c(=O)[nH]c3ccc(Br)cc3c12	ZINC000028474503	HJ	Annotated	Mild	
CCCOc1nc2ccc(OCCC3CCN(c4ccc(C)nn4)CC3)cc2s1	ZINC000028520256	HJ	Annotated	Anodyne	
Cc1cc2c(/N=N/C(=N)S)c(O)n(CN3CCCCC3)c2cc1Br	ZINC000028521038	HJ	Annotated	Clean	
CCN(CC)CCC1C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O	ZINC000028521671	HJ	Annotated	Clean	
CCOc1cc2c3cc(OC)c(OC)cc3c[n+](CC)c2c2cc(OC)c(OC)cc12	ZINC000028522806	HJ	Annotated	Bother	
COc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4c4occc4c3c2cc1OC	ZINC000028522980	HJ	Annotated	Bother	
O=C(O)/C(=C/c1ccc(-c2ccccc2C(F)(F)F)o1)NC(=O)c1ccccc1	ZINC000028523027	HJ	Annotated	Anodyne	
Nc1cccc(Cl)c1Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)cc1	ZINC000028523723	HJ	Annotated	Anodyne	
Cc1ccnc(C2=CN(CCCCN3C(=O)c4ccccc4OC=C3Cl)CCC2)n1	ZINC000028524883	HJ	Annotated	Anodyne	
O=S(=O)(c1cccc(Cl)c1Cl)n1cc(C2=CCCNC2)c2ccccc21	ZINC000028526590	HJ	Annotated	Anodyne	
Cc1cccc(C(=O)NC(C)C)c1NC(=O)c1ccc(C(F)(F)F)nc1C(C)C	ZINC000028528158	HJ	Annotated	Anodyne	
O=C(c1nc(-c2c[nH]c3cc(Br)ccc23)c[nH]1)c1c[nH]c2c1CCC=C2	ZINC000028528467	HJ	Annotated	Anodyne	
O=C1N(c2ccc(OCc3ccccn3)nc2)CCN1c1ccc(Cl)c(Cl)c1	ZINC000028528695	HJ	Annotated	Anodyne	
COC(=O)c1nc(-c2csc([C@@H](NC(=O)CC3=CCCCC3)C(C)C)n2)oc1C	ZINC000028563621	HJ	Annotated	Anodyne	
Cc1cc(C)cc(Oc2ncccc2-c2n[nH]c(Nc3ccc4c(c3)OCO4)n2)c1	ZINC000028564140	HJ	Annotated	Anodyne	
CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)C1CCCC1)C=CC2=O	ZINC000028566804	HJ	Annotated	Mild	
CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1ccccc1)C=CC2=O	ZINC000028566915	HJ	Annotated	Mild	
COC(=O)c1ccc(-c2c(C#N)c(N)nc(Sc3cccc(Cl)c3)c2C#N)cc1	ZINC000028567128	HJ	Annotated	Mild	
CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1cccs1)C=CC2=O	ZINC000028567536	HJ	Annotated	Mild	
CCCOc1c(C(=O)OC)c2c3c(oc2c2ccccc12)C(=O)c1ccccc1C3=O	ZINC000028567971	HJ	Annotated	Clean	
O[C@@]1(C(F)(F)F)CC(c2ccc(F)cc2)=NN1c1ccnc2cc(Cl)ccc12	ZINC000028568366	HJ	Annotated	Clean	
O[C@]1(C(F)(F)F)CC(c2ccc(F)cc2)=NN1c1ccnc2cc(Cl)ccc12	ZINC000028568367	HJ	Annotated	Clean	
COc1ccc(C2=NN(c3ccnc4cc(Cl)ccc34)[C@@](O)(C(F)(F)F)C2)cc1	ZINC000028568390	HJ	Annotated	Clean	
COc1ccc(C2=NN(c3ccnc4cc(Cl)ccc34)[C@](O)(C(F)(F)F)C2)cc1	ZINC000028568391	HJ	Annotated	Clean	
O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ncn1CCF	ZINC000028568764	HJ	Annotated	Anodyne	
CC[C@@H](C)c1ncc([C@@H](C)O)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	ZINC000028569376	HJ	Annotated	Anodyne	
CC[C@H](C)c1ncc([C@@H](C)O)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	ZINC000028569377	HJ	Annotated	Anodyne	
CC[C@@H](C)c1ncc([C@H](C)O)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	ZINC000028569378	HJ	Annotated	Anodyne	
CC[C@H](C)c1ncc([C@H](C)O)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	ZINC000028569379	HJ	Annotated	Anodyne	
c1ccc(CNc2ccccc2-c2cnc(Nc3ccc4c(c3)OCCO4)o2)nc1	ZINC000028570827	HJ	Annotated	Anodyne	
CCCO[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCCC	ZINC000028570989	HJ	Annotated	Anodyne	
Cn1cnc(NCc2ccncc2)c1-c1nnc(Nc2ccc(Cl)c(Cl)c2)o1	ZINC000028570995	HJ	Annotated	Anodyne	
Cn1cnc(NCc2ccncc2)c1-c1nnc(Nc2ccc(C(C)(C)C)cc2)o1	ZINC000028571495	HJ	Annotated	Anodyne	
O=C(NCc1ccccc1)[C@@H]1CCC[C@H]1[C@@H](O)CCc1ccccc1OC(F)(F)F	ZINC000028571635	HJ	Annotated	Anodyne	
O=C(NCc1ccccc1)[C@@H]1CCC[C@H]1[C@H](O)CCc1ccccc1OC(F)(F)F	ZINC000028571636	HJ	Annotated	Anodyne	
CCCO[C@H]1[C@@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCCC	ZINC000028571967	HJ	Annotated	Anodyne	
O=S(=O)(Nc1nc2cc(Br)ccc2o1)c1cc(Cl)ccc1Cl	ZINC000028572213	HJ	Annotated	Anodyne	
C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(C=O)cc(O)c1OS(=O)(=O)O	ZINC000028637206	HJ	Annotated	Mild	
C=C1CCC[C@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(C=O)cc(O)c1OS(=O)(=O)O	ZINC000028637209	HJ	Annotated	Mild	
COC(=O)c1ccc(Cn2ccc(=O)c(Cc3c(Cl)cccc3Cl)c2C)cc1	ZINC000028640268	HJ	Annotated	Anodyne	
Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1Cc1ccc(C(=O)O)cc1	ZINC000028640269	HJ	Annotated	Anodyne	
O=C(N/N=C/c1ccccn1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1	ZINC000028642311	HJ	Annotated	Reactive	
O=C(N/N=C/c1cccnc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1	ZINC000028642313	HJ	Annotated	Reactive	
O=C(N/N=C/c1ccncc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1	ZINC000028642605	HJ	Annotated	Reactive	
FC(F)(F)c1ccccc1Cn1nnc2c(NC3CC3)nc(-c3ccccc3)nc21	ZINC000028644213	HJ	Annotated	Anodyne	
CCCS/C(C)=N\OCc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	ZINC000028647287	HJ	Annotated	Mild	
Cc1cc(C(F)(F)F)nc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)n1	ZINC000028647312	HJ	Annotated	Anodyne	
Cc1cc(C(F)(F)F)nc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)n1	ZINC000028647315	HJ	Annotated	Anodyne	
COc1ccccc1NC(=S)N1N=C(c2ccc(O)c(C)c2)C[C@@H]1Cc1ccco1	ZINC000028653389	HJ	Annotated	Clean	
COc1ccccc1NC(=S)N1N=C(c2ccc(O)c(C)c2)C[C@H]1Cc1ccco1	ZINC000028653392	HJ	Annotated	Clean	
CCCO/N=C(\C)[C@@H](Cc1ccc(OCCc2nc(C(C)C)oc2C)cc1)C(=O)O	ZINC000028702668	HJ	Annotated	Mild	
CCCO/N=C(\C)[C@H](Cc1ccc(OCCc2nc(C(C)C)oc2C)cc1)C(=O)O	ZINC000028702670	HJ	Annotated	Mild	
C=CCN(C#N)c1nc(Cl)c(-c2c(F)cc(F)cc2F)c(NCC(F)(F)F)n1	ZINC000028703518	HJ	Annotated	Mild	
COc1cc([C@@H]2[C@@H](C)[C@H](C)[C@H]2c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O	ZINC000028707419	HJ	Annotated	Anodyne	
N#Cc1c(O)nsc1Nc1cc(Br)ccc1OCc1ccccc1	ZINC000028707481	HJ	Annotated	Mild	
CSc1ccc(OCc2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1	ZINC000028709030	HJ	Annotated	Anodyne	
CCSc1ccc(OCc2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1	ZINC000028709035	HJ	Annotated	Anodyne	
CN(CCC/N=C/c1cc(Cl)ccc1O)CCC/N=C/c1cc(Cl)ccc1O	ZINC000028709183	HJ	Annotated	Mild	
Cc1cc(Oc2ccc3c(c2)OCO3)nc(Oc2ccc(-n3ccnc3)cc2Cl)n1	ZINC000028709531	HJ	Annotated	Anodyne	
Cc1ccc(O)c(Cn2c(NC3CCN(CCC(C)C)CC3)nc3c(C)cccc32)n1	ZINC000028710370	HJ	Annotated	Anodyne	
Cc1cc(C)c2nc(NCCNc3ccccc3)n(Cc3nc(C)ccc3O)c2c1	ZINC000028710376	HJ	Annotated	Anodyne	
N=C(NO)c1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F	ZINC000028710975	HJ	Annotated	Anodyne	
Cc1cccc(C)c1-n1ccc(=O)c(OCCCCCOc2c(C)occc2=O)c1C	ZINC000028712730	HJ	Annotated	Anodyne	
Cc1occc(=O)c1OCCCCCOc1c(C)n(C2CCCCC2)ccc1=O	ZINC000028712732	HJ	Annotated	Anodyne	
COc1ccc(-n2c(S)nnc2-c2cc(-c3ccc(F)cc3F)ccc2O)cc1	ZINC000028712832	HJ	Annotated	Anodyne	
COC(=O)c1c(Nc2ccc(F)cc2)sc(/C(=N/O)c2ccc(OC)cc2)c1C	ZINC000028713204	HJ	Annotated	Mild	
CCC/C(=C1/SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O)c1ccccc1	ZINC000028714323	HJ	Annotated	Clean	
CC(C)C[C@@H](C(=O)O)N1C(=O)C(=C(c2ccccc2)c2ccccc2)SC1=S	ZINC000028714326	HJ	Annotated	Clean	
O=C(c1ccccc1Cl)c1cc2oc(=O)n(CCc3ccccn3)c2cc1Cl	ZINC000028754986	HJ	Annotated	Anodyne	
COCCN(CCOC)c1nc2cc(-c3ccc(Cl)cc3)nnc2c2ccccc12	ZINC000028758909	HJ	Annotated	Bother	
OCC#Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1c[nH]c3ccc(Br)cc13)N2	ZINC000028759348	HJ	Annotated	Mild	
COC1(c2cc(F)cc(Sc3ccc4c(c3)OCC/C4=N\O)c2)CCOCC1	ZINC000028760341	HJ	Annotated	Mild	
COC1(c2csc(Sc3ccc4c(c3)CC/C4=N\OCC#N)c2)CCOCC1	ZINC000028760497	HJ	Annotated	Mild	
CCOC(=O)/C(=N\O)c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1	ZINC000028760729	HJ	Annotated	Mild	
CO[C@]1(c2cnc(Sc3ccc(/C(C)=N/OCC#N)cc3)s2)CCO[C@@H](C)C1	ZINC000028760815	HJ	Annotated	Mild	
C/C(=N\OCC(=O)O)c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1	ZINC000028762135	HJ	Annotated	Mild	
Oc1c(Cc2ccc3c(c2)OCO3)c(C(F)(F)F)nn1Cc1ccccc1Cl	ZINC000028765583	HJ	Annotated	Anodyne	
Oc1c(Cc2ccc3c(c2)OCO3)c(C(F)(F)F)nn1Cc1cccc(Cl)c1	ZINC000028765972	HJ	Annotated	Anodyne	
COCc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1	ZINC000028769241	HJ	Annotated	Anodyne	
CN[C@@H](c1c(Cl)cc(O)cc1Cl)[C@H](NC)c1c(Cl)cc(O)cc1Cl	ZINC000028769461	HJ	Annotated	Anodyne	
CN[C@@H](c1c(Cl)cc(O)cc1Cl)[C@@H](NC)c1c(Cl)cc(O)cc1Cl	ZINC000028769463	HJ	Annotated	Anodyne	
CN[C@H](c1c(Cl)cc(O)cc1Cl)[C@H](NC)c1c(Cl)cc(O)cc1Cl	ZINC000028769465	HJ	Annotated	Anodyne	
CC(C)=CC[C@H](OC(=O)CCCCC(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O	ZINC000028771370	HJ	Annotated	Mild	
CC(C)=CC[C@@H](OC(=O)CCCCC(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O	ZINC000028771373	HJ	Annotated	Mild	
CN(C)CC(=O)N1c2ccccc2N2CCc3cccc(c32)[C@@H]1CCc1ccccc1	ZINC000028771693	HJ	Annotated	Anodyne	
CN(C)CC(=O)N1c2ccccc2N2CCc3cccc(c32)[C@H]1CCc1ccccc1	ZINC000028771696	HJ	Annotated	Anodyne	
COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC/C=C/c3ccccc3)C4)c2c1	ZINC000028817528	HJ	Annotated	Anodyne	
COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC/C=C/c3ccccc3)C4)c2c1	ZINC000028817529	HJ	Annotated	Anodyne	
CC(C)(O)c1[nH]c2cc(C(F)(F)F)c(Cl)cc2c1I	ZINC000028818442	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)c(-c1ccccc1)[n+](Cc1ccc(C(=O)O)cc1)c1cc(N)ccc21	ZINC000028821306	HJ	Annotated	Bother	
CN(c1ccccc1)c1nc(-c2cc(Br)ccc2F)nc2nccnc12	ZINC000028822253	HJ	Annotated	Anodyne	
COC1=C(c2cc(Cl)cc(Cl)c2)C(=O)N2CCC[C@@]12Cc1ccc(C#N)cc1	ZINC000028822391	HJ	Annotated	Mild	
COc1ccc2cc([C@@H](C)c3nnc4sc(-c5ccccc5N)nn34)ccc2c1	ZINC000028823128	HJ	Annotated	Anodyne	
COc1ccc2cc([C@H](C)c3nnc4sc(-c5ccccc5N)nn34)ccc2c1	ZINC000028823129	HJ	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)N(CC2CCCCC2)c2cc(Cl)ccc2CO)cc1	ZINC000028823148	HJ	Annotated	Anodyne	
CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1	ZINC000028823168	HJ	Annotated	Anodyne	
CCC[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1	ZINC000028823169	HJ	Annotated	Anodyne	
C[C@@H](CCCF)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1	ZINC000028823212	HJ	Annotated	Anodyne	
C[C@H](CCCF)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1	ZINC000028823213	HJ	Annotated	Anodyne	
C/C=C/[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1	ZINC000028823236	HJ	Annotated	Anodyne	
C/C=C/[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1	ZINC000028823237	HJ	Annotated	Anodyne	
C=CC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1	ZINC000028823243	HJ	Annotated	Mild	
COc1ccc(C2=NN[C@@]3(S2)C(=O)N(c2ccccc2C)c2ccc(C)cc23)cc1	ZINC000028824772	HJ	Annotated	Clean	
COc1ccc(C2=NN[C@]3(S2)C(=O)N(c2ccccc2C)c2ccc(C)cc23)cc1	ZINC000028824773	HJ	Annotated	Clean	
CCCC(=O)OC(CC1CC[N+]2(CCCC2)CC1)CC1CC[N+]2(CCCC2)CC1	ZINC000028824996	HJ	Annotated	Bother	
CNCc1cc(C#CCCN2CCSCC2)ccc1Oc1ccc(SC)cc1	ZINC000028825138	HJ	Annotated	Mild	
O=C(O)C#Cc1ccc(-c2cc3c(c(C45CC6CC(CC(C6)C4)C5)c2)OCO3)cc1	ZINC000028825697	HJ	Annotated	Mild	
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(C[C@@H]2CCCNC2)ccc1Cl	ZINC000028825943	HJ	Annotated	Anodyne	
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(C[C@H]2CCCNC2)ccc1Cl	ZINC000028825944	HJ	Annotated	Anodyne	
O[C@H]1/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)N2CCC1CC2	ZINC000028826441	HJ	Annotated	Anodyne	
O[C@@H]1/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)N2CCC1CC2	ZINC000028826442	HJ	Annotated	Anodyne	
COc1ccc(S(=O)(=O)Oc2c3ccccc3cc3sccc23)cc1OC	ZINC000028826829	HJ	Annotated	Anodyne	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1c2ccccc2cc2sccc12	ZINC000028826866	HJ	Annotated	Bother	
C=C(C)CCC[C@]1(C)C2=C(CC[C@H]1C)[C@@]1(C)CC[C@@H]2[C@@](O)(C2=CC(=O)O[C@@H]2O)C1	ZINC000028826872	HJ	Annotated	Mild	
C=C(C)CCC[C@]1(C)C2=C(CC[C@H]1C)[C@]1(C)CC[C@H]2[C@@](O)(C2=CC(=O)O[C@@H]2O)C1	ZINC000028826873	HJ	Annotated	Mild	
CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(CC)CC)s1	ZINC000028827416	HJ	Annotated	Anodyne	
CCOc1ccc(CSc2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)cc1	ZINC000028862844	HJ	Annotated	Anodyne	
Cc1c(Cc2c(F)cccc2F)nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O	ZINC000028862926	HJ	Annotated	Anodyne	
COc1ccc(/C=C/CSc2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)cc1	ZINC000028862961	HJ	Annotated	Anodyne	
Cc1nc(N2CCCC2)ncc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1	ZINC000028863053	HJ	Annotated	Anodyne	
CN(C)Cc1ccc(Nc2cc(-c3ccc(-c4ccc(O)cc4O)cc3)[nH]n2)cc1	ZINC000028868341	HJ	Annotated	Anodyne	
Nc1ccc(-n2nc(-c3ccc(Oc4ccccc4)cc3)cc2N2CCOCC2)cc1	ZINC000028869260	HJ	Annotated	Clean	
CCCCC[C@H](O)[C@H](O)/C=C/c1ccccc1[C@@H](O)CCCC(=O)OC(C)(C)C	ZINC000028869289	HJ	Annotated	Anodyne	
CN(C)Cc1cc(OCCCF)ccc1Sc1ccc(Br)cc1N	ZINC000028870439	HJ	Annotated	Anodyne	
CCN(CCCCOCC(=O)O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1	ZINC000028871610	HJ	Annotated	Anodyne	
C=CCN(CCCCOCC(=O)O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1	ZINC000028871615	HJ	Annotated	Mild	
O=C(O)COCCCCN(c1cnc(-c2ccccc2)c(-c2ccccc2)n1)C1CC1	ZINC000028871629	HJ	Annotated	Anodyne	
C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C/C(=C/c2ccccc2)OC1=O	ZINC000028874042	HJ	Annotated	Mild	
Cc1cc(I)c2ncc(CSCCc3ccccc3)n2c1	ZINC000028877311	HJ	Annotated	Anodyne	
Cc1cc(I)cn2c(CSCCc3ccccc3)cnc12	ZINC000028877320	HJ	Annotated	Anodyne	
COC(=O)[C@H](C)NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br	ZINC000028878271	HJ	Annotated	Anodyne	
O=C1C(Sc2ccc(F)cc2)=C(Sc2ccc(F)cc2)C(=O)c2cnncc21	ZINC000028881394	HJ	Annotated	Mild	
CCN(CC)CCCOc1cc2c(cn1)[C@H](c1ccc(Cl)c(Cl)c1)CNC2	ZINC000028883535	HJ	Annotated	Anodyne	
CCN(CC)CCCOc1cc2c(cn1)[C@@H](c1ccc(Cl)c(Cl)c1)CNC2	ZINC000028883540	HJ	Annotated	Anodyne	
CCCCCCN1CCC(N2C[C@@H](c3ccnc4ccc(OC)cc34)OC2=O)CC1	ZINC000028893454	HJ	Annotated	Anodyne	
CCCCCCN1CCC(N2C[C@H](c3ccnc4ccc(OC)cc34)OC2=O)CC1	ZINC000028893501	HJ	Annotated	Anodyne	
CSc1ccc(-c2cnccc2[C@@H]2CCC(F)(F)C[C@@H]2C(=O)NCC#N)cc1	ZINC000028897943	HJ	Annotated	Mild	
CSc1ccc(-c2cnccc2[C@H]2CCC(F)(F)C[C@@H]2C(=O)NCC#N)cc1	ZINC000028897948	HJ	Annotated	Mild	
CSc1ccc(-c2cnccc2[C@H]2CCC(F)(F)C[C@H]2C(=O)NCC#N)cc1	ZINC000028897953	HJ	Annotated	Mild	
CSc1ccc(-c2ncccc2[C@@H]2CCC(F)(F)C[C@@H]2C(=O)NCC#N)cc1	ZINC000028897958	HJ	Annotated	Mild	
CSc1ccc(-c2ncccc2[C@H]2CCC(F)(F)C[C@@H]2C(=O)NCC#N)cc1	ZINC000028897963	HJ	Annotated	Mild	
CSc1ccc(-c2ncccc2[C@H]2CCC(F)(F)C[C@H]2C(=O)NCC#N)cc1	ZINC000028897967	HJ	Annotated	Mild	
CN(C)Cc1ccc(/C=C2\NC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1	ZINC000028899238	HJ	Annotated	Anodyne	
Cc1ccc(-c2ncc(C(=O)N[C@@H](CO)CC(C)C)nc2-c2ccc(C)cc2)cc1	ZINC000028900296	HJ	Annotated	Anodyne	
Cc1ccc(-c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3CO)nc2-c2ccc(C)cc2)cc1	ZINC000028900409	HJ	Annotated	Anodyne	
Cc1ccc(-c2ncc(C(=O)N[C@@H]3CCCC[C@H]3CO)nc2-c2ccc(C)cc2)cc1	ZINC000028900413	HJ	Annotated	Anodyne	
CC[N+](C)(CC)CCCC(=O)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13	ZINC000028902734	HJ	Annotated	Bother	
Cc1cc(Cl)ccc1-n1c(SCC#N)nc2sc3c(c2c1=O)CCCC3	ZINC000028948885	HJ	Annotated	Mild	
CSc1nc2sc3c(c2c(=O)n1-c1ccc(Br)cc1)CCCC3	ZINC000028948895	HJ	Annotated	Anodyne	
CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC(F)(F)F)cc1)CCCC3	ZINC000028948921	HJ	Annotated	Anodyne	
CN(C)c1cc(/C=C/c2cccc(/C=C/c3ccc(O)c(N(C)C)c3)n2)ccc1O	ZINC000028948982	HJ	Annotated	Anodyne	
CN(C)c1ccc(/C=C/c2cccc(/C=C/c3ccc(N(C)C)c(O)c3)n2)cc1O	ZINC000028948993	HJ	Annotated	Clean	
CC(C)C(=O)OCOP(=O)(Cc1cccc2ccccc12)OCOC(=O)C(C)C	ZINC000028950488	HJ	Annotated	Anodyne	
COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2c2ccc(CC#N)s2)cc1	ZINC000028950912	HJ	Annotated	Mild	
COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2c2ccc(CC#N)s2)cc1	ZINC000028950914	HJ	Annotated	Mild	
COc1ccc2c(C)cc(N[C@H]3CC[C@H](NCc4cn(C)c5cccnc45)C3)nc2c1	ZINC000028951158	HJ	Annotated	Anodyne	
COCc1cccc2c1nc(Cn1c(=O)n(C(C)C)c3ccccc31)n2CCC(C)C	ZINC000028952142	HJ	Annotated	Anodyne	
CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2c(CC#N)cccc21	ZINC000028952146	HJ	Annotated	Mild	
CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(C#N)ccc21	ZINC000028952159	HJ	Annotated	Mild	
CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(CC#N)ccc21	ZINC000028952168	HJ	Annotated	Mild	
C=C(C)n1c(=O)n(Cc2nc3cc(C(C)=O)ccc3n2CCC(C)C)c2ccccc21	ZINC000028952177	HJ	Annotated	Mild	
CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(C(=O)O)ccc21	ZINC000028952190	HJ	Annotated	Anodyne	
CNCc1ccc2c(c1)nc(Cn1c(=O)n(C(C)C)c3ccccc31)n2CCC(C)C	ZINC000028952212	HJ	Annotated	Anodyne	
CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2ccc(C#N)cc21	ZINC000028952235	HJ	Annotated	Mild	
CNCc1ccc2nc(Cn3c(=O)n(C(C)C)c4ccccc43)n(CCC(C)C)c2c1	ZINC000028952240	HJ	Annotated	Anodyne	
c1ccc(Sc2nc(Sc3ccccn3)nc(Sc3ccccn3)n2)nc1	ZINC000028952873	HJ	Annotated	Anodyne	
CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCCN1CCCC1)c1ccccc1	ZINC000028953438	HJ	Annotated	Anodyne	
CC(=O)C1=NN(c2cc(F)ccc2F)C[C@]1(CCCN1CCCC1)c1ccccc1	ZINC000028953440	HJ	Annotated	Anodyne	
O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)N(CC1CC1)[C@H](c1ccccc1)CO3	ZINC000028953810	HJ	Annotated	Anodyne	
O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)N(CC1CC1)[C@@H](c1ccccc1)CO3	ZINC000028953812	HJ	Annotated	Anodyne	
O[C@@](CSCC(F)(F)F)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F	ZINC000028954274	HJ	Annotated	Anodyne	
O[C@](CSCC(F)(F)F)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F	ZINC000028954275	HJ	Annotated	Anodyne	
COCCn1c(C)c(C(C)(C)C)s/c1=N\C(=O)c1cccc(C(F)(F)F)c1	ZINC000028954345	HJ	Annotated	Anodyne	
CCOCCn1c(C)c(C(C)(C)C)s/c1=N\C(=O)c1cccc(C(F)(F)F)c1	ZINC000028954347	HJ	Annotated	Anodyne	
NCCCc1cc2c(-c3ccccc3F)c[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12	ZINC000028956005	HJ	Annotated	Bother	
NCCCc1cc2c(-c3ccc(F)cc3)c[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12	ZINC000028956037	HJ	Annotated	Bother	
CC(C)[C@H](COCC1CCN(C(C)C)CC1)NC(=O)c1ccc2c(Cl)c[nH]c2c1	ZINC000028957745	HJ	Annotated	Anodyne	
Cc1ccc(-c2ccc(OCCN(C)CC(=O)O)c(C(=O)c3cccs3)c2)cc1C	ZINC000028958302	HJ	Annotated	Anodyne	
Clc1ccccc1-c1cc(NCc2cccnc2)n2ncc(Br)c2n1	ZINC000028958940	HJ	Annotated	Anodyne	
Cc1nn(-c2cccc(CN)c2)c2c(F)c(-c3ccc(N4CCCC4=O)cc3)ccc12	ZINC000028964139	HJ	Annotated	Anodyne	
Cc1nn(-c2cccc(CN)c2)c2cc(-c3ccc(N4CCCCC4=O)cc3)ccc12	ZINC000028964196	HJ	Annotated	Anodyne	
C=C1CC/C=C(\C)CC[C@@H]2C([C@H](C[C@@H]3OC3(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12	ZINC000028965603	HJ	Annotated	Mild	
C=C1CC/C=C(\C)CC[C@@H]2C([C@@H](C[C@@H]3OC3(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12	ZINC000028965607	HJ	Annotated	Mild	
C=C1CC/C=C(\C)CC[C@@H]2C([C@H](C[C@H]3OC3(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12	ZINC000028965610	HJ	Annotated	Mild	
C=C1CC/C=C(\C)CC[C@@H]2C([C@@H](C[C@H]3OC3(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12	ZINC000028965615	HJ	Annotated	Mild	 
C=C1CC/C=C(\C)CC[C@H](/C(=C\C=C\C(C)(C)O)COC(C)=O)[C@H]1C(OC)OC	ZINC000028965625	HJ	Annotated	Mild	
CC[C@H]1CC2(C[C@@H](CC)N1)C(=O)N(CCCc1ccccc1)C(=O)N2c1ccccc1	ZINC000028971304	HJ	Annotated	Anodyne	
C/C(=N\OCC1CCCCC1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F	ZINC000028976904	HJ	Annotated	Mild	
CC/C(=N\OCC1CCCC1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F	ZINC000028976930	HJ	Annotated	Mild	
CC/C(=N\Oc1ccc(F)cc1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F	ZINC000028977184	HJ	Annotated	Mild	
C/C(=N\Oc1ccc(F)cc1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F	ZINC000028977223	HJ	Annotated	Mild	
C[C@@]1(c2ccc(O)c(Br)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O	ZINC000028978589	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(O)c(Br)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O	ZINC000028978592	HJ	Annotated	Anodyne	
COc1ccc(-n2cc(-c3cc(OC)c(OC)c(OC)c3)[nH]c2=S)cc1Cl	ZINC000029038192	HJ	Annotated	Anodyne	
Cn1c2c(c3cc(O)ccc31)[C@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)CCC2	ZINC000029040490	HJ	Annotated	Anodyne	
Cn1c2c(c3cc(O)ccc31)[C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)CCC2	ZINC000029040492	HJ	Annotated	Anodyne	
C[C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(O)c2ccc(O)cc12	ZINC000029040494	HJ	Annotated	Anodyne	
C[C@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(O)c2ccc(O)cc12	ZINC000029040496	HJ	Annotated	Anodyne	
O=C(NC[C@@H]1CCCc2[nH]c3ccc(O)cc3c21)c1ccc(OC(F)(F)F)cc1	ZINC000029040701	HJ	Annotated	Anodyne	
O=C(NC[C@H]1CCCc2[nH]c3ccc(O)cc3c21)c1ccc(OC(F)(F)F)cc1	ZINC000029040703	HJ	Annotated	Anodyne	
O=C1C=C(Oc2ccc(Br)cc2Br)C(=O)c2ccccc21	ZINC000029041191	HJ	Annotated	Mild	
CC(=O)O[C@H]1C(C)=C(CC/C(C)=C/CO)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1OC(C)=O	ZINC000029042034	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1/C(C)=C/CC/C(C)=C/[C@H](O)C/C(C)=C\C=C(/C(C)C)[C@H]1OC(C)=O	ZINC000029042106	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1/C(C)=C/C[C@H](O)/C(C)=C/CC/C(C)=C\C=C(/C(C)C)[C@H]1OC(C)=O	ZINC000029042133	HJ	Annotated	Anodyne	
CC(=O)O[C@H]1/C=C(\C)CC[C@H](O)[C@@](C)(SC#N)CC[C@@H](C(C)C)/C=C/[C@@](C)(O)C1	ZINC000029042313	HJ	Annotated	Reactive	 
C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(c2ccccc2)CC1	ZINC000029042958	HJ	Annotated	Bother	
COc1ccccc1NC(=S)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1O	ZINC000029045225	HJ	Annotated	Clean	
C[C@@](C#N)(COc1ccccc1Cl)NC(=O)c1ccc(C(F)(F)F)cc1F	ZINC000029045958	HJ	Annotated	Mild	
C[C@](C#N)(COc1ccccc1Cl)NC(=O)c1ccc(C(F)(F)F)cc1F	ZINC000029045961	HJ	Annotated	Mild	
O=C1C(Cl)=C(Sc2ccc(Cl)cc2)C(=O)c2[nH]c(-c3ccccn3)nc21	ZINC000029047724	HJ	Annotated	Mild	
Fc1cc2nc(SCc3cccc(Cl)c3Cl)[nH]c2cc1N1CCNCC1	ZINC000029050614	HJ	Annotated	Anodyne	
CC1(CN2C(=O)S[C@@H](Cc3ccc(O)c(C(F)(F)F)c3)C2=O)CCCCC1	ZINC000029052698	HJ	Annotated	Anodyne	
CC1(CN2C(=O)S[C@H](Cc3ccc(O)c(C(F)(F)F)c3)C2=O)CCCCC1	ZINC000029052703	HJ	Annotated	Anodyne	
O=c1on(C(=S)Nc2ccc(F)cc2)c(-c2ccncc2)c1-c1ccc(F)cc1	ZINC000029054749	HJ	Annotated	Anodyne	
CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4F)c3)c2C1	ZINC000029054799	HJ	Annotated	Anodyne	
CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4F)c3)c2C1	ZINC000029054802	HJ	Annotated	Anodyne	
O=[N+]([O-])OCCCCCCCCCCCn1cnc2c(N3CCCCC3)ncnc21	ZINC000029059653	HJ	Annotated	Anodyne	
c1ccc(Nc2n[n+](-c3ccccc3)c(CCc3ccc4c(c3)OCO4)s2)cc1	ZINC000029063528	HJ	Annotated	Anodyne	
CCc1cc(-c2ccc(C(=O)CCC(=O)NCc3cccnc3)c(C)c2)ccc1O	ZINC000029123298	HJ	Annotated	Anodyne	
Oc1c(Cl)cc2c(c1Cl)CN(C(=S)NCCc1ccc(Cl)cc1)CC2	ZINC000029123760	HJ	Annotated	Anodyne	
Cn1c(C(C)(C)C)c/c(=N\C(=O)c2cccc(C(F)(F)F)c2F)n1CC1CCC1	ZINC000029124476	HJ	Annotated	Anodyne	
CCCCc1ccc(/N=c2/scc(CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1	ZINC000029124608	HJ	Annotated	Bother	
CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(C#N)c(Cl)c3)n2C)cc1	ZINC000029124650	HJ	Annotated	Mild	
CN(C(=O)Cc1cs/c(=N\c2ccc(C(F)(F)F)cc2)n1C)c1ccccc1	ZINC000029124748	HJ	Annotated	Anodyne	
CN(C(=O)Cc1cs/c(=N\c2cc(Cl)cc(Cl)c2)n1C)c1ccccc1	ZINC000029124793	HJ	Annotated	Anodyne	
CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(Cl)cc3F)n2C)cc1	ZINC000029124799	HJ	Annotated	Anodyne	
CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(F)cc3Cl)n2C)cc1	ZINC000029124800	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)Cc2cs/c(=N/c3ccc(Br)cc3)n2C)cc1	ZINC000029125085	HJ	Annotated	Anodyne	
CCOc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(F)c(Cl)c3)n2C)cc1	ZINC000029125189	HJ	Annotated	Anodyne	
CCCCOc1ccc(NC(=O)Cc2cs/c(=N\c3cccc(F)c3)n2C)cc1	ZINC000029125281	HJ	Annotated	Anodyne	
COc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(Cl)c(Cl)c3)n2C)cc1	ZINC000029125303	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2	ZINC000029125429	HJ	Annotated	Bother	
Clc1cccc(-n2cnnc2NCc2cccnc2Oc2cccnc2)c1Cl	ZINC000029126365	HJ	Annotated	Anodyne	
Clc1cccc(-n2ncnc2NCc2cccnc2Oc2cccnc2)c1Cl	ZINC000029126454	HJ	Annotated	Anodyne	
Cc1cc(NC(=O)C(=O)c2cc(Cc3ccc(Cl)cc3)n3ccccc23)sn1	ZINC000029126644	HJ	Annotated	Anodyne	
O[C@@H]1COc2c(Cl)ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2C1	ZINC000029127268	HJ	Annotated	Anodyne	
O[C@H]1COc2c(Cl)ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2C1	ZINC000029127269	HJ	Annotated	Anodyne	
O[C@@H]1CCc2cc(F)cc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2C1	ZINC000029127328	HJ	Annotated	Anodyne	
O[C@H]1CCc2cc(F)cc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2C1	ZINC000029127329	HJ	Annotated	Anodyne	
Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(Br)c(C)[nH]c12	ZINC000029128226	HJ	Annotated	Anodyne	
COc1cc(N[C@@H](C)CCCN2C(=O)[C@H](C)NC23CCC(C)CC3)c2ncccc2c1	ZINC000029129074	HJ	Annotated	Anodyne	
COc1cc(N[C@H](C)CCCN2C(=O)[C@H](C)NC23CCC(C)CC3)c2ncccc2c1	ZINC000029129075	HJ	Annotated	Anodyne	
COc1noc2c(C)cc(/C(=C\CCc3nnc(C)o3)c3ccc(C#N)cc3)cc12	ZINC000029129151	HJ	Annotated	Mild	
COc1noc2c(C)cc(/C(=C\CCc3nnc(C)o3)c3cccc(C#N)c3)cc12	ZINC000029129154	HJ	Annotated	Mild	
Cc1ccc([C@@H]2[C@@H]([C@H](O)CCc3ccccc3)OC(=O)N2c2cccc(F)c2)c(O)c1	ZINC000029129190	HJ	Annotated	Clean	
COc1noc2c(C)cc(/C(=C/CCc3nnc(C)o3)c3cccc(C#N)c3)cc12	ZINC000029129193	HJ	Annotated	Mild	
O=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccccc1F	ZINC000029129305	HJ	Annotated	Anodyne	
O=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1cccc(F)c1	ZINC000029129309	HJ	Annotated	Anodyne	
O=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2ccccc2O)N1c1ccc(F)cc1	ZINC000029129484	HJ	Annotated	Clean	
O=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2cccc(O)c2)N1c1ccc(F)cc1	ZINC000029129489	HJ	Annotated	Anodyne	
O=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1	ZINC000029129568	HJ	Annotated	Anodyne	
Fc1ccccc1-[n+]1nc(-c2ccc(OCc3ccccc3)cc2)nn1-c1ccccc1	ZINC000029130791	HJ	Annotated	Anodyne	
Fc1ccc(-[n+]2nc(-c3ccc(OCc4ccccc4)cc3)nn2-c2ccccc2)cc1	ZINC000029130957	HJ	Annotated	Anodyne	
CCCCc1cn(C[C@H]2CN(c3ccc4c(c3)Oc3ccccc3O4)C(=O)O2)nn1	ZINC000029131077	HJ	Annotated	Anodyne	
c1ccc(COc2ccc(-n3nc(-c4ccccc4)n[n+]3-c3ccccc3)cc2)cc1	ZINC000029131184	HJ	Annotated	Anodyne	
c1ccc(COc2ccc(-c3nn(-c4ccccc4)[n+](-c4ccccc4)n3)cc2)cc1	ZINC000029131623	HJ	Annotated	Anodyne	
O=C(CCCc1ccc(Cl)cc1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1	ZINC000029131703	HJ	Annotated	Clean	
CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)OC[C@H](C)[C@@H]4OCC)O[C@H](C)CC3=O	ZINC000029132912	HJ	Annotated	Anodyne	
CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)OC[C@H](C)[C@@H]4OCC)O[C@@H](C)CC3=O	ZINC000029132914	HJ	Annotated	Anodyne	
CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)OC[C@H](C)[C@H]4OCC)O[C@H](C)CC3=O	ZINC000029132916	HJ	Annotated	Anodyne	
CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)OC[C@H](C)[C@H]4OCC)O[C@@H](C)CC3=O	ZINC000029132918	HJ	Annotated	Anodyne	
Cc1cn2c(/C=N/Nc3ccccn3)c(-c3ccc(Cl)c([N+](=O)[O-])c3)nc2s1	ZINC000029133386	HJ	Annotated	Mild	
Cn1c2cc(=NC(=O)C(F)(F)F)ccc-2c2cccc3c2c1c1ccccc1n3C	ZINC000029135470	HJ	Annotated	Anodyne	 
O=C1Nc2ccc(Cl)cc2[C@](C#CC2CC2)(C(F)(F)F)O[C@H]1CC(F)(F)F	ZINC000029203766	HJ	Annotated	Mild	
O=C1Nc2ccc(Cl)cc2[C@](C#CC2CC2)(C(F)(F)F)O[C@@H]1CC(F)(F)F	ZINC000029203771	HJ	Annotated	Mild	
O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O[C@@H]1CC(F)(F)F	ZINC000029203775	HJ	Annotated	Mild	
CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn([C@H](C)CO)c1=O	ZINC000029208070	HJ	Annotated	Anodyne	
O=c1c(-c2cccc(Cl)c2)c(-c2ccccc2)c(-c2ccccc2)nn1CCO	ZINC000029209175	HJ	Annotated	Anodyne	
CC[N+](C)(CC)CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21	ZINC000029214101	HJ	Annotated	Bother	
COP(=O)(OC)O[C@@H](C(C)(C)c1ccc(Cl)cc1)P(=O)(OC)OC	ZINC000029222391	HJ	Annotated	Anodyne	
COP(=O)(OC)O[C@H](C(C)(C)c1ccc(Cl)cc1)P(=O)(OC)OC	ZINC000029222396	HJ	Annotated	Anodyne	
COP(=O)(OC)C(O)(C(C)(C)Cc1ccc(Cl)cc1)P(=O)(OC)OC	ZINC000029222606	HJ	Annotated	Anodyne	
CCOP(=O)(Cc1ccc(-c2nc3cccc(F)c3c(=O)n2C)cc1)OCC	ZINC000029224636	HJ	Annotated	Anodyne	
CSc1c(Cl)nc(NCc2ccc(C(C)(C)C)cc2)nc1N1CCN(C)CC1	ZINC000029231563	HJ	Annotated	Anodyne	
Cc1cc(NC(=O)c2c(C(F)(F)F)nc3c(C(F)(F)F)cccc3c2O)no1	ZINC000029239497	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)-c1cc(Nc3c(Cl)cccc3Cl)nc(=O)n1CC2	ZINC000029241093	HJ	Annotated	Anodyne	
Cc1cccc(Cc2nc(SC3CCCCC3)nc(N/N=C(/N)S)c2C)c1	ZINC000029241523	HJ	Annotated	Mild	
Cc1ccc(/C=C2\CS(=O)(=O)C[C@H]3C2=NN(CC2CC2)[C@@H]3c2ccc(C)cc2)cc1	ZINC000029248992	HJ	Annotated	Anodyne	
Cc1ccc(/C=C2\CS(=O)(=O)C[C@@H]3C2=NN(CC2CC2)[C@@H]3c2ccc(C)cc2)cc1	ZINC000029248998	HJ	Annotated	Anodyne	
Cc1ccc(/C=C2\CS(=O)(=O)C[C@H]3C2=NN(CC2CC2)[C@H]3c2ccc(C)cc2)cc1	ZINC000029249005	HJ	Annotated	Anodyne	
Cc1ccc(/C=C2\CS(=O)(=O)C[C@@H]3C2=NN(CC2CC2)[C@H]3c2ccc(C)cc2)cc1	ZINC000029249011	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)-c1cc(Nc3c(C)cccc3C(C)(C)C)nc(=O)n1CC2	ZINC000029249959	HJ	Annotated	Anodyne	
CCc1cccc(C(C)C)c1Nc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2	ZINC000029250483	HJ	Annotated	Anodyne	
CCCN1N=C2/C(=C/c3ccccc3C)CS(=O)(=O)C[C@H]2[C@@H]1c1ccccc1C	ZINC000029254158	HJ	Annotated	Anodyne	
CCCN1N=C2/C(=C/c3ccccc3C)CS(=O)(=O)C[C@@H]2[C@@H]1c1ccccc1C	ZINC000029254165	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)-c1cc(Nc3ccc(Cl)cc3Cl)nc(=O)n1CC2	ZINC000029306645	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)-c1cc(Nc3c(C)cccc3C(C)C)nc(=O)n1CC2	ZINC000029310138	HJ	Annotated	Anodyne	
COc1c(OC)c(OC(C)=O)c2c(Sc3ccccc3)cccc2c1OC(C)=O	ZINC000029310955	HJ	Annotated	Anodyne	
CCCN1N=C2/C(=C/c3ccc(C)cc3)CS(=O)(=O)C[C@H]2[C@@H]1c1ccc(C)cc1	ZINC000029311937	HJ	Annotated	Anodyne	
CCCN1N=C2/C(=C/c3ccc(C)cc3)CS(=O)(=O)C[C@@H]2[C@@H]1c1ccc(C)cc1	ZINC000029311942	HJ	Annotated	Anodyne	
Cc1oc(C2CCCCC2)nc1Cc1cc2cc(C[C@@H]3OC(=O)NC3=O)ccc2o1	ZINC000029322433	HJ	Annotated	Anodyne	
Cc1oc(C2CCCCC2)nc1Cc1cc2cc(C[C@H]3OC(=O)NC3=O)ccc2o1	ZINC000029322438	HJ	Annotated	Anodyne	
Cc1sc(-c2ccccc2)nc1Cc1cc2cc(C[C@@H]3OC(=O)NC3=O)ccc2o1	ZINC000029329208	HJ	Annotated	Anodyne	
Cc1sc(-c2ccccc2)nc1Cc1cc2cc(C[C@H]3OC(=O)NC3=O)ccc2o1	ZINC000029329211	HJ	Annotated	Anodyne	
CN(C)CC#CCCC1(C(O)(c2ccccc2)c2ccccc2)SCCCS1	ZINC000029336660	HJ	Annotated	Mild	
CC[C@@H]1Cc2cc(OC(C)=O)c(OC(C)=O)cc2-c2cc3cc(OC(C)=O)ccc3n21	ZINC000029340955	HJ	Annotated	Anodyne	
CC[C@H]1Cc2cc(OC(C)=O)c(OC(C)=O)cc2-c2cc3cc(OC(C)=O)ccc3n21	ZINC000029340958	HJ	Annotated	Anodyne	
CCOC(=O)CCCOc1ccc(Oc2ccc(O)c(CN)c2)c(Cl)c1Cl	ZINC000029345786	HJ	Annotated	Clean	
CCOC(=O)CSc1ccc(Oc2ccc(O)c(CN)c2)c(Cl)c1Cl	ZINC000029346588	HJ	Annotated	Clean	
C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)C/C(OC(C)=O)=C(/CO)CCOC(C)=O	ZINC000029390793	HJ	Annotated	Mild	
C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)C/C(OC(C)=O)=C(/CO)CCOC(C)=O	ZINC000029390796	HJ	Annotated	Mild	
C=C1CCC[C@H]2[C@@](C)(C/C(OC(C)=O)=C(/CO)CCOC(C)=O)[C@H](C)CC[C@@]12C	ZINC000029390799	HJ	Annotated	Mild	
C=C1CCC[C@H]2[C@@](C)(C/C(OC(C)=O)=C(/CO)CCOC(C)=O)[C@@H](C)CC[C@@]12C	ZINC000029390802	HJ	Annotated	Mild	
O=C1N(CCCCCCOc2ccc(C(F)(F)F)cc2)CCN1c1ccncc1	ZINC000029395267	HJ	Annotated	Anodyne	
COc1ccc(OCCCCCCN2CCN(c3ccncc3)C2=O)c(Cl)c1	ZINC000029395386	HJ	Annotated	Anodyne	
CC(C)Oc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1C(F)(F)F	ZINC000029396433	HJ	Annotated	Anodyne	
C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)C/C(OC(C)=O)=C(\CCO)COC(C)=O	ZINC000029400176	HJ	Annotated	Mild	
C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)C/C(OC(C)=O)=C(\CCO)COC(C)=O	ZINC000029400179	HJ	Annotated	Mild	
C=C1CCC[C@H]2[C@@](C)(C/C(OC(C)=O)=C(\CCO)COC(C)=O)[C@H](C)CC[C@@]12C	ZINC000029400182	HJ	Annotated	Mild	
C=C1CCC[C@H]2[C@@](C)(C/C(OC(C)=O)=C(\CCO)COC(C)=O)[C@@H](C)CC[C@@]12C	ZINC000029400184	HJ	Annotated	Mild	
CC(=O)O[C@@H]1C/C(=C/C[C@]2(C)[C@@H]3CCC[C@@]4(CO4)[C@@]3(C)CC[C@H]2C)[C@@H](OC(C)=O)O1	ZINC000029400593	HJ	Annotated	Anodyne	 
CC(=O)O[C@@H]1C/C(=C/C[C@@]2(C)[C@@H](C)CC[C@@]3(C)[C@H]2CCC[C@@]32CO2)[C@@H](OC(C)=O)O1	ZINC000029400596	HJ	Annotated	Anodyne	 
CC(=O)O[C@@H]1C/C(=C/C[C@]2(C)[C@@H]3CCC[C@@]4(CO4)[C@]3(C)CC[C@H]2C)[C@@H](OC(C)=O)O1	ZINC000029400600	HJ	Annotated	Anodyne	 
CC(=O)O[C@@H]1C/C(=C/C[C@@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC[C@@]32CO2)[C@@H](OC(C)=O)O1	ZINC000029400604	HJ	Annotated	Anodyne	 
O=C1N(CCCCCCOc2ccc(Br)cc2)CCN1c1cccnc1	ZINC000029402198	HJ	Annotated	Anodyne	
COc1cc2sn(CCCCCCN3CC4CCC(CC4)C3)c(=O)c2cc1OC	ZINC000029402776	HJ	Annotated	Anodyne	
O=C1N(CCCCCCOc2ccc(Br)cc2)CCN1c1ccncc1	ZINC000029403338	HJ	Annotated	Anodyne	
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccc(F)cc2)O1	ZINC000029409173	HJ	Annotated	Anodyne	
O=C1C[C@H](O)C[C@H](CCc2c(Cl)cc(Cl)cc2OCc2ccc(F)cc2)O1	ZINC000029409176	HJ	Annotated	Anodyne	
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2cccc(F)c2)O1	ZINC000029411553	HJ	Annotated	Anodyne	
O=C1C[C@H](O)C[C@H](CCc2c(Cl)cc(Cl)cc2OCc2cccc(F)c2)O1	ZINC000029411556	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2nn(-c3c(Cl)cc(Cl)cc3Cl)c(=N)s2)cc1	ZINC000029411694	HJ	Annotated	Anodyne	
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2OCC2CCCCC2)O1	ZINC000029411770	HJ	Annotated	Anodyne	
O=C1C[C@H](O)C[C@H](CCc2c(Cl)cc(Cl)cc2OCC2CCCCC2)O1	ZINC000029411773	HJ	Annotated	Anodyne	
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2cccc(F)c2)O1	ZINC000029413136	HJ	Annotated	Anodyne	
O=C1C[C@H](O)C[C@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2cccc(F)c2)O1	ZINC000029413140	HJ	Annotated	Anodyne	
N=C(NCc1ccc(Cl)c(Cl)c1)NC(=N)Nc1ccc(Cl)cc1Cl	ZINC000029413303	HJ	Annotated	Anodyne	
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccccc2F)O1	ZINC000029413930	HJ	Annotated	Anodyne	
O=C1C[C@H](O)C[C@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccccc2F)O1	ZINC000029413934	HJ	Annotated	Anodyne	
O=C(O)Cc1cc(Br)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1	ZINC000029414165	HJ	Annotated	Anodyne	
CC[C@@H](C)C[C@H](C(=O)N/C=C\c1c[nH]c2ccccc12)N(C)Cc1ccc(O)cc1	ZINC000029415540	HJ	Annotated	Anodyne	
CC[C@@H](C)C[C@@H](C(=O)N/C=C\c1c[nH]c2ccccc12)N(C)Cc1ccc(O)cc1	ZINC000029415546	HJ	Annotated	Anodyne	
O=C(Nc1ccc2ncccc2c1)C(=O)c1cn(Cc2cscn2)c2ccccc12	ZINC000029417037	HJ	Annotated	Anodyne	
N=c1sc(-c2ccc([N+](=O)[O-])cc2)nn1-c1c(Cl)cc(Cl)cc1Cl	ZINC000029465913	HJ	Annotated	Bother	
CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(F)ccc12	ZINC000029466390	HJ	Annotated	Clean	
C[C@@H](OC(=O)c1c(F)cccc1F)c1cccc2nc3c(C(=O)O)cccc3nc12	ZINC000029467164	HJ	Annotated	Bother	
C[C@H](OC(=O)c1c(F)cccc1F)c1cccc2nc3c(C(=O)O)cccc3nc12	ZINC000029467166	HJ	Annotated	Bother	
CNc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3NC)c3ccccc3nc2c1	ZINC000029468765	HJ	Annotated	Clean	
CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc(OC)cc12	ZINC000029469546	HJ	Annotated	Clean	
CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc(C)cc12	ZINC000029469583	HJ	Annotated	Clean	
CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(C)ccc12	ZINC000029470774	HJ	Annotated	Clean	
CC(=O)Nc1ccc(-c2nn(-c3c(Cl)cc(Cl)cc3Cl)c(=N)s2)cc1	ZINC000029473240	HJ	Annotated	Anodyne	
CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(OC)cccc12	ZINC000029473302	HJ	Annotated	Clean	
c1ccc(Cn2cncc2CCNCC23CC(c4ccccc42)c2ccccc23)cc1	ZINC000029475275	HJ	Annotated	Anodyne	
CCCCC(=O)O/C(=C1\C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1	ZINC000029476812	HJ	Annotated	Anodyne	
O=c1c2ccccc2nc(/C=C/c2ccccn2)n1-c1ccccc1Br	ZINC000029476921	HJ	Annotated	Anodyne	
CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(F)cc2nc2c(C)cccc12	ZINC000029479472	HJ	Annotated	Clean	
CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(OC)ccc12	ZINC000029480912	HJ	Annotated	Clean	
CCOC1(OCC)[C@H]2c3ccccc3[C@H]([n+]3ccn(Cc4ccccc4)c32)C1(C)C	ZINC000029481236	HJ	Annotated	Anodyne	
Clc1ccc2c(c1)[C@]1(CN3CCC(Nc4ncccn4)CC3)C[C@H]2c2ccccc21	ZINC000029481287	HJ	Annotated	Anodyne	
N#Cc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1	ZINC000029481462	HJ	Annotated	Mild	
O=c1c2cc(F)ccc2nc(/C=C/c2ccccn2)n1-c1ccccc1Br	ZINC000029481708	HJ	Annotated	Anodyne	
COc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1	ZINC000029481718	HJ	Annotated	Anodyne	
O=Cc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1	ZINC000029482519	HJ	Annotated	Anodyne	
CS/C(=N\c1cccc([C@@H]2CN3CCSC3=N2)c1)Nc1ccc(C(C)=O)cc1	ZINC000029487390	HJ	Annotated	Mild	
CS/C(=N\c1cccc([C@H]2CN3CCSC3=N2)c1)Nc1ccc(C(C)=O)cc1	ZINC000029487393	HJ	Annotated	Mild	
CS/C(=N\c1cccc([C@@H]2CN3CCSC3=N2)c1)Nc1cccc([N+](=O)[O-])c1	ZINC000029489775	HJ	Annotated	Mild	
CS/C(=N\c1cccc([C@H]2CN3CCSC3=N2)c1)Nc1cccc([N+](=O)[O-])c1	ZINC000029489778	HJ	Annotated	Mild	
CS/C(=N\c1cccc([C@@H]2CN3CCSC3=N2)c1)Nc1ccc([N+](=O)[O-])cc1	ZINC000029545524	HJ	Annotated	Mild	
CS/C(=N\c1cccc([C@H]2CN3CCSC3=N2)c1)Nc1ccc([N+](=O)[O-])cc1	ZINC000029545527	HJ	Annotated	Mild	
O=C1Nc2ccc(I)cc2C1(c1ccccc1)c1ccccc1	ZINC000029547432	HJ	Annotated	Anodyne	
CC(=O)O[C@@H](c1ccn(S(=O)(=O)c2ccccc2)c1)c1ccc(Cl)cc1Cl	ZINC000029562678	HJ	Annotated	Anodyne	
CC(=O)O[C@H](c1ccn(S(=O)(=O)c2ccccc2)c1)c1ccc(Cl)cc1Cl	ZINC000029562682	HJ	Annotated	Anodyne	
CC(C)=CC[C@H](C(N)=O)N(Cc1ccc(C)cc1)Cc1cc(-c2ccccc2)on1	ZINC000029563024	HJ	Annotated	Anodyne	
CC(C)=CC[C@@H](C(N)=O)N(Cc1ccc(C)cc1)Cc1cc(-c2ccccc2)on1	ZINC000029563028	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1c1ccc2ccccc2n1)OCO3	ZINC000029568130	HJ	Annotated	Anodyne	
CCCCCC[C@@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1	ZINC000029571006	HJ	Annotated	Anodyne	
CCCCCC[C@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1	ZINC000029571008	HJ	Annotated	Anodyne	
N#Cc1cccc([C@H](O)[C@H]2CN(CCC3CCCCC3)CC[C@]2(O)c2ccccc2)c1	ZINC000299807434	HJ	Annotated	Mild	
COc1ccc([C@H]2C[C@]3(N4CCCC4)CC(=O)[C@@H]2[C@H](c2ccc(OC)cc2)C3)cc1	ZINC000299807811	HJ	Annotated	Anodyne	
N=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1cccc(C(=N)NC[C@@H]2C[C@H]2c2ccccc2)n1	ZINC000299808195	HJ	Annotated	Anodyne	
N=C(NC[C@H]1C[C@@H]1c1ccccc1)c1cccc(C(=N)NC[C@@H]2C[C@@H]2c2ccccc2)n1	ZINC000299808197	HJ	Annotated	Anodyne	
COc1cccc(C(=O)[C@@H]2C[C@@H]2CN(C)CC[C@H](O)c2ccc(Cl)c(Cl)c2)c1	ZINC000299809338	HJ	Annotated	Anodyne	
COc1cccc(C(=O)[C@@H]2C[C@H]2CN(C)CC[C@H](O)c2ccc(Cl)c(Cl)c2)c1	ZINC000299809341	HJ	Annotated	Anodyne	
COc1ccc([C@H]2C[C@]3(N4CCCC4)C[C@H](O)[C@@H]2[C@H](c2ccc(OC)cc2)C3)cc1	ZINC000299810108	HJ	Annotated	Anodyne	
COc1ccc([C@H]2C[C@]3(N4CCCC4)C[C@@H](O)[C@@H]2[C@H](c2ccc(OC)cc2)C3)cc1	ZINC000299810109	HJ	Annotated	Anodyne	
C[C@]12CC[C@@H]3[C@H](C=CC4=C(OC(=O)c5ccccc5)C(=O)C=C[C@]43C)[C@H]1CCC2=O	ZINC000299810379	HJ	Annotated	Mild	
C[C@@]12C=CC(=O)C(OC(=O)c3ccccc3)=C1C=C[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12	ZINC000299810380	HJ	Annotated	Mild	
C[C@]12C=CC(=O)C(OC(=O)c3ccccc3)=C1C=C[C@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@H]12	ZINC000299810381	HJ	Annotated	Mild	
O=[N+]([O-])c1ccc(-n2cccc2C=NNc2ncnc3sc4c(c23)CCCC4)cc1	ZINC000299811130	HJ	Annotated	Mild	
CO[C@@H]1CC[C@@H]2[C@H](O1)[C@@H]1C=C(/C=C/[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[C@@H]2O1	ZINC000299811313	HJ	Annotated	Mild	
CO[C@@H]1CC[C@H]2[C@H](O1)[C@@H]1C=C(/C=C/[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[C@@H]2O1	ZINC000299811314	HJ	Annotated	Mild	
CO[C@@H]1CC[C@@H]2[C@H]3O[C@@H](C=C3/C=C/[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[C@@H]2O1	ZINC000299811315	HJ	Annotated	Mild	
CC(=O)O[C@@H]1C/C(=C/C[C@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CCC[C@@]32CO2)[C@@H](OC(C)=O)O1	ZINC000299811433	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1C/C(=C/C[C@@]2(C)[C@@H]3CCC[C@]4(CO4)[C@]3(C)CC[C@H]2C)[C@@H](OC(C)=O)O1	ZINC000299811435	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1C/C(=C/C[C@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CCC[C@]32CO2)[C@@H](OC(C)=O)O1	ZINC000299811436	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1C/C(=C/C[C@@]2(C)[C@@H]3CCC[C@@]4(CO4)[C@]3(C)CC[C@H]2C)[C@@H](OC(C)=O)O1	ZINC000299811437	HJ	Annotated	Anodyne	
CO[C@@H]1CC[C@@H]2[C@H](O1)[C@@H]1O[C@@H]2C=C1/C=C/[C@H]1C(C)=CC(=O)[C@H]2C(C)(C)CCC[C@@]21C	ZINC000299811587	HJ	Annotated	Mild	
CO[C@@H]1CC[C@H]2[C@H](O1)[C@@H]1O[C@@H]2C=C1/C=C/[C@H]1C(C)=CC(=O)[C@H]2C(C)(C)CCC[C@@]21C	ZINC000299811588	HJ	Annotated	Mild	
CN(C)C12C[C@H](NCN3CCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2	ZINC000299811866	HJ	Annotated	Anodyne	
CN(C)[C@]12C[C@H](NCN3CCCC3)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2	ZINC000299811867	HJ	Annotated	Anodyne	
CN(C)[C@]12C[C@H](NCCN3CCCC3)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2	ZINC000299812029	HJ	Annotated	Anodyne	
CN(C)C12C[C@H](NCCN3CCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2	ZINC000299812030	HJ	Annotated	Anodyne	
CC1(C)C(=O)C=C[C@@]2(C)C1=C(O)C(=O)[C@@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@@]321	ZINC000299813315	HJ	Annotated	Mild	
CC1(C)C(=O)C=C[C@@]2(C)C1=C(O)C(=O)[C@@]1(C)[C@H]2CC[C@@]2(C)[C@@H](c3ccoc3)C[C@H]3O[C@@]321	ZINC000299813318	HJ	Annotated	Mild	
CC1(C)C(=O)C=C[C@@]2(C)C1=C(O)C(=O)[C@@]1(C)[C@H]2CC[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]312	ZINC000299813320	HJ	Annotated	Mild	
CC1(C)C(=O)C=C[C@@]2(C)C1=C(O)C(=O)[C@@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](c3ccoc3)C[C@H]3O[C@@]321	ZINC000299813323	HJ	Annotated	Mild	
C=C(C)[C@@H]1C[C@@]2(C)[C@H](C[C@@H](OC(=O)/C(C)=C\C)C[C@H]2C)[C@@H](OC(=O)/C(C)=C\C)[C@H]1O	ZINC000299814267	HJ	Annotated	Mild	
C=C(C)[C@@H]1C[C@@]2(C)[C@H](C[C@@H](OC(=O)/C(C)=C\C)C[C@H]2C)[C@@H](OC(=O)/C(C)=C\C)[C@@H]1O	ZINC000299814268	HJ	Annotated	Mild	
C=C(C)[C@@H]1C[C@@]2(C)[C@H](C[C@@H](OC(=O)/C(C)=C\C)C[C@H]2C)[C@H](OC(=O)/C(C)=C\C)[C@@H]1O	ZINC000299814269	HJ	Annotated	Mild	
C=C(C)[C@@H]1C[C@@]2(C)[C@H](C[C@@H](OC(=O)/C(C)=C\C)C[C@H]2C)[C@H](OC(=O)/C(C)=C\C)[C@H]1O	ZINC000299814270	HJ	Annotated	Mild	
COCCCN1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@@H]3[C@@H]2C1=O	ZINC000299814969	HJ	Annotated	Anodyne	
COCCCN1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@@H]2C1=O	ZINC000299814973	HJ	Annotated	Anodyne	
COCCCN1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@@H]3[C@H]2C1=O	ZINC000299814976	HJ	Annotated	Anodyne	
CC#C[C@@H]1[C@H](OC(=O)c2ccccc2)CCC[C@]1(CI)N=[N+]=[N-]	ZINC000299815451	HJ	Annotated	Reactive	
CC#C[C@@H]1[C@@H](OC(=O)c2ccccc2)CCC[C@]1(CI)N=[N+]=[N-]	ZINC000299815453	HJ	Annotated	Reactive	
O=C(Cn1c(CSc2ccccc2)nc2ccccc21)NN=Cc1cccc(F)c1	ZINC000299816888	HJ	Annotated	Reactive	
COc1ccc(Cl)cc1Nc1nc(-c2nnc(NC(=O)C(C)(C)C)o2)cs1	ZINC000299818909	HJ	Annotated	Anodyne	
C#CCNC(=O)c1cnc(Nc2ccc(C#N)cc2)cc1Oc1c(C)cc(C)cc1C	ZINC000299819210	HJ	Annotated	Mild	
COc1ccc(C2=C(c3ccc(O)cc3)[C@@H](CC(C)=O)Oc3cc(O)ccc32)cc1	ZINC000299820044	HJ	Annotated	Anodyne	
COc1ccc(C2=C(c3ccc(O)cc3)[C@H](CC(C)=O)Oc3cc(O)ccc32)cc1	ZINC000299820049	HJ	Annotated	Anodyne	
Oc1nc(CCc2ccccc2)cc(Nc2ccccc2)c1I	ZINC000299820259	HJ	Annotated	Anodyne	
COc1ccc(/C=C/[C@@]23C=C[C@@]4(OO2)C(C)(C)CCC[C@]4(C)O3)c(OC)c1OC	ZINC000299820467	HJ	Annotated	Reactive	
COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1cccc4ccccc14)[C@@H]23	ZINC000299820652	HJ	Annotated	Anodyne	
COc1ccc(-c2nc(C[S@@](=O)c3cccc(Cl)c3)nc3ccsc23)cn1	ZINC000299821627	HJ	Annotated	Anodyne	
COc1ccc(-c2nc(C[S@](=O)c3cccc(Cl)c3)nc3ccsc23)cn1	ZINC000299821631	HJ	Annotated	Anodyne	
Oc1nc(CCc2ccccc2)cc(Oc2ccccc2)c1I	ZINC000299821824	HJ	Annotated	Anodyne	
O=C(CSc1nnc(SCC(=O)c2cccc(F)c2)s1)c1cccc(F)c1	ZINC000299822322	HJ	Annotated	Anodyne	
Cc1cc(/C=C/c2cc(=O)oc3cc(O)c(Br)cc23)cc(C)c1[N+](=O)[O-]	ZINC000299822754	HJ	Annotated	Bother	
COc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3cc4c(cc23)OCO4)cn1	ZINC000299824477	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(F)cc2)c(-c2ccco2)c1	ZINC000299825382	HJ	Annotated	Anodyne	
Cc1cccc(-c2nnc(CSc3nnc(/N=C/c4ccccc4O)s3)o2)c1	ZINC000299825473	HJ	Annotated	Mild	
O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1Cl)N1CCc2ccccc21	ZINC000299825519	HJ	Annotated	Anodyne	
CN(C)c1ccc(/C=N\Nc2ncnc3scc(-c4ccc([N+](=O)[O-])cc4)c23)cc1	ZINC000299825549	HJ	Annotated	Mild	
CC(C)(O)/C=C/C[C@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3ccccc3O)cc(O)c2O1	ZINC000299825689	HJ	Annotated	Mild	
CC(C)(O)/C=C/C[C@@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3ccccc3O)cc(O)c2O1	ZINC000299825692	HJ	Annotated	Mild	
CC(=O)n1c2cccc(I)c2c2cc(-c3ccccc3)nnc21	ZINC000299827067	HJ	Annotated	Anodyne	
O=C(Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)s1)c1cccnc1	ZINC000299827155	HJ	Annotated	Bother	
Cc1ccc(N2C(=O)[C@@H](NC(=S)NC3CCCCC3)[C@H]2/C=C/c2ccccc2)cc1	ZINC000299827420	HJ	Annotated	Anodyne	
Cc1ccc(-c2nnc(CSc3nnc(/N=C/c4ccccc4O)s3)o2)cc1	ZINC000299827824	HJ	Annotated	Mild	
O=Cc1c(-c2cc3ccccc3oc2=O)nc2sc(Cc3ccc(Cl)cc3)nn12	ZINC000299827828	HJ	Annotated	Anodyne	
CC(=O)n1c2cccc(Br)c2c2cc(-c3ccc([N+](=O)[O-])cc3)nnc21	ZINC000299828232	HJ	Annotated	Bother	
Cc1ccc(NC(=O)c2[nH]cnc2C(=O)Nc2ccc(C)cc2-c2ccco2)cc1	ZINC000299828651	HJ	Annotated	Anodyne	
COc1cc(-c2cc3c4c(Cl)cccc4n(C(C)=O)c3nn2)cc(OC)c1OC	ZINC000299828947	HJ	Annotated	Anodyne	
COc1cc(-c2cc3cc(CBr)cc(C)c3oc2=O)cc(OC)c1OC	ZINC000299828979	HJ	Annotated	Reactive	
Cn1c2c(c3ccccc31)CCC(=O)N(c1ccc(Cl)cc1)[C@H]2C(=O)NC(C)(C)C	ZINC000299829199	HJ	Annotated	Anodyne	
C=C(C)[C@@H](O)CC[C@@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3ccccc3O)cc(O)c2O1	ZINC000299829212	HJ	Annotated	Mild	
Cn1c2c(c3ccccc31)CCC(=O)N(c1ccc(Cl)cc1)[C@@H]2C(=O)NC(C)(C)C	ZINC000299829213	HJ	Annotated	Anodyne	
C=C(C)[C@H](O)CC[C@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3ccccc3O)cc(O)c2O1	ZINC000299829216	HJ	Annotated	Mild	
C=C(C)[C@@H](O)CC[C@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3ccccc3O)cc(O)c2O1	ZINC000299829221	HJ	Annotated	Mild	
C=C(C)[C@H](O)CC[C@@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3ccccc3O)cc(O)c2O1	ZINC000299829225	HJ	Annotated	Mild	
CCC(=O)c1ccc2c(c1O)[C@H]1c3c(ccc4c(=O)c(C)coc34)OC[C@H]1C(C)(C)O2	ZINC000299829665	HJ	Annotated	Anodyne	
C=CCNC(=O)c1cnc(Nc2ccc(C#N)cc2)cc1Oc1c(C)cc(C#N)cc1C	ZINC000299829838	HJ	Annotated	Mild	
COc1cc(C(=O)c2ccn(-c3cccc(N4CCCCC4)c3)c2)cc(OC)c1OC	ZINC000299829912	HJ	Annotated	Anodyne	
O=C1c2ccccc2C(=O)c2cc3oc(SCc4cccc([N+](=O)[O-])c4)nc3cc21	ZINC000299830326	HJ	Annotated	Clean	
O=C1c2ccccc2C(=O)N1Nc1ncnc2scc(-c3ccc(Cl)cc3)c12	ZINC000299830332	HJ	Annotated	Anodyne	
O=C(Nc1ccc(F)c(F)c1)Nc1cc([C@@H]2CC2(F)F)nn1Cc1ccccc1	ZINC000299830364	HJ	Annotated	Anodyne	
O=C(Nc1ccc(F)c(F)c1)Nc1cc([C@H]2CC2(F)F)nn1Cc1ccccc1	ZINC000299830367	HJ	Annotated	Anodyne	
Cc1ccccc1-c1nnc(CSc2nnc(/N=C/c3ccccc3O)s2)o1	ZINC000299830410	HJ	Annotated	Mild	
COc1ccc([C@@]2(C#N)CC[C@H](C(=O)O)CC2)cc1OCCCCOc1ccccc1	ZINC000299830600	HJ	Annotated	Mild	
O=C1Sc2cc(S(=O)(=O)Nc3ccc(O)c4ccccc34)cc3cccc1c23	ZINC000299831065	HJ	Annotated	Clean	
Cc1oc2nc(-c3ccccc3Cl)nn2c1CNCCc1ccccc1Cl	ZINC000299831173	HJ	Annotated	Anodyne	
O=C(Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)s1)c1ccco1	ZINC000299831504	HJ	Annotated	Bother	
Cc1ccc(Cn2nc(C(=O)NN3CCCCCC3)c3c2-c2c(C)csc2C3)cc1	ZINC000299831721	HJ	Annotated	Anodyne	
Cc1cc(C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)ncc1C(=O)NC1CC1	ZINC000299831826	HJ	Annotated	Mild	
Cc1nn(-c2ccc(Br)cc2Br)c2c1[C@@H](O)CC(C)(C)C2	ZINC000299832013	HJ	Annotated	Anodyne	
Cc1nn(-c2ccc(Br)cc2Br)c2c1[C@H](O)CC(C)(C)C2	ZINC000299832015	HJ	Annotated	Anodyne	
COc1cc(OCc2cnc(Cl)c(Cl)c2)ccc1CNCc1ccncc1	ZINC000299832313	HJ	Annotated	Anodyne	
C[C@H]1CN(c2ncccn2)C[C@@H](C)N1C(=O)c1ccc(-c2cccc(Cl)c2)cc1	ZINC000299832443	HJ	Annotated	Anodyne	
C[C@@H]1CN(c2ncccn2)C[C@@H](C)N1C(=O)c1ccc(-c2cccc(Cl)c2)cc1	ZINC000299832449	HJ	Annotated	Anodyne	
C[C@H]1CN(c2ncccn2)C[C@H](C)N1C(=O)c1ccc(-c2cccc(Cl)c2)cc1	ZINC000299832453	HJ	Annotated	Anodyne	
CC(=O)c1ccc2c(c1O)[C@@H]1c3c(ccc4c(=O)c(C)c(C)oc34)OC[C@@H]1C(C)(C)O2	ZINC000299832576	HJ	Annotated	Anodyne	
O=C1OCC2=C1[C@@H](c1ccc(O)c(Cl)c1)c1c(c3cccnc3c3ncccc13)N2	ZINC000299833912	HJ	Annotated	Bother	
O=C1OCC2=C1[C@H](c1ccc(O)c(Cl)c1)c1c(c3cccnc3c3ncccc13)N2	ZINC000299833915	HJ	Annotated	Bother	
C=CCc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(OC)cc1O[C@H]1CCCCO1	ZINC000299834813	HJ	Annotated	Mild	
C=CCc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(OC)cc1O[C@@H]1CCCCO1	ZINC000299834816	HJ	Annotated	Mild	
CC1(C)CN(c2ncccn2)CCN1C(=O)c1ccc(-c2cccc(Cl)c2)cc1	ZINC000299835915	HJ	Annotated	Anodyne	
O=C(O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccc4ccccc4c1)[C@@H]23	ZINC000299836319	HJ	Annotated	Anodyne	
CC(C)C(=O)NCc1ccc(Cl)c(-c2nc(O)c3ccc(C(F)(F)F)cc3n2)c1	ZINC000299836564	HJ	Annotated	Anodyne	
CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1NC(=O)c1nn(-c2ccc(F)cc2F)c2c1C[C@H]1C[C@@H]21	ZINC000299836994	HJ	Annotated	Anodyne	
COc1ccc(Cl)cc1Nc1nnc(-c2csc(NC(=O)C(C)(C)C)n2)o1	ZINC000299837717	HJ	Annotated	Anodyne	
C[C@H]1CNC(c2ccc3cc(-c4ccc(-c5cnc(N6CCCC6)nc5)cc4)[nH]c3c2)=N1	ZINC000299838148	HJ	Annotated	Anodyne	
C[C@@H]1CNC(c2ccc3cc(-c4ccc(-c5cnc(N6CCCC6)nc5)cc4)[nH]c3c2)=N1	ZINC000299838149	HJ	Annotated	Anodyne	
O=C1OCC2=C1[C@@H](c1cc(F)c(F)c(F)c1)c1c(c3cccnc3c3ncccc13)N2	ZINC000299838228	HJ	Annotated	Bother	
O=C1OCC2=C1[C@H](c1cc(F)c(F)c(F)c1)c1c(c3cccnc3c3ncccc13)N2	ZINC000299838229	HJ	Annotated	Bother	
CC(C)(C)NCc1cn(-c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)nn1	ZINC000299838348	HJ	Annotated	Anodyne	
O=C1OCC2=C1[C@@H](c1cc(Cl)ccc1O)c1c(c3cccnc3c3ncccc13)N2	ZINC000299838557	HJ	Annotated	Bother	
O=C1OCC2=C1[C@H](c1cc(Cl)ccc1O)c1c(c3cccnc3c3ncccc13)N2	ZINC000299838564	HJ	Annotated	Bother	
C[C@@H](C(=O)O)c1c([C@@]2(C)CCCC(C)(C)C2)ccc2c1CN(CCc1cnc[nH]1)C2=O	ZINC000299839046	HJ	Annotated	Anodyne	
CC1(C)CC(=O)C2=C(C1)Oc1ccc(Br)cc1[C@@H]2n1nnc2ccccc21	ZINC000299839224	HJ	Annotated	Mild	
CC1(C)CC(=O)C2=C(C1)Oc1ccc(Br)cc1[C@H]2n1nnc2ccccc21	ZINC000299839226	HJ	Annotated	Mild	
COc1cc(NCCC(N)=O)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1	ZINC000299839240	HJ	Annotated	Anodyne	
COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccc4ccccc4c1)[C@@H]23	ZINC000299839372	HJ	Annotated	Anodyne	
O=C(O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1cccc4ccccc14)[C@@H]23	ZINC000299839810	HJ	Annotated	Anodyne	
O=S(=O)(Cc1nc(-c2ccc(F)nc2)c2sccc2n1)c1cccc(Cl)c1	ZINC000299839858	HJ	Annotated	Anodyne	
c1cc2cc(-c3ccc(-c4cnc(N5CCCC5)nc4)cc3)[nH]c2cc1C1=NCCCN1	ZINC000299840036	HJ	Annotated	Anodyne	
C=CCc1cc(/C=C2\SC(=O)N(CC=C)C2=O)c(OC)cc1O[C@H]1CCCCO1	ZINC000299840522	HJ	Annotated	Mild	
C=CCc1cc(/C=C2\SC(=O)N(CC=C)C2=O)c(OC)cc1O[C@@H]1CCCCO1	ZINC000299840523	HJ	Annotated	Mild	
CC(C)[C@@H]1CC[C@H]2[C@H](CC[C@H]3[C@](C)(C(=O)OC[C@@H](O)C[N+](C)(C)C)CCC[C@]23C)C1	ZINC000299841454	HJ	Annotated	Bother	
CC(C)[C@@H]1CC[C@H]2[C@H](CC[C@H]3[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C)CCC[C@]23C)C1	ZINC000299841455	HJ	Annotated	Bother	
CC(C)[C@@H]1CC[C@H]2[C@@H](CC[C@H]3[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C)CCC[C@]23C)C1	ZINC000299841456	HJ	Annotated	Bother	
CC(C)[C@@H]1CC[C@H]2[C@@H](CC[C@H]3[C@](C)(C(=O)OC[C@@H](O)C[N+](C)(C)C)CCC[C@]23C)C1	ZINC000299841457	HJ	Annotated	Bother	
COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3cccc(C(F)(F)F)c3)c[n+]12	ZINC000299844478	HJ	Annotated	Bother	
COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3ccc(C(F)(F)F)cc3)c[n+]12	ZINC000299844543	HJ	Annotated	Bother	
COC(=O)c1cc2c3ccccc3[nH]c2c2cn(C34CC5CC(CC(C5)C3)C4)c[n+]12	ZINC000299844611	HJ	Annotated	Bother	
COc1cc(/C=C/c2cc(N3CCCCC3)c3ccccc3[n+]2C)cc(OC)c1O	ZINC000299844756	HJ	Annotated	Anodyne	
Cc1nc2cc(F)ccc2n1[C@@H]1CC[C@H](NC[C@H]2Cc3ccc(C#N)cc3C2)CC1	ZINC000299845087	HJ	Annotated	Mild	
C[C@H]([C@@H]1CCCCN1)[C@@H]1[C@@H](O)C[C@@H]2[C@H]3C=C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000299845253	HJ	Annotated	Anodyne	
C[C@H]([C@@H]1CCCCN1)[C@@H]1[C@@H](O)C[C@@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000299845254	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccccc2Br)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1	ZINC000299845685	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccccc2Br)N(Cc2ccccc2)[C@H]2CCCC[C@H]2N1	ZINC000299845686	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccc(Br)cc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1	ZINC000299845726	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccc(Br)cc2)N(Cc2ccccc2)[C@H]2CCCC[C@H]2N1	ZINC000299845727	HJ	Annotated	Anodyne	
S=C1NN(c2ccccc2)[C@]2(C[C@@H](c3ccccc3)O[C@@H](c3ccccc3)C2)N1	ZINC000299846374	HJ	Annotated	Anodyne	
C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@@H](C)CCO)CC1	ZINC000299846971	HJ	Annotated	Mild	
Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@H](c2ccccc2)N[C@@H]3c2ccccc2)cc1	ZINC000299847319	HJ	Annotated	Reactive	
Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@H](c2ccccc2)N[C@H]3c2ccccc2)cc1	ZINC000299847321	HJ	Annotated	Reactive	
CN1c2ccccc2C(=O)NN(c2ccccc2)[C@H]1c1ccc(Br)cc1	ZINC000299848888	HJ	Annotated	Anodyne	
O=c1c(N=Nc2ccc(O)cc2)c(-c2ccccc2)[nH]n1-c1ccc([N+](=O)[O-])cc1	ZINC000299849241	HJ	Annotated	Clean	
COc1ccc([C@@H]2C[C@@]23CC[C@]2(C[C@H]2c2ccc(OC)c(OC)c2)C3=O)cc1OC	ZINC000299849375	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2C[C@]23CC[C@]2(C[C@H]2c2ccc(OC)c(OC)c2)C3=O)cc1OC	ZINC000299849376	HJ	Annotated	Anodyne	
Cc1cccc(-c2nc3ccccc3c(=O)n2OC(=O)c2cccc(C(F)(F)F)c2)c1	ZINC000299850094	HJ	Annotated	Mild	
CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1cc(-c2ccc(F)cc2)nc2ccc(O)cc12	ZINC000299851146	HJ	Annotated	Anodyne	
CC(C)(C)n1nnc2c3c(ccc21)C1=CC(=O)CC[C@@]1(CCOc1ccccc1)C3	ZINC000299853518	HJ	Annotated	Mild	
CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1cc(-c2c(C)noc2C)nc2ccc(OC)cc12	ZINC000299854377	HJ	Annotated	Anodyne	
Fc1cc(-c2cnn(C3CC3)c2)cn2c(C(F)(F)c3ccc4ncccc4c3)nnc12	ZINC000299854657	HJ	Annotated	Anodyne	
Cc1ccc(C2=Nc3c(N)ncnc3N[C@@H](c3sc(Cl)nc3Cl)C2)cc1	ZINC000299854659	HJ	Annotated	Anodyne	
Cc1ccc(C2=Nc3c(N)ncnc3N[C@H](c3sc(Cl)nc3Cl)C2)cc1	ZINC000299854662	HJ	Annotated	Anodyne	
C=C(C(=O)c1ccc(OC)cc1)[C@@H](OC(=O)c1ccccc1)c1ccccc1[N+](=O)[O-]	ZINC000299854776	HJ	Annotated	Mild	
C=C(C(=O)c1ccc(OC)cc1)[C@H](OC(=O)c1ccccc1)c1ccccc1[N+](=O)[O-]	ZINC000299854778	HJ	Annotated	Mild	
Cc1c(O)c(O)c(Oc2cc(O)c(C)c3c2C(=O)O[C@H](C)[C@H]3C)c2c1[C@H](C)[C@@H](C)O2	ZINC000299855064	HJ	Annotated	Clean	
CN(C)c1ccc(/C=C2\CCCC3=C2NC(=O)N[C@H]3c2ccc(N(C)C)cc2)cc1	ZINC000299855422	HJ	Annotated	Clean	
CN(C)c1ccc(/C=C2\CCCC3=C2NC(=O)N[C@@H]3c2ccc(N(C)C)cc2)cc1	ZINC000299855425	HJ	Annotated	Clean	
O=[N+]([O-])c1ccc(Nc2cn3ccnc3c(Oc3c(F)cc(F)cc3F)n2)cc1	ZINC000299856234	HJ	Annotated	Bother	
N#Cc1ccc2c(c1)/C(=N\OCc1ccccc1)C(c1c[nH]c3ccc(C#N)cc13)=N2	ZINC000299856629	HJ	Annotated	Mild	
CS(=O)(=O)Nc1ccc(C23C[C@H]4C[C@@H](CC(c5ccc(C#N)cc5)(C4)C2)C3)cc1	ZINC000299857013	HJ	Annotated	Mild	
CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cncnc1)c1ccc(-c2ccccc2)cc1	ZINC000299857816	HJ	Annotated	Anodyne	
COc1cc2nc(/C=C/c3ccccc3Cl)n(-c3ccncc3)c(=O)c2cc1OC	ZINC000299857991	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2[C@H](C)C(=O)C[C@H](c3ccc(Cl)cc3)N2C(=O)CCl)cc1	ZINC000299858062	HJ	Annotated	Reactive	
COc1ccc([C@@H]2[C@@H](C)C(=O)C[C@H](c3ccc(Cl)cc3)N2C(=O)CCl)cc1	ZINC000299858064	HJ	Annotated	Reactive	
COc1ccc(OC)c(-c2nnc(NCc3ccc(Br)cc3)s2)c1	ZINC000299858242	HJ	Annotated	Anodyne	
CC[C@@H](c1ccc2ncc(OC)cc2c1)c1nnc2c(F)cc(-c3cc(C)no3)cn12	ZINC000299858858	HJ	Annotated	Anodyne	
CCOC(=O)c1sc2ccc(NCc3c[nH]cn3)cc2c1NC(=O)c1ccccc1	ZINC000299858921	HJ	Annotated	Anodyne	
C[C@@H]1C(=O)C[C@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@H]1c1ccc(N(C)C)cc1	ZINC000299859033	HJ	Annotated	Reactive	
Cc1nccn1-c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)c1	ZINC000299859971	HJ	Annotated	Bother	
CO[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1	ZINC000299860051	HJ	Annotated	Anodyne	
O=c1c2ccccc2n(Cc2cn(Cc3ccc(Cl)cc3)nn2)c2c(F)cccc12	ZINC000299860319	HJ	Annotated	Bother	
CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(N(CC)CC)cc1)C2=O	ZINC000299860968	HJ	Annotated	Mild	
CCOc1ncc(CN2CCC(N(C)Cc3c(Cl)cccc3Cl)CC2)s1	ZINC000299862229	HJ	Annotated	Anodyne	
CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ncccn1)c1ccc(-c2ccccc2)cc1	ZINC000299862588	HJ	Annotated	Anodyne	
CC(C)Cn1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc21	ZINC000299863151	HJ	Annotated	Mild	
Oc1cc(Br)c(-c2cc3c(Br)ccc(O)c3o2)cc1O	ZINC000299863384	HJ	Annotated	Clean	
C=C(C(=O)c1ccc(OC)cc1)[C@@H](OC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000299863751	HJ	Annotated	Mild	
C=C(C(=O)c1ccc(OC)cc1)[C@H](OC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000299863752	HJ	Annotated	Mild	
C=CCc1ccc(OCc2cn(-c3ccc(C(=O)c4ccccc4)cc3)nn2)c(O)c1	ZINC000299863821	HJ	Annotated	Mild	
C[C@@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(Cl)c1-c1ccccn1	ZINC000299864136	HJ	Annotated	Mild	
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(Cl)c1-c1ccccn1	ZINC000299864137	HJ	Annotated	Mild	
CN(c1ccc(C23C[C@H]4C[C@@H](CC(c5ccc(C#N)cc5)(C4)C2)C3)cc1)S(C)(=O)=O	ZINC000299864188	HJ	Annotated	Mild	
O=C(/C=C1/C(=O)N(Cc2ccc(F)cc2)c2ccccc21)Nc1ccc2ncccc2c1	ZINC000299864985	HJ	Annotated	Anodyne	
CC(C)=CCC/C(C)=C/CO[C@H]1CCO[P@](=O)(NCCCl)N1CCCl	ZINC000299865384	HJ	Annotated	Reactive	
CC(C)=CCC/C(C)=C/CO[C@@H]1CCO[P@@](=O)(NCCCl)N1CCCl	ZINC000299865385	HJ	Annotated	Reactive	
CC(C)=CCC/C(C)=C/CO[C@@H]1CCO[P@](=O)(NCCCl)N1CCCl	ZINC000299865386	HJ	Annotated	Reactive	
CC(C)=CCC/C(C)=C/CO[C@H]1CCO[P@@](=O)(NCCCl)N1CCCl	ZINC000299865387	HJ	Annotated	Reactive	
O=S(=O)(CC[C@@](F)(Cl)C(F)(F)Cl)c1nc2ccc(Cl)cc2s1	ZINC000299865768	HJ	Annotated	Anodyne	
O=S(=O)(CC[C@](F)(Cl)C(F)(F)Cl)c1nc2ccc(Cl)cc2s1	ZINC000299865770	HJ	Annotated	Anodyne	
COc1ccc(C(=O)/C(=C/c2c(F)c(F)c(F)c(F)c2F)CCOC(C)=O)cc1	ZINC000299865823	HJ	Annotated	Mild	
O=C1C[C@H](Sc2ccc(F)cc2)N1C(=O)NC(c1ccccc1)c1ccccc1	ZINC000299866383	HJ	Annotated	Anodyne	
O=C1C[C@@H](Sc2ccc(F)cc2)N1C(=O)NC(c1ccccc1)c1ccccc1	ZINC000299866384	HJ	Annotated	Anodyne	
COc1ccc2nc3cc(Cl)ccc3c(N/C(=N/CCCN(C)C)C(C)C)c2n1	ZINC000299866512	HJ	Annotated	Mild	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)/C(=C\O)C[C@@]43C)[C@@H]1CC[C@@]2(O)Cc1ccccn1	ZINC000299866868	HJ	Annotated	Mild	
CCN(CC)C(=O)Cc1c(-c2ccc(OC3CCCC3)cc2)nn2c(C)cc(C)nc12	ZINC000299867016	HJ	Annotated	Anodyne	
CC[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(-c3ccnc(C)c3)cnn21	ZINC000299867282	HJ	Annotated	Anodyne	
CC[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(-c3ccnc(C)c3)cnn21	ZINC000299867284	HJ	Annotated	Anodyne	
CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1cc(N2CCC(C)CC2)nc2ccc(OC)cc12	ZINC000299867549	HJ	Annotated	Anodyne	
Cc1ccc2nc(/C=C/c3ccc(Br)cc3)nc(NCCN(C)C)c2c1	ZINC000299867630	HJ	Annotated	Anodyne	
N#Cc1cn(-c2ccccc2)c2ccc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)cc12	ZINC000299867738	HJ	Annotated	Mild	
CN(C)CCCn1c(/C=C/c2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O	ZINC000299868306	HJ	Annotated	Anodyne	
Nc1cc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)cnc1O	ZINC000299868546	HJ	Annotated	Anodyne	
O=C(/C=C/c1ccc(F)cc1)N1Cc2ccccc2[C@@H](OCc2ccccc2)[C@@H]1CO	ZINC000299868630	HJ	Annotated	Anodyne	
O=[N+]([O-])c1c[nH]nc1-c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)no1	ZINC000299868633	HJ	Annotated	Bother	
CCC[C@@H]1Cc2c(C)c3c(n2-c2cc(Cl)c(C(N)=O)cc2O1)CC(C)(C)CC3=O	ZINC000299869066	HJ	Annotated	Anodyne	
COc1ccc2nc(C)cc(N3CCC(NC(=S)Nc4ccc(F)cc4)CC3)c2c1	ZINC000299870726	HJ	Annotated	Anodyne	
COc1ccc2c(c1)CC(=O)N2[C@H](C(=O)Nc1c(C)cccc1C)c1ccccc1	ZINC000299871163	HJ	Annotated	Anodyne	
COc1ccc2c(c1)CC(=O)N2[C@@H](C(=O)Nc1c(C)cccc1C)c1ccccc1	ZINC000299871164	HJ	Annotated	Anodyne	
CC(C)c1ccc(COc2cccc(-c3cc([S@@](C)=O)c(C#N)c(O)n3)c2)cc1	ZINC000299871760	HJ	Annotated	Mild	
CC(C)c1ccc(COc2cccc(-c3cc([S@](C)=O)c(C#N)c(O)n3)c2)cc1	ZINC000299871761	HJ	Annotated	Mild	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nc3ccccc3s2)cc1	ZINC000299872007	HJ	Annotated	Reactive	
CCCCCCCCSC(=S)N1CCN(C(=S)Nc2cccnc2)CC1	ZINC000299872101	HJ	Annotated	Mild	
Cc1ccc(N=C2C=C(NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1	ZINC000299872419	HJ	Annotated	Mild	
CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@@H](C(N)=O)[C@@H]2c1ccc(-c2ccccc2)cc1	ZINC000299872465	HJ	Annotated	Anodyne	 
CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@H](C(N)=O)[C@H]2c1ccc(-c2ccccc2)cc1	ZINC000299872466	HJ	Annotated	Anodyne	 
CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@H](C(N)=O)[C@@H]2c1ccc(-c2ccccc2)cc1	ZINC000299872467	HJ	Annotated	Anodyne	 
C[C@H]1[C@H](C)CCC[C@H]1N(Cc1ccco1)C(=O)Nc1cn(C)c(=O)c2ccccc12	ZINC000299872709	HJ	Annotated	Anodyne	 
C[C@@H]1[C@@H](N(Cc2ccco2)C(=O)Nc2cn(C)c(=O)c3ccccc23)CCC[C@H]1C	ZINC000299872710	HJ	Annotated	Anodyne	 
CCC[C@@H]1[C@@H]2CC=C[C@H]2c2cc(C(=O)O)ccc2N1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000299872745	HJ	Annotated	Clean	 
COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3CCCC3)n2)cc1	ZINC000299873843	HJ	Annotated	Anodyne	 
COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3CCCC3)n2)cc1	ZINC000299873844	HJ	Annotated	Anodyne	 
CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cccs1	ZINC000299874088	HJ	Annotated	Anodyne	 
CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cccs1	ZINC000299874089	HJ	Annotated	Anodyne	 
CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cccs1	ZINC000299874090	HJ	Annotated	Anodyne	 
CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccs1	ZINC000299874091	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1	ZINC000299874104	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1	ZINC000299874105	HJ	Annotated	Anodyne	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(C)c5)[C@H](C)C4)[C@H]3C[C@H]12	ZINC000299874709	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H](C)CN(C)C	ZINC000299874794	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@H](C)CN(C)C	ZINC000299874795	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC	ZINC000299874882	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC	ZINC000299874883	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC	ZINC000299874884	HJ	Annotated	Anodyne	 
CC(C)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CC[C@H]1CCCN1C	ZINC000299875145	HJ	Annotated	Anodyne	 
CC(C)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CC[C@@H]1CCCN1C	ZINC000299875146	HJ	Annotated	Anodyne	 
C[C@@H]1[C@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C	ZINC000299875403	HJ	Annotated	Anodyne	 
C[C@H]1[C@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C	ZINC000299875404	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1	ZINC000299875551	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NC[C@@H](O)c1ccccc1	ZINC000299875552	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O	ZINC000299875563	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O	ZINC000299875564	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O	ZINC000299875565	HJ	Annotated	Anodyne	 
Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1	ZINC000299875780	HJ	Annotated	Anodyne	 
Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1	ZINC000299875781	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O	ZINC000299876002	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O	ZINC000299876003	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O	ZINC000299876004	HJ	Annotated	Anodyne	 
COc1ccc(Oc2nc(N[C@H](C)CC#N)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1	ZINC000299876655	HJ	Annotated	Mild	 
COc1ccc(Oc2nc(N[C@H](C)CC#N)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1	ZINC000299876656	HJ	Annotated	Mild	 
COc1ccc(Oc2nc(N[C@H](C)CC#N)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1	ZINC000299876657	HJ	Annotated	Mild	 
CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC	ZINC000299876738	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC	ZINC000299876739	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC	ZINC000299876740	HJ	Annotated	Anodyne	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccco4)C[C@H]4CCCO4)[C@H]3C[C@@H]12	ZINC000299878918	HJ	Annotated	Anodyne	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccco4)C[C@H]4CCCO4)[C@H]3C[C@H]12	ZINC000299878919	HJ	Annotated	Anodyne	 
C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccccc3F)n2)C1	ZINC000299879578	HJ	Annotated	Anodyne	 
C[C@H]1[C@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C	ZINC000299879740	HJ	Annotated	Anodyne	 
C[C@@H]1[C@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C	ZINC000299879741	HJ	Annotated	Anodyne	 
C=CCN(C)c1nc(NC[C@@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1	ZINC000299879916	HJ	Annotated	Mild	 
C=CCN(C)c1nc(NC[C@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1	ZINC000299879917	HJ	Annotated	Mild	 
CC[C@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000299880034	HJ	Annotated	Anodyne	 
CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000299880035	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@H](C)CN(C)C	ZINC000299880134	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@H](C)CN(C)C	ZINC000299880135	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O	ZINC000299880292	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O	ZINC000299880293	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O	ZINC000299880294	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC	ZINC000299880414	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC	ZINC000299880415	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC	ZINC000299880416	HJ	Annotated	Anodyne	 
C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc(F)cc3)n2)C1	ZINC000299881202	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O	ZINC000299881540	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O	ZINC000299881541	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O	ZINC000299881542	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O	ZINC000299881720	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O	ZINC000299881721	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O	ZINC000299881722	HJ	Annotated	Anodyne	 
CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1	ZINC000299882755	HJ	Annotated	Anodyne	 
C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000299883196	HJ	Annotated	Anodyne	 
C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000299883197	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O	ZINC000299884251	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O	ZINC000299884252	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O	ZINC000299884253	HJ	Annotated	Anodyne	 
CC(C)Cc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CC[C@@H]1CCCN1C	ZINC000299884411	HJ	Annotated	Anodyne	 
CC(C)Cc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CC[C@H]1CCCN1C	ZINC000299884412	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H](C)CN(C)C	ZINC000299884559	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@H](C)CN(C)C	ZINC000299884560	HJ	Annotated	Anodyne	 
CCN(C)c1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1	ZINC000299884629	HJ	Annotated	Anodyne	 
CCN(C)c1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc(C)c2)n1	ZINC000299884630	HJ	Annotated	Anodyne	 
CCN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc(C)c2)n1	ZINC000299884631	HJ	Annotated	Anodyne	 
CCN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1	ZINC000299884632	HJ	Annotated	Anodyne	 
C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccccc3)n2)C1	ZINC000299884849	HJ	Annotated	Anodyne	 
CCN(C)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1	ZINC000299885322	HJ	Annotated	Anodyne	 
CCN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1	ZINC000299885323	HJ	Annotated	Anodyne	 
C[C@@H]1[C@H](NC(=O)c2cnc(NCC3CC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C	ZINC000299885839	HJ	Annotated	Anodyne	 
C[C@H]1[C@H](NC(=O)c2cnc(NCC3CC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C	ZINC000299885840	HJ	Annotated	Anodyne	 
CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@H](C)CC)nc2-c2ccc(C#N)cc2)C1	ZINC000299885884	HJ	Annotated	Anodyne	 
CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@H](C)CC)nc2-c2ccc(C#N)cc2)C1	ZINC000299885885	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@H](C)CN(C)C	ZINC000299886327	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@H](C)CN(C)C	ZINC000299886328	HJ	Annotated	Anodyne	 
CC[C@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000299886550	HJ	Annotated	Anodyne	 
CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000299886551	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H](C)CN(C)C	ZINC000299888154	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@H](C)CN(C)C	ZINC000299888155	HJ	Annotated	Anodyne	 
Fc1cc2c(c(Cn3c4ccccc4c4nc5cc(F)ccc5nc43)c1)OCOC2	ZINC000003027937	HJ	Annotated	Bother	 
C[C@@H]1[C@@H](NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccccc4)nc23)CCC[C@H]1C	ZINC000003035100	HJ	Annotated	Anodyne	 
CCN(CC)CCNC(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(C)=O)c1	ZINC000003049128	HJ	Annotated	Anodyne	 
C[C@@H]1[C@@H](NC(=O)CCCCCn2c(=S)[nH]c3ccsc3c2=O)CCC[C@H]1C	ZINC000003059270	HJ	Annotated	Anodyne	 
CCn1c(/C=C/Nc2ccccc2)[n+](CC)c2ccc(C(=O)OCC(F)(F)F)cc21	ZINC000003065442	HJ	Annotated	Anodyne	 
CCn1c(C)nc2cc(C(=O)OC(C(F)(F)C(F)F)C(F)(F)C(F)F)ccc21	ZINC000003163629	HJ	Annotated	Mild	
S=c1n(/N=C/c2ccc(Br)cc2)cnn1Cc1ccccc1Cl	ZINC000003197391	HJ	Annotated	Mild	 
CN(c1ccc(Cl)cc1)c1nc2nonc2nc1N(C)c1ccc(Cl)cc1	ZINC000003212602	HJ	Annotated	Anodyne	 
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=S)Nc1ccc(OC(F)F)cc1	ZINC000003265222	HJ	Annotated	Anodyne	 
Cc1nc2ccccc2c(=O)n1/N=C/c1cn(-c2ccccc2)nc1-c1cccs1	ZINC000003299898	HJ	Annotated	Mild	 
O=C(COC(=O)/C=C/c1ccccc1Cl)NCCc1ccc(Cl)cc1Cl	ZINC000003300067	HJ	Annotated	Anodyne	 
Cc1cc(C)nc(N/N=C/C2=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC2)n1	ZINC000003308448	HJ	Annotated	Mild	 
CCN(CC)CCCNc1ccc(-c2nnc(-c3ccc(OCC(C)C)cc3)o2)cn1	ZINC000003407740	HJ	Annotated	Anodyne	 
C=C/C=C(/C)N(c1ccccc1)c1ncc(C(=O)NCCCCCCC(=O)OC)cn1	ZINC000301054796	HJ	Annotated	Anodyne	 
C[C@@H]1Oc2c(c(O)c3c(c2[C@H](CC(=O)O)c2ccccc2)OC(C)(C)C=C3)C(=O)[C@H]1C	ZINC000031158012	HJ	Annotated	Anodyne	 
C=C[C@](C)(O)CC[C@@]1(C)C2=C([C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1C)C(C)(C)CCC2	ZINC000031169277	HJ	Annotated	Mild	in-vitro biogenic
C=C[C@@](C)(O)CC[C@@]1(C)C2=C([C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1C)C(C)(C)CCC2	ZINC000031169283	HJ	Annotated	Mild	
O=C(O)c1cc(Br)cc2[nH]c(-c3cc(F)cc(Br)c3)nc12	ZINC000314191282	HJ	Annotated	Anodyne	 
N#Cc1c(-c2ccco2)cc(-c2ccc(NCc3nc4ccccc4[nH]3)cc2)nc1N	ZINC000031842298	HJ	Annotated	Mild	
O=C1CN2C(Cl)(Cl)[C@@]2(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1	ZINC000031851224	HJ	Annotated	Anodyne	
O=C1CN2C(Cl)(Cl)[C@]2(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1	ZINC000031851227	HJ	Annotated	Anodyne	
COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2[C@H](C)CCC[C@H]23)cc1	ZINC000031900102	HJ	Annotated	Anodyne	
COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[C@@H](C)[C@@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)cc1	ZINC000031900106	HJ	Annotated	Anodyne	
N#Cc1c(O)nc2nn3c4ccc5ccccc5c4nnc3c2c1-c1ccc(Cl)cc1	ZINC000031900882	HJ	Annotated	Mild	
O=C(Nc1nnc(-c2ccccc2)o1)[C@H](SC(=S)N1CCCC1)c1ccccc1	ZINC000031905221	HJ	Annotated	Anodyne	
COc1ccc(C2=C3SC=c4ccccc4=C3ON=C2c2ccc(Cl)cc2)cc1	ZINC000031909867	HJ	Annotated	Anodyne	 
O=C(C1=NS(=O)(=O)c2ccc(Cl)cc2S1)c1ccc(Cl)c(Cl)c1	ZINC000031910165	HJ	Annotated	Anodyne	
CN1CCN(CCC/N=c2\cc(-c3ccccc3)sc3ccc(Cl)cc23)CC1	ZINC000032155926	HJ	Annotated	Anodyne	 
CN1CCN(CCC/N=c2\cc(-c3ccc(Cl)cc3)sc3ccccc23)CC1	ZINC000032271392	HJ	Annotated	Anodyne	 
COc1ccc2c(c1C)CC[C@]1(C)[C@@H]3CC[C@]21O[C@@]1(OC(C)(C)[C@@H](C)[C@H]1O)[C@H]3C	ZINC000032296301	HJ	Annotated	Anodyne	
COc1cc([C@@H]2O[C@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@H]2C)cc(OC)c1OC	ZINC000032296594	HJ	Annotated	Anodyne	 
Cc1cc(C)nc(N/N=C/C2=C(N3CCOCC3)/C(=C\c3ccc(Cl)cc3)CC2)n1	ZINC000032704157	HJ	Annotated	Mild	 
CN(C1=NC(=O)/C(=C/C(Cl)=C\c2ccc([N+](=O)[O-])cc2)S1)c1ccc(O)cc1	ZINC000033340731	HJ	Annotated	Clean	 
Cc1cc(C(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1	ZINC000033406843	HJ	Annotated	Reactive	 
Cc1cc2c(cc1Cl)SC(C(=O)c1ccc3ccccc3c1)=NS2(=O)=O	ZINC000033503572	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2c1S(=O)(=O)N=C(C(=O)c1ccc3ccccc3c1)S2	ZINC000033503573	HJ	Annotated	Anodyne	
O=C(CSc1nccn1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-]	ZINC000033817151	HJ	Annotated	Bother	
CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C	ZINC000033830460	HJ	Annotated	Anodyne	 
O=[N+]([O-])c1ccc(-n2cccc2/C=N\Nc2ncnc3sc4c(c23)CCCC4)cc1	ZINC000033862437	HJ	Annotated	Mild	 
C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]1(C)Cc3sc(NC(=O)C4CCCC4)nc3[C@@H](C)[C@@H]21	ZINC000033873987	HJ	Annotated	Anodyne	
C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]1(C)Cc3sc(NC(=O)C4CCCC4)nc3[C@H](C)[C@@H]21	ZINC000033873989	HJ	Annotated	Anodyne	
C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)C4CCCC4)nc3[C@@H](C)[C@@H]21	ZINC000033873991	HJ	Annotated	Anodyne	
C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)C4CCCC4)nc3[C@H](C)[C@@H]21	ZINC000033873993	HJ	Annotated	Anodyne	
CC(=O)OC[C@@H](O)COC(=O)[C@@H]1[C@@H](C)CC[C@@]2(C)[C@@H]3CCCC(C)(C)C3=CC[C@@]12C	ZINC000033902530	HJ	Annotated	Anodyne	
CC1(C)[C@H]2c3cc([C@@H]4CC(=O)c5c(O)cc(O)cc5O4)c(O)cc3O[C@]3(C)CC[C@@H]1[C@@H]23	ZINC000033902650	HJ	Annotated	Anodyne	in-man
CC1(C)[C@H]2CC[C@@]3(C)Oc4cc(O)c([C@@H]5CC(=O)c6c(O)cc(O)cc6O5)cc4[C@H]1[C@H]23	ZINC000033902651	HJ	Annotated	Anodyne	in-man
CC1(C)[C@H]2c3cc([C@@H]4CC(=O)c5c(O)cc(O)cc5O4)c(O)cc3O[C@@]3(C)CC[C@@H]1[C@@H]23	ZINC000033902652	HJ	Annotated	Anodyne	in-man
CC1(C)[C@H]2CC[C@]3(C)Oc4cc(O)c([C@@H]5CC(=O)c6c(O)cc(O)cc6O5)cc4[C@H]1[C@H]23	ZINC000033902653	HJ	Annotated	Anodyne	in-man
CC1(C)C(=O)C=C[C@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)C[C@@H]3O[C@@]321	ZINC000033903655	HJ	Annotated	Anodyne	in-vitro
Clc1cccc(/C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1	ZINC000033907154	HJ	Annotated	Mild	
CNc1nc(N/N=C\c2ccccc2Cl)nc(Nc2cccc(C(F)(F)F)c2)n1	ZINC000033909133	HJ	Annotated	Mild	 
CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(C)=O)=C3C2=CO1	ZINC000033985668	HJ	Annotated	Mild	in-vitro
CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)OC(=O)C(C(C)=O)=C3C2=CO1	ZINC000033985669	HJ	Annotated	Mild	 
CCCCC[C@H](Br)C1=C(Br)/C(=C/Br)OC1=O	ZINC000033992036	HJ	Annotated	Reactive	
CCCCC[C@@H](Br)C1=C(Br)/C(=C/Br)OC1=O	ZINC000033992037	HJ	Annotated	Reactive	
COc1cc(O)cc2c1C(=O)O[C@@H]2CCCCCCCCCC(=O)CC[C@@H](C)O	ZINC000034002564	HJ	Annotated	Anodyne	 
COc1cc(O)cc2c1C(=O)O[C@H]2CCCCCCCCCC(=O)CC[C@H](C)O	ZINC000034002565	HJ	Annotated	Anodyne	 
CC(C)N(C)c1nc2cc(-c3noc(COCc4ccc(Cl)cc4)n3)ccc2[nH]1	ZINC000034011224	HJ	Annotated	Anodyne	
O=C(O)[C@@H]1CSc2c(-c3ccccc3)c(Cc3cccc4ccccc34)cc(=O)n21	ZINC000034024368	HJ	Annotated	Anodyne	
Cc1nsc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)n1	ZINC000034035894	HJ	Annotated	Anodyne	
COc1oc([C@H]2C/C(=C/C(C)=C/c3ccc(NC(C)=O)cc3)CO2)c(C)c(=O)c1C	ZINC000034059822	HJ	Annotated	Anodyne	
CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C(\C#N)c2ccccc2)c1	ZINC000034080946	HJ	Annotated	Reactive	
CC(=O)O[C@H]1C[C@](C)(O)/C=C/C[C@@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12	ZINC000034081029	HJ	Annotated	Anodyne	in-vitro biogenic
CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C(\C#N)c2cccs2)c1	ZINC000034098286	HJ	Annotated	Reactive	
COC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(O)cc2)cn1-c1ccc(O)cc1	ZINC000034104671	HJ	Annotated	Anodyne	 
CC(C)(O)[C@@H]1C[C@H]2O[C@@]23[C@H](CC[C@@]2(C)[C@H]3CC[C@H]3Cc4c([nH]c5ccccc45)[C@@]32C)O1	ZINC000034106196	HJ	Annotated	Anodyne	
COc1ccccc1N(C(=O)c1ccco1)[C@H]1CCN(CCc2cccs2)C[C@H]1C	ZINC000034114413	HJ	Annotated	Anodyne	
COc1ccc(/N=C(\O)Cn2c3ccccc3c(=O)c3cc(C)ccc32)cc1OC	ZINC000034138335	HJ	Annotated	Mild	 
O=C1[C@@H](c2ccccc2)[C@@H](c2cccnc2)N[C@H](c2cccnc2)[C@H]1c1ccccc1	ZINC000034145223	HJ	Annotated	Anodyne	 
O=C1[C@@H](c2ccccc2)[C@@H](c2cccnc2)N[C@H](c2cccnc2)[C@@H]1c1ccccc1	ZINC000034145224	HJ	Annotated	Anodyne	 
CC(=O)Oc1ccc(C(=O)O[C@H]2CC(C)=CC[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1	ZINC000034167406	HJ	Annotated	Anodyne	
CN1CSC(=S)N(c2c3ccccc3nc3ccc(Br)cc23)C1	ZINC000034172862	HJ	Annotated	Clean	
CC(=O)OC[C@H](O)COC(=O)[C@H]1[C@H](C)CC[C@]2(C)[C@H]3CCCC(C)(C)C3=CC[C@]12C	ZINC000034215708	HJ	Annotated	Anodyne	
CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O	ZINC000034239698	HJ	Annotated	Mild	in-man endogenous
C[C@@H]1CC[C@]23C[C@@]2(C)CCC[C@H]3[C@]1(C)CCC1=CC[C@@H](C2=CC(=O)O[C@H]2O)OC1	ZINC000034239714	HJ	Annotated	Anodyne	
CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2	ZINC000034342205	HJ	Annotated	Anodyne	
COc1cc(-c2c(C#N)c(=O)oc3cc(Cl)ccc23)cc(Br)c1OC	ZINC000034350110	HJ	Annotated	Mild	
C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](OC(=O)/C(C)=C/C)[C@@H]1OC(=O)/C(C)=C/C	ZINC000034405724	HJ	Annotated	Mild	
C=C1C[C@@H](OC(C)=O)[C@@H]2[C@H](/C=C(/C)CC[C@H]1OC(C)=O)[C@@H](C(C)C)CC[C@@]2(C)O	ZINC000034474298	HJ	Annotated	Mild	
CO[P@](=O)(O)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(F)cc1	ZINC000034479384	HJ	Annotated	Anodyne	 
CO[P@](=O)(O)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(F)cc1	ZINC000034479386	HJ	Annotated	Anodyne	 
C=C[C@@]1(C)CC[C@H]([C@](C)(O)/C=C/[C@H](OC(C)=O)C(C)(C)OC(C)=O)C[C@@H]1C(=C)C	ZINC000034500353	HJ	Annotated	Mild	
CC(=O)NCCCN(CCCN1CCCC/C=C\CCCCCCCC1)C(C)=O	ZINC000034538282	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2CC3(N4CCCC4)CC(=O)C2[C@H](c2ccc(OC)cc2)C3)cc1	ZINC000034545104	HJ	Annotated	Anodyne	
CC(C)N1CCc2ccc3c(C(=O)O)c(O)c(Cc4ccc(Cl)cc4)nc3c2C1	ZINC000034545234	HJ	Annotated	Anodyne	
CC(=O)C[C@@H]1C(=O)[C@@H]2COC(C)(C)[C@H]3CC[C@@](C)(C[C@H]23)[C@H]1/C=C/OC(=O)C=C(C)C	ZINC000034609202	HJ	Annotated	Anodyne	in-vitro biogenic
CC(=O)C[C@@H]1C(=O)[C@@H]2COC(C)(C)[C@@H]3CC[C@@](C)(C[C@H]23)[C@H]1/C=C/OC(=O)C=C(C)C	ZINC000034609203	HJ	Annotated	Anodyne	
CC1=C(CC/C(=C/C[C@@H](O)C2=CC(=O)OC2)CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1	ZINC000034626452	HJ	Annotated	Anodyne	
S=C(NCc1ccccc1Cl)N1CCC(c2cccc(Br)c2)=N1	ZINC000034629963	HJ	Annotated	Anodyne	 
Cc1ccccc1C(C)(C)C[C@@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F	ZINC000034633686	HJ	Annotated	Anodyne	
Cc1ccccc1C(C)(C)C[C@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F	ZINC000034633687	HJ	Annotated	Anodyne	
Cc1ccc(O)c(C(C)(C)C[C@@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)c1	ZINC000034633690	HJ	Annotated	Anodyne	
Cc1ccc(O)c(C(C)(C)C[C@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)c1	ZINC000034633691	HJ	Annotated	Anodyne	
CC(C)(C[C@@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1ccc(F)cc1O	ZINC000034633696	HJ	Annotated	Anodyne	
CC(C)(C[C@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1ccc(F)cc1O	ZINC000034633697	HJ	Annotated	Anodyne	
Cc1cc(C)cc(-c2nnc(CSc3cnn(C(C)(C)C)c(=O)c3Cl)o2)c1	ZINC000034650819	HJ	Annotated	Anodyne	 
CC[C@@H](Nc1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12)c1nc(C)no1	ZINC000034661170	HJ	Annotated	Anodyne	 
CCC(CC)c1cc(C)nn2c(-c3sc(N4CCOCC4)nc3Cl)c(C)nc12	ZINC000034661491	HJ	Annotated	Anodyne	
C=C[C@@]1(C)CC[C@H](/C(=C/C[C@@H](OC(C)=O)C(C)(C)O)COC(C)=O)C[C@@H]1C(=C)C	ZINC000034729482	HJ	Annotated	Mild	
CC[N+]([O-])(CC)CCn1nc2c3ccc(Cl)cc3sc3c(CO)ccc1c32	ZINC000034778488	HJ	Annotated	Bother	
CN1C[C@H](CNC(=O)c2ccccc2)C[C@@H]2c3cc(C(C)(C)C)cc4[nH]cc(c34)C[C@H]21	ZINC000034800961	HJ	Annotated	Anodyne	
C[C@@](O)(C[S@@](=O)c1ccc(F)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1	ZINC000034801510	HJ	Annotated	Anodyne	
C[C@](O)(C[S@@](=O)c1ccc(F)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1	ZINC000034801511	HJ	Annotated	Anodyne	
C[C@@](O)(C[S@](=O)c1ccc(F)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1	ZINC000034801512	HJ	Annotated	Anodyne	
C[C@](O)(C[S@](=O)c1ccc(F)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1	ZINC000034801513	HJ	Annotated	Anodyne	
Cc1ccc2c(c1)C1(CCN(CCc3coc(-c4ccc(F)cc4)n3)CC1)OC(=O)N2	ZINC000034804150	HJ	Annotated	Anodyne	
OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)C2	ZINC000034806461	HJ	Annotated	Bother	
Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2c(Cl)cccc2Cl)c(C)c1	ZINC000034817554	HJ	Annotated	Anodyne	
Cc1c(Cc2c(Cl)cccc2Cl)nc(Sc2ccc(C#N)cc2)[nH]c1=O	ZINC000034820524	HJ	Annotated	Mild	
COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cn1	ZINC000034820526	HJ	Annotated	Anodyne	
CC(C)c1cc(CCCCCC[C@@](O)(C(N)=O)C(F)(F)F)cc(C(C)C)c1O	ZINC000034849751	HJ	Annotated	Anodyne	
CC(C)c1cc(CCCCCC[C@](O)(C(N)=O)C(F)(F)F)cc(C(C)C)c1O	ZINC000034849752	HJ	Annotated	Anodyne	
Cc1ccc(-c2cc(C(F)(F)F)n3nc(/C(O)=N/c4nccs4)cc3n2)cc1	ZINC000034858311	HJ	Annotated	Mild	 
CCc1cccc(C)c1/N=C(\O)CCS(=O)(=O)c1ccc(Br)s1	ZINC000034858486	HJ	Annotated	Anodyne	 
COc1cc(OC)c(/N=C(\O)Cc2c(C(=O)O)n(C)c3ccc(C)cc23)cc1Cl	ZINC000034861021	HJ	Annotated	Anodyne	 
CCOc1ccc(Cc2nc3cc(NC(C)=N)ccc3n2CCN(CC)CC)cc1	ZINC000034875293	HJ	Annotated	Anodyne	
N#Cc1cc(Cl)cc(Oc2cc(F)cc(OCc3n[nH]c4nc(N)ccc34)c2)c1	ZINC000034891792	HJ	Annotated	Mild	
COc1ccc([C@H]2/C=C/CN(CC(C)(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1	ZINC000034961624	HJ	Annotated	Anodyne	
COc1ccc([C@H]2/C=C/CN(Cc3ccco3)CC(=O)N2Cc2ccc(F)cc2)cc1	ZINC000034961626	HJ	Annotated	Anodyne	
CCCCCN1CC=C[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1	ZINC000034961628	HJ	Annotated	Anodyne	 
CC(C)O/N=C/c1ccc(OCCC2CCN(c3ccc(Cl)nn3)CC2)cc1	ZINC000003618033	HJ	Annotated	Mild	
CCOc1noc2cc(OCCCC3CCN(c4ccc(Cl)nn4)CC3)ccc12	ZINC000003633456	HJ	Annotated	Anodyne	
Cc1ccccc1CN1C(=O)CSc2ccc(C(=O)NCc3ccccc3)cc21	ZINC000003638401	HJ	Annotated	Anodyne	 
CC(C)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)CS2	ZINC000003638647	HJ	Annotated	Anodyne	 
Cc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NCc4ccccc4)cc32)c1	ZINC000003638723	HJ	Annotated	Anodyne	 
O=[N+]([O-])c1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1	ZINC000003639583	HJ	Annotated	Bother	
Cc1ccc(Sc2cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1	ZINC000003658339	HJ	Annotated	Anodyne	 
CC(C)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1	ZINC000003776727	HJ	Annotated	Anodyne	
CC(C)c1cc(-c2ccccn2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1	ZINC000003777260	HJ	Annotated	Anodyne	
CC(C)c1cc(-c2cccnc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1	ZINC000003777262	HJ	Annotated	Anodyne	
CSC1=N[C@@H]2/C(=C(/O)OCCCCCSc3c2cccc3[N+](=O)[O-])C(C)=N1	ZINC000003781653	HJ	Annotated	Bother	
CSC1=N[C@@H]2/C(=C(/O)OCCCCCSc3ccc([N+](=O)[O-])cc32)C(C)=N1	ZINC000003781654	HJ	Annotated	Bother	
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccsc2[C@@H]1CN1CCCC1	ZINC000003782796	HJ	Annotated	Anodyne	
CC(=O)CCC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1	ZINC000003799481	HJ	Annotated	Clean	
Cc1nc2cnccc2n1CCCO[C@@H]1CC[C@@H](c2ccc(Br)cc2)O1	ZINC000003801626	HJ	Annotated	Anodyne	
CN(C)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cc1	ZINC000003814329	HJ	Annotated	Anodyne	
CC(C)OC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1	ZINC000003815917	HJ	Annotated	Anodyne	
CN1c2ccccc2[C@@H]2[C@@H](NC(=O)C(F)(F)F)CCCN2c2cc(Cl)ccc21	ZINC000003818371	HJ	Annotated	Anodyne	
CCCCCC12CCC(c3cc(=O)c4cc(OS(N)(=O)=O)ccc4o3)(CC1)CC2	ZINC000003818814	HJ	Annotated	Anodyne	
CC(C)N(C)c1nc2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc2[nH]1	ZINC000003819859	HJ	Annotated	Anodyne	
O=C1CC[C@]2(c3ccc(Cl)c(Cl)c3)O[C@H](COc3ccc(Cl)cc3)CN12	ZINC000003824778	HJ	Annotated	Anodyne	
COCc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1	ZINC000003828084	HJ	Annotated	Anodyne	
CC1=C(CC/C(C)=C/CCC2=CC[C@@H](C3=CC(=O)O[C@@H]3O)O[C@@H]2O)C(C)(C)CCC1	ZINC000003874163	HJ	Annotated	Anodyne	 
CC(=O)O[C@]1(C(C)=O)[C@H](C)C[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000003876152	HJ	Annotated	Mild	in-man
COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2cc(C)nc21	ZINC000003927449	HJ	Annotated	Anodyne	
COc1cc(O)c(C(=O)/C=C/c2ccccc2)c2c1[C@@H]1[C@@H](C(C)C)CC[C@@](C)(O)[C@@H]1O2	ZINC000003935485	HJ	Annotated	Mild	in-vitro biogenic
CC(C)(C)C1CCC(CC2=C(OP(=O)(O)O)C(=O)c3ccccc3C2=O)CC1	ZINC000003937341	HJ	Annotated	Mild	
CC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(F)c(N(C)C)cc3Cl)ccnc21	ZINC000003942997	HJ	Annotated	Anodyne	
CC[C@@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CSCc4ccccc4)nc3n2)C1	ZINC000003955103	HJ	Annotated	Anodyne	
CC[C@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CSCc4ccccc4)nc3n2)C1	ZINC000003955104	HJ	Annotated	Anodyne	
CC[C@@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(CSCc4ccccc4)nc3n2)C1	ZINC000003955105	HJ	Annotated	Anodyne	
CC[C@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(CSCc4ccccc4)nc3n2)C1	ZINC000003955106	HJ	Annotated	Anodyne	
Cn1cccc1C(=O)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1	ZINC000003955713	HJ	Annotated	Anodyne	 
O=C(c1ccco1)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1	ZINC000003955721	HJ	Annotated	Anodyne	 
CN1CCC2(CC1)CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2	ZINC000003955771	HJ	Annotated	Anodyne	 
CC(=O)N1CCC[C@@]2(CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1	ZINC000003955826	HJ	Annotated	Anodyne	 
O=C(c1csnn1)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1	ZINC000003956140	HJ	Annotated	Anodyne	 
CN1CCCC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)C1	ZINC000003956220	HJ	Annotated	Anodyne	 
CC(C)(C[C@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1cc(F)ccc1O	ZINC000003962380	HJ	Annotated	Anodyne	
COc1ccc(C(=O)COc2cccc([N+](C)(C)Cc3ccccc3)c2)cc1OC	ZINC000003965856	HJ	Annotated	Bother	
C=C1C[C@@H](CCC)OC(=O)[C@@H](C)CCCC[C@@H]2O[C@@H](CC(=O)[C@@H](O)[C@H](C)C1)C[C@@H]2C	ZINC000003972946	HJ	Annotated	Mild	
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C	ZINC000003978021	HJ	Annotated	Anodyne	 
CCC[C@H](CC(=O)O)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21	ZINC000003988148	HJ	Annotated	Anodyne	
COc1ccc(Br)cc1[C@@H]1C2=C(O)CCCC2=NC2=C1C(=O)CCC2	ZINC000003990162	HJ	Annotated	Mild	
O=C(O)C[C@H](Cc1ccc(OCCc2ccc3c(n2)NCCC3)cc1)c1ccccc1	ZINC000003991703	HJ	Annotated	Anodyne	
CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)cc2Cl)cc1	ZINC000035002800	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)CSc2nnc(C)n2-c2cccc(Cl)c2)c(Cl)c1	ZINC000035002803	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2Cl)c(Cl)c1	ZINC000035002808	HJ	Annotated	Anodyne	
Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)cc2Cl)c(C)c1	ZINC000035002812	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)CSc2nnc(C)n2-c2cccc3cccnc23)c(Cl)c1	ZINC000035002857	HJ	Annotated	Anodyne	
CC1=C(CC/C(C)=C/CCC2=CC[C@@H](C3=CC(=O)O[C@@H]3O)O[C@H]2O)C(C)(C)CCC1	ZINC000035024841	HJ	Annotated	Anodyne	 
CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@@H]4O[C@@H](C/C(C)=C\CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31	ZINC000035086305	HJ	Annotated	Anodyne	
COc1cc(O)c(O)c2c1C(=O)O[C@@H]2CCCCCCCCCC(=O)CC[C@@H](C)O	ZINC000035086381	HJ	Annotated	Clean	
COc1ccc2[nH]cc(Cc3nc4c5c(ccc4c(C(=O)O)c3O)CCCC5)c2c1	ZINC000035087069	HJ	Annotated	Anodyne	
CC(=O)n1cc(Cc2nc3c4c(ccc3c(C(=O)O)c2O)CCCC4)c2ccccc21	ZINC000035087078	HJ	Annotated	Anodyne	
CC(=O)Oc1c(Cc2ccc(Cl)cc2)nc2c3c(ccc2c1C(=O)O)CCCC3	ZINC000035087079	HJ	Annotated	Anodyne	
O=C(O)c1c(O)c(Cc2c[nH]c3ccccc23)nc2c(OC(F)(F)F)cccc12	ZINC000035087105	HJ	Annotated	Anodyne	
CCN(CC)CCSc1nc(N)c(C#N)c(-c2cccc(Cl)c2Cl)c1C#N	ZINC000035087259	HJ	Annotated	Mild	
COP(=O)(OC)[C@H](OC(=O)COc1c(Cl)cccc1Cl)c1ccco1	ZINC000035259296	HJ	Annotated	Anodyne	 
COP(=O)(OC)[C@@H](OC(=O)COc1c(Cl)cccc1Cl)c1ccco1	ZINC000035259297	HJ	Annotated	Anodyne	 
COP(=O)(OC)[C@H](OC(=O)COc1cccc(Cl)c1Cl)c1ccco1	ZINC000035259298	HJ	Annotated	Anodyne	 
COP(=O)(OC)[C@@H](OC(=O)COc1cccc(Cl)c1Cl)c1ccco1	ZINC000035259299	HJ	Annotated	Anodyne	 
COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1C)c1cccs1	ZINC000035259316	HJ	Annotated	Anodyne	 
COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1C)c1cccs1	ZINC000035259317	HJ	Annotated	Anodyne	 
COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)c(C)c1)c1cccs1	ZINC000035259318	HJ	Annotated	Anodyne	 
COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)c(C)c1)c1cccs1	ZINC000035259319	HJ	Annotated	Anodyne	 
COP(=O)(OC)[C@@H](OC(=O)COc1cc(C)ccc1Cl)c1cccs1	ZINC000035259320	HJ	Annotated	Anodyne	 
COP(=O)(OC)[C@H](OC(=O)COc1cc(C)ccc1Cl)c1cccs1	ZINC000035259321	HJ	Annotated	Anodyne	 
O=S(=O)(c1ccc(Cl)cc1)c1cnc2c(NCC3CCOCC3)cccc2c1	ZINC000035269148	HJ	Annotated	Anodyne	
CN(C)c1ccc2c(-c3ccsc3C(=O)O)c3ccc(=[N+](C)C)cc-3sc2c1	ZINC000035306088	HJ	Annotated	Bother	
CC(=O)c1cccc(NC(=O)Nc2nc(SCCOc3ccccc3)ns2)c1	ZINC000035314225	HJ	Annotated	Anodyne	 
Cc1cc(C)nc(N/N=C\C2=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC2)n1	ZINC000035334820	HJ	Annotated	Mild	 
CC(=O)C1=CC[C@H](c2cccc3ccccc23)N(S(=O)(=O)c2ccc(C)cc2)C1	ZINC000035817096	HJ	Annotated	Mild	 
CC(=O)C1=CC[C@@H](c2cccc3ccccc23)N(S(=O)(=O)c2ccc(C)cc2)C1	ZINC000035817098	HJ	Annotated	Mild	 
CC(C)(C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cccc2c1OCC2	ZINC000035826771	HJ	Annotated	Anodyne	
CC(C)(C[C@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cccc2c1OCC2	ZINC000035826772	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)Sc1ncnc(N(C)c3cccc(Cl)c3)c1NC2	ZINC000035848642	HJ	Annotated	Anodyne	
C=CCNC(=O)c1ccc(-c2ccc(-c3ccccc3)n2Cc2cccc(N)n2)cc1	ZINC000035901446	HJ	Annotated	Mild	
Cc1ccccc1NC(=O)N(c1ccc(F)cc1)c1ccnc(N[C@@H](C)C(C)(C)O)n1	ZINC000035919745	HJ	Annotated	Anodyne	
O[C@H]1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCc1ccc2[nH]ccc2c1	ZINC000035943393	HJ	Annotated	Anodyne	
Cc1cc(-c2noc(NC(=O)Cc3ccccc3C)c2-c2ccncn2)ccc1F	ZINC000035951162	HJ	Annotated	Anodyne	 
C=C1[C@@H](C)C[C@@H](OC(=O)/C=C/c2ccccc2)[C@@]2(C)[C@H]1CC=C1[C@@H](OC)O[C@@H](OC)[C@@H]12	ZINC000035951686	HJ	Annotated	Mild	 
COC(=O)c1ccccc1-c1c2ccc(=[N+](C)C)cc-2sc2cc(N(C)C)ccc12	ZINC000035952357	HJ	Annotated	Bother	
COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)C[C@H]1CCC[N+]1([O-])C3	ZINC000035968573	HJ	Annotated	Bother	 
O=C(Cc1ccccc1Cl)Nc1onc(-c2ccc(F)cc2)c1-c1ccncn1	ZINC000035983886	HJ	Annotated	Anodyne	 
C[C@@H](c1cccc(OCCCNC(=O)CCCC[C@@H]2CCSS2)c1)N(C)C	ZINC000035997366	HJ	Annotated	Reactive	
C[C@H](c1cccc(OCCCNC(=O)CCCC[C@@H]2CCSS2)c1)N(C)C	ZINC000035997367	HJ	Annotated	Reactive	
C[C@@H](c1cccc(OCCCNC(=O)CCCC[C@H]2CCSS2)c1)N(C)C	ZINC000035997368	HJ	Annotated	Reactive	
C[C@H](c1cccc(OCCCNC(=O)CCCC[C@H]2CCSS2)c1)N(C)C	ZINC000035997369	HJ	Annotated	Reactive	
COC(=O)c1cc(-c2cc(O)c(Sc3ccccc3C(C)C)c(=O)o2)ccc1O	ZINC000036124583	HJ	Annotated	Anodyne	
Cn1c(=O)cc(NC2CCN(C/C=C/c3ccccc3)CC2)c2cc(Cl)ccc21	ZINC000036126677	HJ	Annotated	Anodyne	
CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(F)cc3)nc1)C2	ZINC000036126717	HJ	Annotated	Anodyne	
CNc1nccc(-c2ccc(C(=O)N[C@H](C)Cc3ccc(Cl)cc3Cl)s2)n1	ZINC000036144140	HJ	Annotated	Anodyne	
Cc1c(C(=O)O[C@@H](C)C(C)(C)C)c[nH]c1C(=O)Oc1c(F)c(F)c(F)c(F)c1F	ZINC000036159439	HJ	Annotated	Unstable	
Cc1c(C(=O)O[C@H](C)C(C)(C)C)c[nH]c1C(=O)Oc1c(F)c(F)c(F)c(F)c1F	ZINC000036159443	HJ	Annotated	Unstable	
O=C(N[C@@H]1Cc2ccc(Cl)cc2[C@H]1O)c1cc2sc(Cl)c(Cl)c2[nH]1	ZINC000036177553	HJ	Annotated	Anodyne	
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCn2ccc3ccccc32)n1	ZINC000036184571	HJ	Annotated	Reactive	
CC(C)c1ncc(/C=C/C#N)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	ZINC000036184775	HJ	Annotated	Reactive	
CN(C)C(=O)C[C@]1(O)CCC[C@H](/C=C/[C@H](O)CCCCc2ccc(N=[N+]=[N-])cc2)C1	ZINC000036189833	HJ	Annotated	Mild	
CN(C)C(=O)C[C@@]1(O)CCC[C@H](/C=C/[C@H](O)CCCCc2ccc(N=[N+]=[N-])cc2)C1	ZINC000036189835	HJ	Annotated	Mild	
CN(C)C(=O)C[C@]1(O)CCC[C@@H](/C=C/[C@H](O)CCCCc2ccc(N=[N+]=[N-])cc2)C1	ZINC000036189837	HJ	Annotated	Mild	
CN(C)C(=O)C[C@@]1(O)CCC[C@@H](/C=C/[C@H](O)CCCCc2ccc(N=[N+]=[N-])cc2)C1	ZINC000036189840	HJ	Annotated	Mild	
Cc1nc2c(=O)n(Cc3ccccc3)nc(C(C)C)c2c2cc(-c3ccccc3)nn12	ZINC000036242946	HJ	Annotated	Anodyne	
CCc1ccc(C(=O)CSC2=NC(C)=C(C(C)=O)[C@@H](c3ccco3)[C@@H]2C#N)cc1	ZINC000036261444	HJ	Annotated	Mild	
CCc1ccc(C(=O)CSC2=NC(C)=C(C(C)=O)[C@@H](c3ccco3)[C@H]2C#N)cc1	ZINC000036261449	HJ	Annotated	Mild	
CCc1ccc(C(=O)CSC2=NC(C)=C(C(C)=O)[C@H](c3ccco3)[C@@H]2C#N)cc1	ZINC000036261453	HJ	Annotated	Mild	
CCc1ccc(C(=O)CSC2=NC(C)=C(C(C)=O)[C@H](c3ccco3)[C@H]2C#N)cc1	ZINC000036261456	HJ	Annotated	Mild	
CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCCOC(=O)c2ccccc2)C1	ZINC000036271544	HJ	Annotated	Anodyne	 
O[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccc2[nH]ccc2c1	ZINC000036271626	HJ	Annotated	Anodyne	
O=C(c1c[nH]c2c(OCc3ccccc3)cccc12)[C@@H]1CS[C@@H](c2cccnc2)N1	ZINC000036331778	HJ	Annotated	Anodyne	
COc1cc(Nc2ncc3ccn(-c4ccc(SC)cc4)c3n2)cc(OC)c1OC	ZINC000036348815	HJ	Annotated	Anodyne	
C[C@H](Nc1cc(-c2ccoc2)nc(-n2cnc3ccncc32)n1)c1ccc(F)cc1	ZINC000036348908	HJ	Annotated	Anodyne	
C[C@@H](Cc1ccc(Cl)cc1)Sc1nsc(Nc2cccnc2)c1C(N)=O	ZINC000036349015	HJ	Annotated	Anodyne	
C[C@H](Cc1ccc(Cl)cc1)Sc1nsc(Nc2cccnc2)c1C(N)=O	ZINC000036349019	HJ	Annotated	Anodyne	
CCCCCCCn1nnc([C@H](NC(=O)c2c(C)cccc2C)c2ccccc2)n1	ZINC000036349862	HJ	Annotated	Mild	
CCCCCCCn1nnc([C@@H](NC(=O)c2c(C)cccc2C)c2ccccc2)n1	ZINC000036349866	HJ	Annotated	Mild	
CC(=O)OCC/C(=C\C[C@]1(O)[C@H](C)CC[C@@H]2C(C)(C)CCC[C@@]21C)COC(C)=O	ZINC000036378804	HJ	Annotated	Anodyne	
CC(=O)OCC/C(=C\C[C@]1(O)[C@@H](C)CC[C@@H]2C(C)(C)CCC[C@@]21C)COC(C)=O	ZINC000036378806	HJ	Annotated	Anodyne	
CC(=O)OCC/C(=C\C[C@]1(O)[C@H](C)CC[C@H]2C(C)(C)CCC[C@@]21C)COC(C)=O	ZINC000036378807	HJ	Annotated	Anodyne	
CC(=O)OCC/C(=C\C[C@]1(O)[C@@H](C)CC[C@H]2C(C)(C)CCC[C@@]21C)COC(C)=O	ZINC000036378808	HJ	Annotated	Anodyne	
CCCC[C@]12Cc3cc(OC)c(OC)cc3[C@H](O1)C1=C(O2)C(=O)c2ccccc2C1=O	ZINC000036379184	HJ	Annotated	Mild	
COc1cc2c(cc1OC)[C@@H]1O[C@](c3ccsc3)(C2)OC2=C1C(=O)CC(C)(C)C2	ZINC000036379190	HJ	Annotated	Mild	
COc1ccc2c3c(c(=O)oc2c1)[C@H]1O[C@](c2ccsc2)(Cc2ccccc21)O3	ZINC000036379200	HJ	Annotated	Anodyne	
COc1ccc([C@]23Cc4ccccc4[C@H](O2)C2=C(O3)C(=O)c3ccccc3C2=O)cc1	ZINC000036379216	HJ	Annotated	Mild	
CCCC[C@]12Cc3cc(C#N)ccc3[C@H](O1)c1c(cc(C)n(-c3ccccc3)c1=O)O2	ZINC000036379227	HJ	Annotated	Mild	
N#Cc1ccc2c(c1)C[C@]1(c3ccsc3)Oc3c(c(=O)oc4ccc(F)cc34)[C@H]2O1	ZINC000036379234	HJ	Annotated	Mild	
Cn1nnnc1Sc1ncnc2scc(-c3ccc(-c4ccccc4)cc3)c12	ZINC000036380196	HJ	Annotated	Anodyne	 
CNc1c(Br)cc([C@H](O)C2=CCc3ccccc32)cc1Br	ZINC000036381173	HJ	Annotated	Anodyne	 
CC(C)(C)c1ccc(C(=O)C[n+]2cc(Br)cc(Br)c2)cc1	ZINC000036381202	HJ	Annotated	Mild	 
O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1cccc(F)c1	ZINC000036381516	HJ	Annotated	Mild	 
CC(C)N1CCc2c(sc(NC(=O)C(F)F)c2-c2nc3ccccc3s2)C1	ZINC000036381554	HJ	Annotated	Anodyne	 
C/C=C/c1cc2ccccc2c2c(C(=O)OC)c(C(=O)OC)c(C(=O)OC(C)(C)C)n12	ZINC000036381619	HJ	Annotated	Anodyne	
C[C@@H]1/C=C/CC(=O)N[C@H](c2ccccc2)[C@H](C)/C=C/CC(=O)N[C@@H]1c1ccccc1	ZINC000036381745	HJ	Annotated	Anodyne	 
C[C@@H]1/C=C/CC(=O)N2[C@H](CC(=O)N[C@@H]1c1ccccc1)C[C@@H](C)[C@H]2c1ccccc1	ZINC000036381795	HJ	Annotated	Anodyne	 
C[C@H]1/C=C/CC(=O)N[C@@H](c2ccccc2)[C@@H](C)/C=C/CC(=O)N[C@H]1c1ccccc1	ZINC000036381796	HJ	Annotated	Anodyne	 
C[C@@H]1C=CCCO[C@]12C(=O)N(Cc1ccc(F)cc1)c1cccc(Br)c12	ZINC000036381893	HJ	Annotated	Anodyne	 
COc1cc2c(cc1OC)[C@@]1(c3ccccc3)CCCC[C@H]1[C@@H]2NC(=O)C(F)(F)F	ZINC000036381912	HJ	Annotated	Anodyne	 
CC1=CC[C@@H](COc2ccccc2)O[C@@]2(C1)C(=O)Nc1cccc(Br)c12	ZINC000036381948	HJ	Annotated	Anodyne	 
CC1=C[C@@H](COCc2ccccc2)O[C@@]2(C1)C(=O)Nc1cccc(Br)c12	ZINC000036382056	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2c3c(nc(C)[nH]c3=O)Oc3ccc4ccccc4c32)cc1OC	ZINC000036382509	HJ	Annotated	Anodyne	
CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(Cc1ccccc1)C(=O)c1ccccc12	ZINC000036382890	HJ	Annotated	Anodyne	 
O=C1CCC[C@@H]2C[C@@]3(C[C@@H]4CCN1[C@@H]42)Nc1ccccc1NC3=NCc1ccccc1	ZINC000036383090	HJ	Annotated	Mild	
CCOC(=O)[C@]12Cc3ccsc3[C@H]1N(Cc1ccccc1)C(=O)c1ccccc12	ZINC000036383091	HJ	Annotated	Anodyne	 
O=C1CCC[C@@H]2C[C@@]3(C[C@@H]4CCN1[C@@H]42)Nc1ccccc1NC3=NC1CCCCC1	ZINC000036383166	HJ	Annotated	Mild	
COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCCC1	ZINC000036384234	HJ	Annotated	Anodyne	 
COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1	ZINC000036384244	HJ	Annotated	Anodyne	 
COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1	ZINC000036384275	HJ	Annotated	Anodyne	 
Cc1ccc2c(c1)NC(=O)[C@@]1(C)[C@@H](c3ccccc3)[C@H]3COc4ccccc4[C@@H]3N1C2=O	ZINC000036387247	HJ	Annotated	Anodyne	 
Nc1c(Cl)cc(-c2cn(CCC(=O)O)c(-c3ccc(Cl)nc3)n2)cc1Cl	ZINC000036387394	HJ	Annotated	Anodyne	 
CC[C@@]1(c2ccccc2)ON(c2c(Br)cccc2Br)C1=O	ZINC000036387686	HJ	Annotated	Anodyne	 
CC[C@]1(c2ccccc2)ON(c2c(Br)cccc2Br)C1=O	ZINC000036387687	HJ	Annotated	Anodyne	 
COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NC1CC1	ZINC000036388456	HJ	Annotated	Anodyne	 
CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1ccc(-c3ccccc3)c(F)c1)C2	ZINC000036388460	HJ	Annotated	Anodyne	 
COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NC(C)C	ZINC000036388462	HJ	Annotated	Anodyne	 
COc1ccc([C@@H]2/C=C/CN(Cc3ccco3)CC(=O)N2Cc2ccc(F)cc2)cc1	ZINC000036388491	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2C=CCN(CC(C)C)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1	ZINC000036388514	HJ	Annotated	Anodyne	 
COc1ccc([C@@H]2/C=C/CN(CC(C)C)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1	ZINC000036388518	HJ	Annotated	Anodyne	
COc1ccc(-c2sc3ccc(N4CCOCC4)cc3c2C#CC(C)(C)O)cc1	ZINC000036388697	HJ	Annotated	Mild	 
CC[C@@H](CO)Oc1cc(NC(=O)c2cccc(Cl)c2)c2ncn(C(C)C)c2c1	ZINC000036389251	HJ	Annotated	Anodyne	 
CC[C@H](CO)Oc1cc(NC(=O)c2cccc(Cl)c2)c2ncn(C(C)C)c2c1	ZINC000036389252	HJ	Annotated	Anodyne	 
CC(=O)OC[C@H](O)COC(=O)[C@H]1[C@H](C)C=C[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)CCC[C@@]21C	ZINC000036402117	HJ	Annotated	Anodyne	 
COc1cccc2c(-c3c(O)cc(OC)c4c(C)nc(CO)cc34)c(C)cc(O)c12	ZINC000036409464	HJ	Annotated	Anodyne	
CC(C)=CCC[C@@]1(C)Oc2c(C(=O)/C=C/c3ccc(O)cc3)ccc(O)c2C[C@H]1O	ZINC000036409531	HJ	Annotated	Mild	
CC(C)=CCC[C@@]1(C)Oc2c(C(=O)/C=C/c3ccc(O)cc3)ccc(O)c2C[C@@H]1O	ZINC000036409533	HJ	Annotated	Mild	
CC(C)=CCC[C@](C)(O)[C@@H]1Cc2c(ccc(C(=O)/C=C/c3ccc(O)cc3)c2O)O1	ZINC000036409535	HJ	Annotated	Mild	
CC(C)=CCC[C@](C)(O)[C@H]1Cc2c(ccc(C(=O)/C=C/c3ccc(O)cc3)c2O)O1	ZINC000036409537	HJ	Annotated	Mild	
Fc1cc(F)c(-c2c(Cl)nc(-c3cnccn3)nc2NCC(F)(F)F)c(F)c1	ZINC000036425448	HJ	Annotated	Anodyne	
Cc1c([C@H](C)[C@@H]2NC[C@@H](C)C[C@H]2O)ccc2c1C[C@H]1[C@H]2CC[C@H]2CC(=O)CC[C@@]21C	ZINC000036443790	HJ	Annotated	Anodyne	
CC1(C)C(=O)[C@H]2O[C@H]2[C@@]2(C)[C@H]1C[C@@H](O)[C@@]1(C)C3=CC[C@@H](c4ccoc4)[C@]3(C)CC[C@@H]12	ZINC000036454270	HJ	Annotated	Anodyne	 
CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OCC)c1F	ZINC000036475536	HJ	Annotated	Anodyne	
Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(N)=O	ZINC000036479220	HJ	Annotated	Anodyne	 
C=CCn1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN([C@@H]1CCSC1)CC2	ZINC000036479449	HJ	Annotated	Mild	
C=CCn1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN([C@H]1CCSC1)CC2	ZINC000036479450	HJ	Annotated	Mild	
O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[n+](=O)c2ccc(Cl)cc2n1O	ZINC000377799778	HJ	Annotated	Anodyne	
N=c1ccc2c3ccc(N)cc3c(-c3ccccc3)n(Cc3ccc(C(N)=O)cc3)c-2c1	ZINC000377799870	HJ	Annotated	Bother	
N#Cc1c(-c2ccc(OC(F)(F)F)cc2)[n+](=O)c2cc(Cl)c(Cl)cc2n1O	ZINC000377810678	HJ	Annotated	Mild	
COc1ccc2cc3n(cc-2c1=NCc1ccccc1)CCc1cc2c(cc1-3)OCO2	ZINC000377839276	HJ	Annotated	Anodyne	
COc1ccc(N=c2c(C#N)c3n(C)c4ccccc4n3c3ccccc23)cc1OC	ZINC000377840124	HJ	Annotated	Mild	
C1#CCN=C2C=CN(CCCCCN3C=CC(=NC1)c1ccccc13)c1ccccc12	ZINC000377845841	HJ	Annotated	Mild	
CCCS(=O)(=O)Nc1ccc(N=c2c3ccccc3n(C)c3ccccc23)cc1	ZINC000377853472	HJ	Annotated	Bother	
CN1CCCN=C1c1ccc(-c2ccc(-c3ccc(C4=NCCCN4C)cc3)o2)cc1	ZINC000377858600	HJ	Annotated	Anodyne	
O=S(=O)(N[C@H]1[C@H]2CC[C@@H]1Cc1cc(Cl)ccc1C2)c1ccc(Cl)s1	ZINC000038140964	HJ	Annotated	Anodyne	
O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1ccc(Cl)cc1C2)c1ccc(Cl)s1	ZINC000038140965	HJ	Annotated	Anodyne	
O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1cccc(Cl)c1C2)c1ccc(Cl)s1	ZINC000038140966	HJ	Annotated	Anodyne	
CNc1c(Br)cc([C@@H](O)C2=CCc3ccccc32)cc1Br	ZINC000038142119	HJ	Annotated	Anodyne	 
CC(C)CCn1c(Cn2c(=O)n(CCCCC#N)c3ccccc32)nc2ccccc21	ZINC000038142839	HJ	Annotated	Mild	
CC(C)CCn1c(Cn2c(=O)n(CCCC#N)c3ccccc32)nc2ccccc21	ZINC000038142843	HJ	Annotated	Mild	
COc1ccc([C@H]2c3c(nc(C)[nH]c3=O)Oc3ccc4ccccc4c32)cc1OC	ZINC000038142905	HJ	Annotated	Anodyne	
CCCCCCCCN1[C@@H](CC(=O)O)c2ccc(C(F)(F)F)cc2S1(=O)=O	ZINC000038143017	HJ	Annotated	Mild	 
CCCCCCCCN1[C@@H](CC(=O)OC)c2cc(C(F)(F)F)ccc2S1(=O)=O	ZINC000038143021	HJ	Annotated	Mild	 
CCCCCCCCN1[C@@H](CC(=O)O)c2cc(C(F)(F)F)ccc2S1(=O)=O	ZINC000038143030	HJ	Annotated	Mild	 
CCCCCCCCN1[C@@H](CC(C)=O)c2ccc(/C=C/C(C)=O)cc2S1(=O)=O	ZINC000038143037	HJ	Annotated	Mild	
CC(=O)O[C@@H]1C/C(=C/C[C@@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CCC[C@@]32CO2)[C@@H](OC(C)=O)O1	ZINC000038148081	HJ	Annotated	Anodyne	 
C=C1CCC[C@@H]2[C@@](C)(C/C(OC(C)=O)=C(/CO)CCOC(C)=O)[C@@H](C)CC[C@@]12C	ZINC000038148098	HJ	Annotated	Mild	
C=C1CCC[C@@H]2[C@@](C)(C/C(OC(C)=O)=C(\CCO)COC(C)=O)[C@@H](C)CC[C@@]12C	ZINC000038148108	HJ	Annotated	Mild	
COc1cc2c(cc1OC)Oc1ncnc(Oc3cccc(Cl)c3F)c1NC2	ZINC000038149518	HJ	Annotated	Anodyne	
O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(CO)ccc2c1	ZINC000038149724	HJ	Annotated	Anodyne	
CC1=C(C)C(=O)C([C@H](c2cccnc2)c2cccc(/C=C(\C)C(=O)O)c2)=C(C)C1=O	ZINC000038159532	HJ	Annotated	Mild	
CC1=C(C)C(=O)C([C@@H](c2cccnc2)c2cccc(/C=C(\C)C(=O)O)c2)=C(C)C1=O	ZINC000038159534	HJ	Annotated	Mild	
C=CC/C=C/Cc1csc(C(C)(C)[C@@H](O)C/C=C/C(=C)CCNC(=O)OC)n1	ZINC000038194803	HJ	Annotated	Mild	
C=CC(C)(C)c1cc(OC)c(OC)cc1-c1coc2cc(OC)cc(OC)c2c1=O	ZINC000038209819	HJ	Annotated	Mild	
C=CCCCCCCCCOC(=O)[C@@H]1CSC(C)(C)N1C(=O)C(=O)C(C)(C)C	ZINC000038239361	HJ	Annotated	Mild	
CC1=CCCC(C)(C)[C@@H]1CC/C(C)=C/CC/C(C=O)=C\C[C@@H](O)C1=CC(=O)O[C@H]1O	ZINC000038262716	HJ	Annotated	Reactive	
N#CC1=C(c2cc(Cl)cc(Cl)c2)C(=O)N2CCC[C@@]12Cc1ccc(C#N)cc1	ZINC000038268453	HJ	Annotated	Reactive	
CC(C)=CCc1c(O)c2c(c3c1OC(=O)C[C@H]3c1ccccc1)O[C@@H](C)[C@H](C)C2=O	ZINC000038319529	HJ	Annotated	Anodyne	in-vitro biogenic
O=C(NC(=O)c1csnn1)OCCCCCCCCCCCCBr	ZINC000038319831	HJ	Annotated	Reactive	 
CC(C)(C)OC(=O)N(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(Cl)cc1	ZINC000038334273	HJ	Annotated	Anodyne	 
C[C@]1(CO)CCC[C@@]2(CO)[C@H]1CC[C@@]1(C)[C@@H]3Cc4cc(O)ccc4O[C@@]3(C)CC[C@H]21	ZINC000038334384	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2CC3(N4CCCCC4)C[C@@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1	ZINC000038346900	HJ	Annotated	Anodyne	 
COc1ccc([C@@H]2CC3(N4CCCCC4)C[C@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1	ZINC000038346901	HJ	Annotated	Anodyne	 
CCCCn1nccc1[C@H](NS(=O)(=O)c1ccc(Cl)s1)C(CC)CC	ZINC000038359157	HJ	Annotated	Anodyne	
CCCCn1nccc1[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(CC)CC	ZINC000038359158	HJ	Annotated	Anodyne	
Cc1ccc(-n2nccc2[C@H](NS(=O)(=O)c2ccc(Cl)s2)C(C)C)cc1	ZINC000038359309	HJ	Annotated	Anodyne	
Cc1ccc(-n2nccc2[C@@H](NS(=O)(=O)c2ccc(Cl)s2)C(C)C)cc1	ZINC000038359310	HJ	Annotated	Anodyne	
CCOC(=O)/C(C#N)=C1\C=CN(C2CC2)c2c1cc(F)c(-c1cc(C)nc(C)c1)c2F	ZINC000038361457	HJ	Annotated	Reactive	
CC1(C)Oc2ncnc(N)c2C=C1c1ccc2c(c1)CCC21CCC(CC(=O)O)CC1	ZINC000038427761	HJ	Annotated	Anodyne	
COC(=O)c1ccc(NCc2cncn2Cc2ccccc2N)cc1-c1ccccc1	ZINC000038448662	HJ	Annotated	Anodyne	
CC(C)=CCC[C@H](C)[C@@]1(O)CC[C@]2(C)C[C@H]3[C@H]4C(=CC[C@@H]12)C(=O)O[C@H]4C[C@@]3(C)O	ZINC000038558873	HJ	Annotated	Anodyne	
O=C(Nc1cccnc1)C(=O)c1cc(Cc2ccc(F)cc2)n2ccc(Cl)cc12	ZINC000038559150	HJ	Annotated	Anodyne	 
COc1cc([C@H]2C(C#N)=COc3c2ccc2[nH]ccc32)cc(Br)c1OC	ZINC000038559279	HJ	Annotated	Reactive	
COc1cc([C@@H]2C(C#N)=COc3c2ccc2[nH]ccc32)cc(Br)c1OC	ZINC000038559280	HJ	Annotated	Reactive	
CC1=C(CC/C(=C\C[C@H]2OC(=O)C=C2CO)CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1	ZINC000038627977	HJ	Annotated	Anodyne	
C=C(C)[C@@]1(CC/C(C)=C/CC/C(C=O)=C\C[C@@H](O)C2=CC(=O)O[C@H]2O)CCC[C@H]1C	ZINC000038629691	HJ	Annotated	Reactive	
CC1=C(CC/C(=C/C[C@H]2OC(=O)C=C2CO)CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1	ZINC000038726417	HJ	Annotated	Anodyne	 
CCOC(=O)C1=CN(C(=O)c2ccc(Cl)cc2)C[C@H](C)c2c1[nH]c1ccccc21	ZINC000038727815	HJ	Annotated	Anodyne	
CCOC(=O)C1=CN(C(=O)c2ccc(Cl)cc2)C[C@@H](C)c2c1[nH]c1ccccc21	ZINC000038727817	HJ	Annotated	Anodyne	
C=C[C@](C)(O)CCC1=C(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]12C	ZINC000038797590	HJ	Annotated	Mild	in-vitro biogenic
O=C1OC2=C(c3ccccc3)C(=O)C(O)=C(c3ccccc3)C2=C1c1ccc(O)cc1	ZINC000038797659	HJ	Annotated	Mild	 
COc1ccc2c(c1O)-c1c(OC)cc(O)c3c1[C@@H]1[C@H](CC3=O)c3ccccc3O[C@@H]21	ZINC000038838967	HJ	Annotated	Anodyne	
C=C1C[C@H](C)C(=O)[C@@H](O)C[C@H]2C[C@H](C)[C@H](CCCC[C@H](C)C(=O)O[C@H](CCC)C1)O2	ZINC000038839233	HJ	Annotated	Mild	
C=C1CCC[C@@H]2[C@]1(C)C[C@@H](O)[C@H](C)[C@@]2(C)CC/C(C)=C/C[C@@H](O)C1=CC(=O)OC1	ZINC000038897481	HJ	Annotated	Mild	
CC(C)=C[C@@H]1C/C(=C/CC/C(C)=C/CC/C(C)=C/C[C@@H](O)C2=CC(=O)OC2)C(=O)O1	ZINC000038899731	HJ	Annotated	Anodyne	
CC(C)=C[C@H]1C/C(=C/CC/C(C)=C/CC/C(C)=C/C[C@@H](O)C2=CC(=O)OC2)C(=O)O1	ZINC000038899733	HJ	Annotated	Anodyne	
CC(=O)O[C@@H](CO)COC(=O)[C@H]1[C@H](C)C=C[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)CCC[C@@]21C	ZINC000038900518	HJ	Annotated	Anodyne	
CC1=C(CC/C(=C\C=C\C2=CC(=O)O[C@H]2O)CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1	ZINC000038938373	HJ	Annotated	Anodyne	
C=C[C@]1(C)C(Cl)=C[C@H]2C(=O)[C@]1(N=C=S)c1cccc3c1[C@H](C(=O)N3C)C2(C)C	ZINC000038939202	HJ	Annotated	Reactive	
CCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)OCC)C1CC(=O)c1ccccc1	ZINC000038967984	HJ	Annotated	Anodyne	 
C=CC/C=C\C/C=C\CCCCCCC[C@@H](C(=O)OC)C(=O)/C(=C\C(=O)OC)OC	ZINC000039011624	HJ	Annotated	Mild	
C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(CO)Cc1cc(C(=O)OC)cc(OC)c1O	ZINC000039062756	HJ	Annotated	Mild	
CC(=O)C[C@@H]1OCC2=C1[C@H](/C=C/OC(=O)C=C(C)C)[C@@](C)(CCC=C(C)C)C[C@@H]2O	ZINC000039143667	HJ	Annotated	Anodyne	 
Cc1c([C@H](C)[C@@H]2NC[C@@H](C)C[C@H]2O)ccc2c1C[C@H]1[C@H]2CCC2=CC(=O)C=C[C@@]21C	ZINC000039180986	HJ	Annotated	Mild	
Cc1cc(Nc2ccc(I)cc2)c2c(ccc3[nH]cnc32)n1	ZINC000039214823	HJ	Annotated	Anodyne	 
Cc1nc(SCC(=O)Nc2sccc2C#N)n(Cc2ccc(Cl)cc2)c1C	ZINC000039231289	HJ	Annotated	Mild	
Cc1ccc(C(CCN(C(C)C)C(C)C)(CCN(C(C)C)C(C)C)C(N)=O)cc1	ZINC000039254097	HJ	Annotated	Anodyne	
CC(C)N(CC[C@@](CCN1[C@@H](C)CCC[C@H]1C)(C(N)=O)c1ccccc1F)C(C)C	ZINC000039254157	HJ	Annotated	Anodyne	
CC(C)N(CC[C@@](CCN1[C@@H](C)CCC[C@@H]1C)(C(N)=O)c1ccccc1F)C(C)C	ZINC000039254158	HJ	Annotated	Anodyne	
CC(C)(C)c1cc(I)c2c(c1)C[N+](C)(C)C1(CCCC1)O2	ZINC000039318376	HJ	Annotated	Bother	
C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C	ZINC000039560256	HJ	Annotated	Mild	 
CC(C)(C)O[C@@H]1CC[C@@](CO)(NC(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000039927540	HJ	Annotated	Anodyne	 
CC(C)(C)O[C@H]1CC[C@@](CO)(NC(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000039927541	HJ	Annotated	Anodyne	 
CC(C)(C)O[C@H]1CC[C@](CO)(NC(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000039927542	HJ	Annotated	Anodyne	 
CCC[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(C(=O)O)ccc2N1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000004020265	HJ	Annotated	Clean	 
CCC[C@@H]1[C@H]2CC=C[C@@H]2c2cc(C(=O)O)ccc2N1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000004020267	HJ	Annotated	Clean	 
Cc1cc2cc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)c(=O)[nH]c2cc1C	ZINC000004032764	HJ	Annotated	Anodyne	 
CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2N)cc1	ZINC000004036771	HJ	Annotated	Anodyne	
CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2N)cc1	ZINC000004036781	HJ	Annotated	Anodyne	
Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12	ZINC000004036858	HJ	Annotated	Anodyne	
Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12	ZINC000004036861	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1	ZINC000004041503	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1	ZINC000004041510	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1	ZINC000004041527	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1	ZINC000004041535	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12	ZINC000004043171	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12	ZINC000004043172	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc2ccccc12	ZINC000004043173	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc2ccccc12	ZINC000004043174	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl	ZINC000004043189	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl	ZINC000004043190	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(F)cc1Cl	ZINC000004043191	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(F)cc1Cl	ZINC000004043194	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F	ZINC000004043237	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F	ZINC000004043239	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)cc1F	ZINC000004043241	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)cc1F	ZINC000004043243	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F	ZINC000004049531	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F	ZINC000004049532	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F	ZINC000004049533	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F	ZINC000004049534	HJ	Annotated	Anodyne	
COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1	ZINC000004049633	HJ	Annotated	Anodyne	
COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1	ZINC000004049634	HJ	Annotated	Anodyne	
COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1	ZINC000004049635	HJ	Annotated	Anodyne	
COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1	ZINC000004049636	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)cc1	ZINC000004051413	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)cc1	ZINC000004051414	HJ	Annotated	Anodyne	
COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1	ZINC000004051523	HJ	Annotated	Anodyne	
COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1	ZINC000004051524	HJ	Annotated	Anodyne	
COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1	ZINC000004051528	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OCC	ZINC000004055242	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OCC	ZINC000004055243	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1OCC	ZINC000004055244	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1OCC	ZINC000004055245	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OCC)cc1	ZINC000004055262	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OCC)cc1	ZINC000004055263	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OCC)cc1	ZINC000004055264	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OCC)cc1	ZINC000004055265	HJ	Annotated	Anodyne	
O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1	ZINC000004055278	HJ	Annotated	Anodyne	
O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1	ZINC000004055279	HJ	Annotated	Anodyne	
COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1	ZINC000004055370	HJ	Annotated	Anodyne	
COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(C(C)C)cc1	ZINC000004055371	HJ	Annotated	Anodyne	
COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1	ZINC000004055372	HJ	Annotated	Anodyne	
COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(C(C)C)cc1	ZINC000004055373	HJ	Annotated	Anodyne	
O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1	ZINC000004055556	HJ	Annotated	Anodyne	
O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1	ZINC000004055557	HJ	Annotated	Anodyne	
N#CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12	ZINC000004055572	HJ	Annotated	Mild	
N#CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12	ZINC000004055573	HJ	Annotated	Mild	
N#CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12	ZINC000004055574	HJ	Annotated	Mild	
N#CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12	ZINC000004055575	HJ	Annotated	Mild	
COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12	ZINC000004055608	HJ	Annotated	Anodyne	
COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12	ZINC000004055609	HJ	Annotated	Anodyne	
COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12	ZINC000004055610	HJ	Annotated	Anodyne	
COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12	ZINC000004055611	HJ	Annotated	Anodyne	
O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1	ZINC000004055974	HJ	Annotated	Anodyne	
O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1	ZINC000004055975	HJ	Annotated	Anodyne	
O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1	ZINC000004055976	HJ	Annotated	Anodyne	
O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1	ZINC000004055977	HJ	Annotated	Anodyne	
CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1	ZINC000004076717	HJ	Annotated	Anodyne	
CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1	ZINC000004076727	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1	ZINC000004080384	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1	ZINC000004080386	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCCN(C)c1ccccc1	ZINC000004080387	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCCN(C)c1ccccc1	ZINC000004080389	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCc1ccccc1N	ZINC000004080419	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCc1ccccc1N	ZINC000004080421	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCc1ccccc1N	ZINC000004080422	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCc1ccccc1N	ZINC000004080424	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCc1ccccc1N	ZINC000004080445	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCc1ccccc1N	ZINC000004080446	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCc1ccccc1N	ZINC000004080448	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCc1ccccc1N	ZINC000004080449	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCc1ccccc1N	ZINC000004080510	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCc1ccccc1N	ZINC000004080512	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)NCc1ccccc1N	ZINC000004080515	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)NCc1ccccc1N	ZINC000004080517	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl	ZINC000004080597	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl	ZINC000004080598	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1c(F)cccc1Cl	ZINC000004080599	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1c(F)cccc1Cl	ZINC000004080601	HJ	Annotated	Anodyne	
O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1	ZINC000004080898	HJ	Annotated	Anodyne	
O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1	ZINC000004080900	HJ	Annotated	Anodyne	
O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1	ZINC000004081497	HJ	Annotated	Anodyne	
O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1	ZINC000004081498	HJ	Annotated	Anodyne	
CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C	ZINC000004098870	HJ	Annotated	Anodyne	 
CC(/C=C/C=C\C=C\C=C(/C)C(=O)N[C@@H](C)CO)=C\[C@@H](C)[C@@H](O)/C(C)=C/C(C)C	ZINC000004102365	HJ	Annotated	Anodyne	in-vitro
COc1cc2ccc3c(c2cc1OC)N(C)[C@@H](CC(=O)O)c1c-3ccc(OC)c1OC	ZINC000004102419	HJ	Annotated	Anodyne	in-vitro
O=C(CCC1CCCCC1)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2	ZINC000004105783	HJ	Annotated	Anodyne	 
CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(F)cc1Cl	ZINC000004153225	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(F)cc1Cl	ZINC000004153227	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(F)cc1Cl	ZINC000004153229	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(F)cc1Cl	ZINC000004153230	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(Cl)cc1F	ZINC000004153251	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(Cl)cc1F	ZINC000004153252	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(Cl)cc1F	ZINC000004153253	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(Cl)cc1F	ZINC000004153254	HJ	Annotated	Anodyne	
CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1	ZINC000004153833	HJ	Annotated	Anodyne	
CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1	ZINC000004153834	HJ	Annotated	Anodyne	
CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1	ZINC000004153835	HJ	Annotated	Anodyne	
CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1	ZINC000004153836	HJ	Annotated	Anodyne	
O=C(O)[C@H]1[C@H]2C=C[C@H](C2=C(c2ccccc2)c2ccccc2)[C@H]1C(=O)Nc1ccccn1	ZINC000004172273	HJ	Annotated	Anodyne	 
O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2=C(c2ccccc2)c2ccccc2)[C@H]1C(=O)Nc1ccccn1	ZINC000004172274	HJ	Annotated	Anodyne	 
O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1cc2ccccc2oc1=O	ZINC000004176331	HJ	Annotated	Anodyne	 
CC(=O)c1sc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)nc1C	ZINC000004176892	HJ	Annotated	Anodyne	 
CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@@H](C(N)=O)[C@H]2c1ccc(-c2ccccc2)cc1	ZINC000004177718	HJ	Annotated	Anodyne	 
C[C@@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F	ZINC000004177870	HJ	Annotated	Anodyne	 
C[C@@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F	ZINC000004177877	HJ	Annotated	Anodyne	 
C[C@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F	ZINC000004177881	HJ	Annotated	Anodyne	 
CCOC(=O)c1c[nH]c2cc(Cl)c(OC)cc2/c1=N\c1cnc2ccccc2c1	ZINC000004192459	HJ	Annotated	Anodyne	 
Cc1cccc(N2CCN(C(=O)c3cc4c(=O)oc5ccccc5c4s3)C[C@@H]2C)c1	ZINC000004192646	HJ	Annotated	Anodyne	 
Cc1cccc(N2CCN(C(=O)c3cc4c(=O)oc5ccccc5c4s3)C[C@H]2C)c1	ZINC000004192648	HJ	Annotated	Anodyne	 
CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OCC	ZINC000004206752	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OCC	ZINC000004206753	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1OCC	ZINC000004206756	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1OCC	ZINC000004206757	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OCC)cc1	ZINC000004206798	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OCC)cc1	ZINC000004206800	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OCC)cc1	ZINC000004206802	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OCC)cc1	ZINC000004206804	HJ	Annotated	Anodyne	
O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1	ZINC000004206832	HJ	Annotated	Anodyne	
O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1	ZINC000004206833	HJ	Annotated	Anodyne	
COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(C(C)C)cc1	ZINC000004207061	HJ	Annotated	Anodyne	
COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(C(C)C)cc1	ZINC000004207063	HJ	Annotated	Anodyne	
COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(C(C)C)cc1	ZINC000004207065	HJ	Annotated	Anodyne	
COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(C(C)C)cc1	ZINC000004207067	HJ	Annotated	Anodyne	
O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1	ZINC000004207505	HJ	Annotated	Anodyne	
O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1	ZINC000004207506	HJ	Annotated	Anodyne	
N#CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12	ZINC000004207521	HJ	Annotated	Mild	
N#CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12	ZINC000004207522	HJ	Annotated	Mild	
N#CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12	ZINC000004207523	HJ	Annotated	Mild	
N#CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12	ZINC000004207524	HJ	Annotated	Mild	
COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12	ZINC000004207557	HJ	Annotated	Anodyne	
COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12	ZINC000004207558	HJ	Annotated	Anodyne	
COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12	ZINC000004207559	HJ	Annotated	Anodyne	
COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12	ZINC000004207560	HJ	Annotated	Anodyne	
O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1	ZINC000004210465	HJ	Annotated	Anodyne	
O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1	ZINC000004210471	HJ	Annotated	Anodyne	
COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1	ZINC000004211024	HJ	Annotated	Anodyne	
COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1	ZINC000004211031	HJ	Annotated	Anodyne	
O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1	ZINC000004211537	HJ	Annotated	Anodyne	
O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1	ZINC000004211539	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004212210	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004212214	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004212217	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004212220	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCN(CC)CC	ZINC000004212546	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCN(CC)CC	ZINC000004212547	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCN(CC)CC	ZINC000004212548	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCN(CC)CC	ZINC000004212550	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004213239	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004213240	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004213242	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004213244	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004213271	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004213273	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004213275	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004213277	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004213313	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004213318	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004213319	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004213322	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCN(CC)CC	ZINC000004213556	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCN(CC)CC	ZINC000004213559	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCN(CC)CC	ZINC000004213560	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCN(CC)CC	ZINC000004213562	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCCC	ZINC000004213780	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCCC	ZINC000004213782	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCCC	ZINC000004213784	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCCC	ZINC000004213786	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCC#N	ZINC000004213938	HJ	Annotated	Mild	
CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCC#N	ZINC000004213939	HJ	Annotated	Mild	
CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCC#N	ZINC000004213942	HJ	Annotated	Mild	
CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCC#N	ZINC000004213944	HJ	Annotated	Mild	
CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214065	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214070	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214071	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214074	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214105	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214107	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214108	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214110	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214657	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214658	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214660	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214661	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214673	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214675	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214677	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214679	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214695	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214697	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214699	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004214701	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC	ZINC000004215159	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC	ZINC000004215162	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC	ZINC000004215164	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC	ZINC000004215165	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC	ZINC000004215195	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC	ZINC000004215197	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC	ZINC000004215198	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC	ZINC000004215200	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC	ZINC000004215804	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC	ZINC000004215805	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC	ZINC000004215806	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC	ZINC000004215807	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCC(C)(C)CO	ZINC000004216578	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCC(C)(C)CO	ZINC000004216579	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCC(C)(C)CO	ZINC000004216582	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCC(C)(C)CO	ZINC000004216584	HJ	Annotated	Anodyne	
Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(c1cccc(-c3ccccc3)c1)C2	ZINC000004237933	HJ	Annotated	Anodyne	 
O=C(c1csnn1)N1CCC2(CCCN(c3ccc(-c4ccccc4)cc3)C2)CC1	ZINC000004238003	HJ	Annotated	Anodyne	 
O=c1c(-c2ccccc2)nc2cnc(Oc3ccccc3)nc2n1Cc1cccs1	ZINC000004238486	HJ	Annotated	Anodyne	aggregator
O=c1c(-c2ccc(F)cc2)nc2cnc(Oc3cccc(Cl)c3)nc2n1C1CC1	ZINC000004238595	HJ	Annotated	Anodyne	 
N#Cc1cccc(-c2nc3cnc(Oc4cccc(Cl)c4)nc3n(C3CC3)c2=O)c1	ZINC000004238641	HJ	Annotated	Mild	 
O=c1c(-c2cccs2)nc2cnc(Oc3ccccc3)nc2n1Cc1cccs1	ZINC000004238934	HJ	Annotated	Anodyne	aggregator
O=c1c(-c2ccccc2)nc2cnc(Nc3ccccc3)nc2n1Cc1cccs1	ZINC000004239183	HJ	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCC(C)(C)CO	ZINC000004273740	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCC(C)(C)CO	ZINC000004273750	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCC(C)(C)CO	ZINC000004273761	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCC(C)(C)CO	ZINC000004273776	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCC(C)(C)CO	ZINC000004273867	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCC(C)(C)CO	ZINC000004273871	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCC(C)(C)CO	ZINC000004273878	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCC(C)(C)CO	ZINC000004273881	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCC(C)(C)CO	ZINC000004273964	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCC(C)(C)CO	ZINC000004273967	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCC(C)(C)CO	ZINC000004273972	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCC(C)(C)CO	ZINC000004273977	HJ	Annotated	Anodyne	
O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000004275918	HJ	Annotated	Bother	aggregator
CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1	ZINC000004295356	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1	ZINC000004295359	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1	ZINC000004295366	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1	ZINC000004295371	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NC[C@H](O)c1ccccc1	ZINC000004295428	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NC[C@H](O)c1ccccc1	ZINC000004295435	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NC[C@H](O)c1ccccc1	ZINC000004295438	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NC[C@H](O)c1ccccc1	ZINC000004295442	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1c(F)cccc1Cl	ZINC000004296632	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1c(F)cccc1Cl	ZINC000004296633	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1c(F)cccc1Cl	ZINC000004296634	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1c(F)cccc1Cl	ZINC000004296635	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCC(C)(C)CO	ZINC000004310438	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCC(C)(C)CO	ZINC000004310439	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCC(C)(C)CO	ZINC000004310440	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCC(C)(C)CO	ZINC000004310441	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004310486	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004310487	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004310488	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004310489	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004310574	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004310575	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004310576	HJ	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000004310577	HJ	Annotated	Anodyne	
CN(C)CCCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2c(F)cccc2s1	ZINC000004359771	HJ	Annotated	Anodyne	 
C[C@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCCN1	ZINC000040379620	HJ	Annotated	Anodyne	
C[C@@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCCN1	ZINC000040379621	HJ	Annotated	Anodyne	
COc1cc2cc(CCCN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5	ZINC000040379631	HJ	Annotated	Bother	
CCOC(=O)CN(C(=O)c1ccccc1)c1nc(-c2c(C)cc(C)cc2C)cs1	ZINC000040379829	HJ	Annotated	Anodyne	
CCN(CC)CCCCc1ccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1	ZINC000040380024	HJ	Annotated	Anodyne	
CCN(CC)CCCCc1ccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1	ZINC000040380025	HJ	Annotated	Anodyne	
COc1cc2cc(/C=C/[N+](=O)[O-])c3c4cc5c(cc4ncc3c2cc1OC)OCO5	ZINC000040380127	HJ	Annotated	Bother	
Cc1cc2c(cc1Cl)S[C@H](C(=O)c1ccc(Cl)c(Cl)c1)NS2(=O)=O	ZINC000040380437	HJ	Annotated	Anodyne	
Cc1cc2c(cc1Cl)S[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)NS2(=O)=O	ZINC000040380438	HJ	Annotated	Anodyne	
C[C@@]12CC[C@H]3[C@](C)(C1=CC[C@H]2c1ccoc1)[C@H](O)[C@@H]1OC[C@]2(C)C=CC(=O)[C@@]3(C)[C@@H]12	ZINC000040380503	HJ	Annotated	Anodyne	 
COc1cc(-c2nc(-c3nnc(SC)o3)cc3c2[nH]c2ccccc23)ccc1O	ZINC000040380571	HJ	Annotated	Anodyne	
CCOc1ccc(Cc2nc3cc(N(C)C(=O)NC(C)C)ccc3n2CC2CC2)cc1	ZINC000040391762	HJ	Annotated	Anodyne	
CC[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccc(Br)cc1	ZINC000040392450	HJ	Annotated	Mild	
CC[C@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccc(Br)cc1	ZINC000040392453	HJ	Annotated	Mild	
CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)C=C[C@@]45C[C@@]35CC[C@]12C	ZINC000040392987	HJ	Annotated	Anodyne	 
C[C@H](Nc1nc(-n2cccn2)nc(Cl)c1-c1c(F)cc(F)cc1F)C(F)(F)F	ZINC000040393026	HJ	Annotated	Anodyne	
N#Cc1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(Cl)c1	ZINC000040393089	HJ	Annotated	Mild	
Cc1c([C@H](C)[C@@H]2NC[C@@H](C)C[C@H]2O)ccc2c1C[C@H]1[C@H]2CCC2=CC(=O)CC[C@@]21C	ZINC000040393434	HJ	Annotated	Mild	
CSc1nnc(-c2cc3c([nH]c4ccccc43)c(-c3ccccc3Cl)n2)n1N	ZINC000040393445	HJ	Annotated	Anodyne	
O=C(N/N=C/c1ccc(F)cc1)/C(=C/c1cnn(-c2ccccc2)c1)c1ccccc1	ZINC000040393664	HJ	Annotated	Reactive	
O=S1(=O)Oc2ccccc2N=C2C1=CC=CN2CCc1cccc2ccccc12	ZINC000040393849	HJ	Annotated	Anodyne	
CN1C[C@](O)(c2ccc(-c3ccc(Br)s3)cc2)O[C@H]2CCCC[C@@H]21	ZINC000040394075	HJ	Annotated	Anodyne	in-vitro
CN1C[C@@](O)(c2ccc(-c3ccc(Br)s3)cc2)O[C@H]2CCCC[C@@H]21	ZINC000040394077	HJ	Annotated	Anodyne	in-vitro
CCCCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)[C@H]4O	ZINC000040394150	HJ	Annotated	Anodyne	
C=C(Br)C(=O)Nc1ccc(/C=C/C(=O)c2ccc(OCC)cc2)cc1	ZINC000040394503	HJ	Annotated	Mild	
COc1c(Br)c(CCCO)cc2cc(-c3ccc4c(c3)OCO4)oc12	ZINC000040395116	HJ	Annotated	Anodyne	
c1ccc(N2CCN(c3nc(-n4ccc5ccccc54)c4ccccc4n3)CC2)cc1	ZINC000040395485	HJ	Annotated	Anodyne	
CC1=C(C(=O)N2CCCCCC2)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1	ZINC000040395568	HJ	Annotated	Anodyne	
CC1=C(C(=O)N2CCCCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1	ZINC000040395569	HJ	Annotated	Anodyne	
C=C1C=C2[C@H]([C@H](C)[C@H](OC(C)=O)C(=O)C=C(C)C)C[C@@H](OC(C)=O)[C@@H](C)[C@@H]2CC1	ZINC000040395741	HJ	Annotated	Mild	
C=C1C=C2[C@@H](CC1)[C@H](C)[C@H](OC(C)=O)C[C@H]2[C@H](C)[C@@H](OC(C)=O)C(=O)C=C(C)C	ZINC000040395742	HJ	Annotated	Mild	
Cc1ccccc1Nc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1	ZINC000040401528	HJ	Annotated	Anodyne	
O=C(O)c1ccccc1/C=C1\SC(=S)N(c2ccccc2C(F)(F)F)C1=O	ZINC000040401699	HJ	Annotated	Clean	
O=S1(=O)Oc2ccccc2N(CCc2cccc3ccccc23)c2ncccc21	ZINC000040402282	HJ	Annotated	Anodyne	
Cc1cccc(CSc2nnc([C@@H](C)Sc3nc4nc(C)cc(C)n4n3)o2)c1	ZINC000040404071	HJ	Annotated	Anodyne	
Cc1cccc(CSc2nnc([C@H](C)Sc3nc4nc(C)cc(C)n4n3)o2)c1	ZINC000040404074	HJ	Annotated	Anodyne	
CC1=C(CCN(C)C)c2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc2C1	ZINC000040404576	HJ	Annotated	Anodyne	
CCc1c(Cc2cc(C)cc(C)c2)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O	ZINC000040405132	HJ	Annotated	Bother	
O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(CC1CC1)C[C@@H]1CCCO1	ZINC000040405653	HJ	Annotated	Anodyne	
O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(CC1CC1)C[C@H]1CCCO1	ZINC000040405656	HJ	Annotated	Anodyne	
Cc1cc(Cc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)n[nH]c1=O	ZINC000040406202	HJ	Annotated	Mild	
CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3c(Cl)cccc23)on1	ZINC000040406875	HJ	Annotated	Anodyne	
FC(F)(F)c1ccc(O[C@H]2[C@H](Cn3ccnc3)CCC[C@@H]2Cn2ccnc2)cc1	ZINC000040406902	HJ	Annotated	Anodyne	 
CCCCN(CCCC)c1nc2c(ncn2-c2ccccc2)c(=O)n1-c1ccccc1	ZINC000040407454	HJ	Annotated	Anodyne	
COc1cc([C@H](CC=C(C)C)SC(=O)C(C)C)c(OC)c2c1C(=O)C=CC2=O	ZINC000040408071	HJ	Annotated	Mild	
COc1cc([C@@H](CC=C(C)C)SC(=O)C(C)C)c(OC)c2c1C(=O)C=CC2=O	ZINC000040408075	HJ	Annotated	Mild	
CCCCN(C)C(=O)Cc1c(-c2ccc(O)cc2)nc2c(Cl)cc(Cl)cn12	ZINC000040409476	HJ	Annotated	Anodyne	
COc1cc(/C(=N\C(=O)OC(C)(C)C)c2ccc3c(ccn3C)c2)cc(OC)c1OC	ZINC000040410455	HJ	Annotated	Mild	
CCCC[C@@H]1CN=C2N(CC[C@@H]3C[C@H]4CC[C@@H]3C4)[C@H](Cc3ccc(OC)cc3)CN21	ZINC000040410985	HJ	Annotated	Anodyne	
CCCC[C@@H]1CN=C2N(CC[C@H]3C[C@H]4CC[C@@H]3C4)[C@H](Cc3ccc(OC)cc3)CN21	ZINC000040410988	HJ	Annotated	Anodyne	
COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc(Oc4ccccc4)ccc32)c1	ZINC000040411455	HJ	Annotated	Anodyne	
COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc(Oc4ccccc4)ccc32)c1	ZINC000040411458	HJ	Annotated	Anodyne	
Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCCC1	ZINC000040412128	HJ	Annotated	Bother	
CC(=O)c1ccc(N(Cc2ccccc2)c2cc(C(=O)N3CCCC3)n(C)c2)cc1	ZINC000040412441	HJ	Annotated	Anodyne	
CN(C(=O)Cc1c(-c2nccs2)nc2c(Cl)cc(Cl)cn12)c1ccccc1	ZINC000040413165	HJ	Annotated	Anodyne	
Cc1cc(C)cc(N(Cc2ccc(CO)cc2)c2cc(C(=O)N3CCCC3)n(C)c2)c1	ZINC000040413281	HJ	Annotated	Anodyne	
Cn1c2nc(-c3ccccc3)nc(=O)c-2c(NCCc2ccccc2)c2ccccc21	ZINC000040414273	HJ	Annotated	Bother	
Nc1n[nH]c2c1S(=O)(=O)c1ccc(Cl)cc1N2c1ccc(Cl)c(Cl)c1	ZINC000040420608	HJ	Annotated	Anodyne	
COc1c2cc(c(O)c1OC)CCCC[C@@H]1OC(C)(C)O[C@H]1Cc1ccc(O)c-2c1	ZINC000040421136	HJ	Annotated	Anodyne	
O=C1CS[C@H](c2c(F)cccc2C(F)(F)F)N1c1cc(Br)ccn1	ZINC000040421310	HJ	Annotated	Anodyne	
O=C1CS[C@@H](c2c(F)cccc2C(F)(F)F)N1c1cc(Br)ccn1	ZINC000040421312	HJ	Annotated	Anodyne	
Cc1nnc(-c2ccc3nc(C4CCC5(CC4)OC(=O)c4ccccc45)[nH]c3c2)o1	ZINC000040421935	HJ	Annotated	Anodyne	
C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCCN1	ZINC000040421956	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCCN1	ZINC000040421958	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(C3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2cc1Cl	ZINC000040422924	HJ	Annotated	Anodyne	
C=CCN1C[C@@H]2/C(=C\c3ccccc3)CC[C@H]1CN2Cc1ccc(OC)cc1OC	ZINC000040422998	HJ	Annotated	Mild	
Cc1ccc(-n2cc(Cn3c(-c4cccc(F)c4)nc4ccccc43)nn2)c(F)c1	ZINC000040423113	HJ	Annotated	Anodyne	
CCC[C@@H]1N=C(c2cc(C#N)ccn2)NC1(c1ccc(F)cc1)c1ccc(F)cc1	ZINC000040423150	HJ	Annotated	Mild	
Cc1nc(-c2ccc3nc(C4CCC5(CC4)OC(=O)c4ccccc45)[nH]c3c2)no1	ZINC000040423535	HJ	Annotated	Anodyne	
Cc1c(CNC2CCCC2)nn(-c2ncccc2Cl)c1-c1ccc(Cl)nc1	ZINC000040423697	HJ	Annotated	Anodyne	
C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCN1	ZINC000040423724	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCN1	ZINC000040423725	HJ	Annotated	Anodyne	
COC(=O)c1ccc2[nH]c(C3CCC4(CC3)OC(=O)c3ccccc34)nc2c1Cl	ZINC000040423994	HJ	Annotated	Anodyne	
Cc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2C(F)(F)F)cn1	ZINC000040429420	HJ	Annotated	Anodyne	
CCCN(CCC)c1c(CC(C)(C)O)nc(-c2c(C)cc(C)cc2OC)nc1OC	ZINC000040430406	HJ	Annotated	Anodyne	
CC(=O)C[C@@H]1OCC2=C1[C@H](/C=C/OC(=O)C=C(C)C)[C@@](C)(CCC=C(C)C)C[C@H]2O	ZINC000040430482	HJ	Annotated	Anodyne	 
CC(=O)C[C@@H]1OCC2=C1[C@H](/C=C/OC(=O)C=C(C)C)[C@@]1(C)CC[C@H](C(C)(C)O)[C@@H]2C1	ZINC000040430848	HJ	Annotated	Anodyne	
COc1cc(/C=C2\CCC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OC	ZINC000040431297	HJ	Annotated	Mild	
COc1cc(/C=C2\CCC/C(=C\c3ccccc3[N+](=O)[O-])C2=O)cc(OC)c1OC	ZINC000040431397	HJ	Annotated	Mild	
COc1ccc([C@H]2NCCN[C@H]2c2c(Cl)cc(OC)cc2Cl)c(Cl)c1	ZINC000040434482	HJ	Annotated	Anodyne	
COC(=O)[C@@H]1CCC[C@H](NCc2cc(/C=C\c3ccc(Cl)c(Cl)c3)[nH]n2)C1	ZINC000040461406	HJ	Annotated	Anodyne	
COC(=O)[C@H]1CCC[C@H](NCc2cc(/C=C\c3ccc(Cl)c(Cl)c3)[nH]n2)C1	ZINC000040461407	HJ	Annotated	Anodyne	
COC(=O)[C@@H]1CCC[C@@H](NCc2cc(/C=C\c3ccc(Cl)c(Cl)c3)[nH]n2)C1	ZINC000040461408	HJ	Annotated	Anodyne	
COC(=O)[C@H]1CCC[C@@H](NCc2cc(/C=C\c3ccc(Cl)c(Cl)c3)[nH]n2)C1	ZINC000040461409	HJ	Annotated	Anodyne	
CCOP(=O)(OCC)C(CCC(=O)c1ccccn1)P(=O)(OCC)OCC	ZINC000040465033	HJ	Annotated	Anodyne	
Cc1ccccc1C(CCN(C(C)C)C(C)C)(CCN(C(C)C)C(C)C)C(N)=O	ZINC000040465170	HJ	Annotated	Anodyne	
CC(C)c1ccc([C@@](CCN2CCCCC2)(CCN(C(C)C)C(C)C)C(N)=O)cc1	ZINC000040465219	HJ	Annotated	Anodyne	
CC(C)c1ccc([C@](CCN2CCCCC2)(CCN(C(C)C)C(C)C)C(N)=O)cc1	ZINC000040465220	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)c3cc(C(=O)O)sc3C(=O)c3c2c2ccccc2n3C)cc1	ZINC000040466044	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)c3cc(C(=O)O)sc3C(=O)c3c2c2ccccc2n3C)cc1	ZINC000040466045	HJ	Annotated	Anodyne	
COc1cccc([C@@]2(C)c3cc(C(=O)O)sc3C(=O)c3c2c2ccccc2n3C)c1	ZINC000040466528	HJ	Annotated	Anodyne	
COc1cccc([C@]2(C)c3cc(C(=O)O)sc3C(=O)c3c2c2ccccc2n3C)c1	ZINC000040466530	HJ	Annotated	Anodyne	
CO[C@]12CCCCCCCCC[C@@H]1c1ccccc1/C2=N/OC[C@H](O)CNC(C)C	ZINC000040475239	HJ	Annotated	Mild	
CO[C@]12CCCCCCCCC[C@H]1c1ccccc1/C2=N/OC[C@H](O)CNC(C)C	ZINC000040475240	HJ	Annotated	Mild	
CC(=O)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000040486571	HJ	Annotated	Bother	 
CC(=O)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000040486573	HJ	Annotated	Bother	 
CC(=O)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000040486575	HJ	Annotated	Bother	 
CC(=O)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000040486577	HJ	Annotated	Bother	 
CC1=NN(C(=O)Nc2cc(C)cc(C)c2)C(C)=NN1C(=O)Nc1cc(C)cc(C)c1	ZINC000040504847	HJ	Annotated	Anodyne	 
CC1(C)O[C@@H]2[C@H](CN=[N+]=[N-])O[C@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)[C@@H]2O1	ZINC000040519954	HJ	Annotated	Clean	 
CC(C)c1ncc(/C=C\C#N)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	ZINC000040556559	HJ	Annotated	Reactive	
Nc1ccc2cc3ccccc3nc2c1COC(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000040556645	HJ	Annotated	Bother	
C[C@@H]1CN(c2nc3nc4ccccc4nc3s2)N=C1c1cccc(Br)c1	ZINC000040556672	HJ	Annotated	Anodyne	
C[C@H]1CN(c2nc3nc4ccccc4nc3s2)N=C1c1cccc(Br)c1	ZINC000040556673	HJ	Annotated	Anodyne	
O=C1Nc2ccccc2C(=O)[C@@H]2C[C@@H](c3cccc(Cl)c3)[C@](O)(c3ccccc3)[C@@H]12	ZINC000040564083	HJ	Annotated	Anodyne	
C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@H](CCCC)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O	ZINC000040564453	HJ	Annotated	Mild	
C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@@H](CCCC)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O	ZINC000040564458	HJ	Annotated	Mild	
CC(C)CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3	ZINC000040564921	HJ	Annotated	Anodyne	
CC(C)CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2CC[C@@H]1C3	ZINC000040564925	HJ	Annotated	Anodyne	
CC(C)CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2CC[C@@H]1C3	ZINC000040564927	HJ	Annotated	Anodyne	
CCN(CC)[C@H](C)[C@@H](c1ccc2cc(OCC(C)(C)C(=O)O)ccc2c1)n1ccnc1	ZINC000040564992	HJ	Annotated	Anodyne	
Brc1cccc(C2=NN(c3nc4nc5ccccc5nc4s3)CC2)c1	ZINC000040565217	HJ	Annotated	Anodyne	
CCCCN1C(=O)O[C@H](COC(=O)Cc2ccccc2)[C@H]1CCCc1ccccc1	ZINC000040565421	HJ	Annotated	Anodyne	
CCn1c(C(=O)c2ccccc2Cl)nc2cnc(Oc3c(F)cccc3F)nc21	ZINC000040565708	HJ	Annotated	Anodyne	
COc1ccc(NC(=O)N[C@H]2CC(C)(C)Oc3ccc(Br)cc32)cc1	ZINC000040567899	HJ	Annotated	Anodyne	
COc1ccc(NC(=O)N[C@@H]2CC(C)(C)Oc3ccc(Br)cc32)cc1	ZINC000040567902	HJ	Annotated	Anodyne	
O=C(N/C=C/c1ccccc1)[C@@H](c1csc2ccc(Cl)cc12)P(=O)(O)O	ZINC000040584871	HJ	Annotated	Anodyne	
O=C(N/C=C/c1ccccc1)[C@H](c1csc2ccc(Cl)cc12)P(=O)(O)O	ZINC000040584873	HJ	Annotated	Anodyne	
CN1CC2=C(OC(N)=C(C#N)[C@H]2/C=C/c2ccccc2)/C(=C/C=C/c2ccccc2)C1	ZINC000040614076	HJ	Annotated	Reactive	
CN1CC2=C(OC(N)=C(C#N)[C@@H]2/C=C/c2ccccc2)/C(=C/C=C/c2ccccc2)C1	ZINC000040614078	HJ	Annotated	Reactive	
CC(=O)O[C@@H]1C/C(=C/C[C@@]2(C)[C@H](C)CC[C@@]3(C)[C@@H]2CCC[C@@]32CO2)[C@@H](OC(C)=O)O1	ZINC000040632128	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1C/C(=C/C[C@@]2(C)[C@@H](C)CC[C@@]3(C)[C@@H]2CCC[C@@]32CO2)[C@@H](OC(C)=O)O1	ZINC000040632130	HJ	Annotated	Anodyne	
Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(O)c(/N=C(\CC(C)C)C(=O)O)c12	ZINC000040640352	HJ	Annotated	Mild	
CCN1CCN(C2=Nc3ccc(Br)cc3CC=C2c2ccccc2)CC1	ZINC000040640884	HJ	Annotated	Anodyne	
CCCN1N=C2/C(=C/c3ccccc3C)CS(=O)(=O)C[C@H]2[C@H]1c1ccccc1C	ZINC000040670484	HJ	Annotated	Anodyne	 
OCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1	ZINC000040698532	HJ	Annotated	Clean	
C[C@]12CCC(=O)C(Cl)=C1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1	ZINC000040719825	HJ	Annotated	Anodyne	 
CCCN1N=C2/C(=C/c3ccc(C)cc3)CS(=O)(=O)C[C@H]2[C@H]1c1ccc(C)cc1	ZINC000040723588	HJ	Annotated	Anodyne	 
CC1(C)O[C@@H]2[C@H](CCl)O[C@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)[C@@H]2O1	ZINC000040737425	HJ	Annotated	Anodyne	 
COc1ccc([C@H]2CC3(N4CCCCC4)C[C@@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1	ZINC000040753272	HJ	Annotated	Anodyne	
COc1ccc([C@H]2CC3(N4CCCCC4)C[C@H](c4ccc(OC)cc4)C2[C@H](O)C3)cc1	ZINC000040753275	HJ	Annotated	Anodyne	
C=C[C@@]1(C)CC[C@@H]2C(C)(C)c3cccc4[nH]c5c(c34)[C@@]2(O)[C@]1(C#N)[C@H]1O[C@H]1C5(C)C	ZINC000040753696	HJ	Annotated	Mild	
COc1ccc([C@H]2CC3(N4CCCC4)CC(=O)C2[C@H](c2ccc(OC)cc2)C3)cc1	ZINC000040762175	HJ	Annotated	Anodyne	
COc1ccc([C@H]2CC3(N4CCCC4)CC(=O)C2[C@@H](c2ccc(OC)cc2)C3)cc1	ZINC000040762178	HJ	Annotated	Anodyne	
Cc1cc(C(=O)O)c(Sc2nccn2-c2ccc(Cl)cc2Cl)nc1C#N	ZINC000040762490	HJ	Annotated	Mild	
O=C(Nc1ccc2cc3ccccc3nc2c1CO)OCc1ccc([N+](=O)[O-])cc1	ZINC000040762732	HJ	Annotated	Bother	
O=C1Nc2ccccc2C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C[C@](O)(c3ccccc3)[C@@H]12	ZINC000040763062	HJ	Annotated	Anodyne	
CCn1c([C@H](O)c2ccccc2Cl)nc2cnc(Oc3c(F)cccc3F)nc21	ZINC000040763344	HJ	Annotated	Anodyne	
CCn1c([C@@H](O)c2ccccc2Cl)nc2cnc(Oc3c(F)cccc3F)nc21	ZINC000040763345	HJ	Annotated	Anodyne	
Cc1ccc([C@@H]2C[C@H]3C(=O)c4ccccc4NC(=O)[C@@H]3[C@@]2(O)c2ccc(C)cc2)cc1	ZINC000040764016	HJ	Annotated	Anodyne	
O=C1Nc2ccccc2C(=O)[C@@H]2[C@@H](c3ccccc3)C[C@](O)(c3cccc(Cl)c3)[C@@H]12	ZINC000040764095	HJ	Annotated	Anodyne	
CC(=O)C1=NN(c2ccc(C)cc2)/C(=C(\C#N)C(=O)c2c[nH]c3ccccc23)S1	ZINC000040776380	HJ	Annotated	Reactive	
CC(=O)C1=NN(c2ccc(Cl)cc2)/C(=C(\C#N)C(=O)c2c[nH]c3ccccc23)S1	ZINC000040781766	HJ	Annotated	Reactive	
CC[C@H]1OC(O)=C2C1=NC1=C(C(=O)CCC1)[C@H]2c1ccc(F)c(Br)c1	ZINC000040791236	HJ	Annotated	Mild	
CC[C@@H]1OC(O)=C2C1=NC1=C(C(=O)CCC1)[C@H]2c1ccc(F)c(Br)c1	ZINC000040791409	HJ	Annotated	Mild	
CC(C)N(CC[C@](CCCN1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C	ZINC000040802278	HJ	Annotated	Anodyne	
CC(C)N(CC[C@@](CCCN1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C	ZINC000040802282	HJ	Annotated	Anodyne	
COc1ccc([C@H]2CC3(N4CCCC4)C[C@@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1	ZINC000040810670	HJ	Annotated	Anodyne	
COc1ccc([C@H]2CC3(N4CCCC4)C[C@H](c4ccc(OC)cc4)C2[C@H](O)C3)cc1	ZINC000040810671	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2CC3(N4CCCC4)C[C@@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1	ZINC000040810672	HJ	Annotated	Anodyne	 
COc1cc2c(cc1OC)Oc1ncnc(Oc3ccc(F)c(Cl)c3)c1N(C)C2	ZINC000040810759	HJ	Annotated	Anodyne	
O=C1Nc2ccccc2C(=O)[C@@H]2C[C@@H](c3ccc(Cl)cc3)[C@](O)(c3ccccc3)[C@@H]12	ZINC000040810844	HJ	Annotated	Anodyne	
C/C(=C\Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O)C/C=C/C(C)(C)O	ZINC000040834520	HJ	Annotated	Mild	
COc1cc(OC)c2c(C)nc(CO)cc2c1-c1c(C)cc(O)c2c(OC)cccc12	ZINC000040845289	HJ	Annotated	Anodyne	
COc1cc2cc(/C=C/CN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5	ZINC000040845373	HJ	Annotated	Bother	
N#Cc1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1	ZINC000040845819	HJ	Annotated	Mild	
CC1(C)C[C@@]2(CN(Cc3ccc(C(F)(F)F)cc3)C(=O)CO2)c2ccccc2O1	ZINC000040846560	HJ	Annotated	Anodyne	
CC1(C)C[C@]2(CN(Cc3ccc(C(F)(F)F)cc3)C(=O)CO2)c2ccccc2O1	ZINC000040846562	HJ	Annotated	Anodyne	
O=C1/C(=N\NC(=S)Nc2ccccc2)c2ccccc2N1CCC1CCCCC1	ZINC000040846602	HJ	Annotated	Mild	
C[C@@]1(C(c2ccccc2)c2ccccc2)OS(=O)(=O)C=C1OCc1ccccc1	ZINC000040847858	HJ	Annotated	Mild	
C[C@]1(C(c2ccccc2)c2ccccc2)OS(=O)(=O)C=C1OCc1ccccc1	ZINC000040847860	HJ	Annotated	Mild	
CN(Cc1ccccc1)C[C@H](O)COc1ccc2c(c1)CCCN2Cc1ccccc1	ZINC000040847915	HJ	Annotated	Clean	
CN(Cc1ccccc1)C[C@@H](O)COc1ccc2c(c1)CCCN2Cc1ccccc1	ZINC000040847917	HJ	Annotated	Clean	
CC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2C1	ZINC000040847929	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2c(C#N)c(N)nc(Sc3ccc(Cl)cc3)c2C#N)cc1	ZINC000040848234	HJ	Annotated	Mild	
CC1(C)C[C@@]2(CN(Cc3ccccc3)CCO2)c2cc(Br)ccc2O1	ZINC000040848422	HJ	Annotated	Anodyne	
CC1(C)C[C@]2(CN(Cc3ccccc3)CCO2)c2cc(Br)ccc2O1	ZINC000040848424	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2c1S(=O)(=O)N[C@H](C(=O)c1ccc(Cl)c(Cl)c1)S2	ZINC000040848912	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2c1S(=O)(=O)N[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)S2	ZINC000040848914	HJ	Annotated	Anodyne	
CCOc1nc(S(=O)(=O)c2ccc(C)cc2)cc(O)c1Oc1cc(C)cc(C)c1	ZINC000040861724	HJ	Annotated	Anodyne	
COc1ccc(N2C(/C=C/c3cccc(OC)c3O)=Nc3ccccc3[C@H]2O)cc1	ZINC000040862326	HJ	Annotated	Anodyne	
COc1ccc(N2C(/C=C/c3cccc(OC)c3O)=Nc3ccccc3[C@@H]2O)cc1	ZINC000040862328	HJ	Annotated	Anodyne	
CC1(C)C[C@@]2(CN(Cc3ccc(Br)cc3)CCO2)c2ccccc2O1	ZINC000040862412	HJ	Annotated	Anodyne	
CC1(C)C[C@]2(CN(Cc3ccc(Br)cc3)CCO2)c2ccccc2O1	ZINC000040862414	HJ	Annotated	Anodyne	
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Cc1nccs1	ZINC000040862424	HJ	Annotated	Anodyne	
CC(C)CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)[C@H]4O	ZINC000040862448	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1[C@@H]2[C@H](Cc3occc3[C@@H]2C)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H]1OC(C)=O	ZINC000040862640	HJ	Annotated	Anodyne	
S=C(N1CCC(c2cccc(Br)c2)=N1)N1CCCc2ccccc21	ZINC000040863276	HJ	Annotated	Anodyne	
COc1cc([C@H]2c3c(cc(OC)c(OC)c3OC)C[C@@H](C)[C@@H]2C)cc(OC)c1OC	ZINC000040863684	HJ	Annotated	Anodyne	
COc1ccc(/C(COc2c(-c3ccccc3)oc3ccccc3c2=O)=N\O)cc1	ZINC000040864095	HJ	Annotated	Mild	
COc1ccc(-n2ccc3c(-n4ccc(-c5nccs5)n4)cc(C)nc32)c(C)c1	ZINC000040864231	HJ	Annotated	Anodyne	
CC(C)COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)[C@H]4O	ZINC000040864348	HJ	Annotated	Anodyne	
Cn1ccnc1-c1nc(Cl)c(-c2c(F)cc(F)cc2F)c(NCC(F)(F)F)n1	ZINC000040864503	HJ	Annotated	Anodyne	
O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Cn1c2ccccc2c2ccccc21	ZINC000040864580	HJ	Annotated	Anodyne	
Cc1cc(C#N)cc(Oc2ccc(Cc3n[nH]c4nnccc34)cc2Br)c1	ZINC000040864726	HJ	Annotated	Mild	in-vivo
CCCC[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)NC(C)(C)C	ZINC000040865312	HJ	Annotated	Anodyne	
CCCC[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)NC(C)(C)C	ZINC000040865314	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)[C@H]4O	ZINC000040865605	HJ	Annotated	Anodyne	
CC[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccc(C(F)(F)F)cc1	ZINC000040865905	HJ	Annotated	Mild	
CC[C@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccc(C(F)(F)F)cc1	ZINC000040865907	HJ	Annotated	Mild	
Cc1nc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)nc(C)c1CCC#N	ZINC000040866180	HJ	Annotated	Mild	
Cc1nc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)nc(C)c1CCC#N	ZINC000040866182	HJ	Annotated	Mild	
CNC(=O)c1c(C)c2c(c(C(=O)NC)c1-c1ccccc1C)Nc1ccccc1S2	ZINC000040866376	HJ	Annotated	Anodyne	
Fc1ccc(/N=C2\CSc3nnc(-c4cc(F)c(Cl)cc4Cl)n3N2)cc1	ZINC000040872327	HJ	Annotated	Mild	
C=C([C@@H]1[C@@H]2OC(=O)C[C@H]1[C@H](OC(C)=O)O2)[C@H]1CC[C@H]2C(C)(C)CCCC(=C)[C@@]21C	ZINC000040873364	HJ	Annotated	Mild	
CC(=O)O[C@@H]1C=C(C)[C@@H]2[C@@H]3C/C(C)=C/CC[C@@](C)(OC(C)=O)[C@@H](O3)[C@@H]2[C@H]1C(C)C	ZINC000040874504	HJ	Annotated	Anodyne	
CC1=C2C3=CC=C4C(=CC(=O)C(O)=C4C)[C@]3(C)CC[C@@]2(C)[C@@H]2C[C@@H](C)[C@@H](O)C(=O)[C@@H]2C1	ZINC000040874558	HJ	Annotated	Mild	
CC1=C2C3=CC=C4C(=CC(=O)C(O)=C4C)[C@]3(C)CC[C@@]2(C)[C@@H]2C[C@@H](C)[C@@H](O)C(=O)[C@H]2C1	ZINC000040874560	HJ	Annotated	Mild	
CCOCCOC(=O)/C(C#N)=C(\NNc1c(Cl)cc(Cl)cc1Cl)C(C)C	ZINC000040874717	HJ	Annotated	Reactive	
O=C(O)c1cncc(OC(=O)N2CCC(CCCc3ccccc3Cl)CC2)c1	ZINC000040874811	HJ	Annotated	Anodyne	
Cc1c(Cc2c(F)cccc2Cl)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O	ZINC000040875617	HJ	Annotated	Anodyne	
Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2-c2ncccc2Cl)cc1F	ZINC000040876540	HJ	Annotated	Anodyne	
CS(=O)(=O)Nc1cc(Nc2cc(-c3ccccc3)ncn2)ccc1-c1ccccc1	ZINC000040879238	HJ	Annotated	Anodyne	
COc1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccccc2)cc1	ZINC000040879841	HJ	Annotated	Reactive	
CCOCCOC(=O)/C(C#N)=C(\NNc1cc(Cl)c(Cl)cc1Cl)C(C)C	ZINC000040880084	HJ	Annotated	Reactive	
COc1cc2c3c(c(C)c4ccccc4c3c1OC)N(CCN1CCCCC1)C2=O	ZINC000040880275	HJ	Annotated	Bother	
Cc1ccc(-c2c(C)c(CN[C@@H]3CCC(F)(F)C3)nn2-c2ncccc2Cl)cn1	ZINC000040881126	HJ	Annotated	Anodyne	
Cc1ccc(-c2c(C)c(CN[C@H]3CCC(F)(F)C3)nn2-c2ncccc2Cl)cn1	ZINC000040881129	HJ	Annotated	Anodyne	
O=C(N/N=C/c1ccccc1)/C(=C/c1cnn(-c2ccccc2)c1)c1ccc(F)cc1	ZINC000040891604	HJ	Annotated	Reactive	
CCOc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)[C@@H]2C1C(=O)CC(C)(C)CC1=O	ZINC000040891773	HJ	Annotated	Mild	
CCOc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)[C@H]2C1C(=O)CC(C)(C)CC1=O	ZINC000040891774	HJ	Annotated	Mild	
COc1ccccc1NC(=S)N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1O	ZINC000040892322	HJ	Annotated	Clean	
Cc1ccc(-c2nnc(-n3c(/C=C/c4ccncc4)nc4ccccc4c3=O)s2)cc1	ZINC000040892377	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](COC(C)=O)C4=O	ZINC000040893016	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](COC(C)=O)[C@H]4O	ZINC000040895107	HJ	Annotated	Anodyne	
C[C@H]1CC(Cc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)=NNC1=O	ZINC000040895651	HJ	Annotated	Mild	
O=S1(=O)C=C(OCc2ccccc2)C(Cc2ccccc2)(Cc2ccccc2)O1	ZINC000040895976	HJ	Annotated	Mild	
C=CC(C)(C)C1=C(OC)C=C(O)[C@@H]2C(=O)c3c(cc(O)c(O)c3CC=C(C)C)O[C@@H]12	ZINC000040896216	HJ	Annotated	Mild	in-vivo
C=CC(C)(C)C1=C(OC)C=C(O)[C@@H]2C(=O)c3c(cc(O)c(O)c3CC=C(C)C)O[C@H]12	ZINC000040896219	HJ	Annotated	Mild	in-vivo
C=CC(C)(C)C1=C(OC)C=C(O)[C@H]2C(=O)c3c(cc(O)c(O)c3CC=C(C)C)O[C@@H]12	ZINC000040896222	HJ	Annotated	Mild	in-vivo
C=CC(C)(C)C1=C(OC)C=C(O)[C@H]2C(=O)c3c(cc(O)c(O)c3CC=C(C)C)O[C@H]12	ZINC000040896224	HJ	Annotated	Mild	in-vivo
O=C(O)c1ccccc1/C=C1\SC(=S)N(c2ccc(C(F)(F)F)cc2)C1=O	ZINC000040897088	HJ	Annotated	Clean	
CO/N=C(/COc1c(-c2ccccc2)oc2ccccc2c1=O)c1ccc(OC)cc1	ZINC000040898868	HJ	Annotated	Mild	
COc1cc(OC)c2c(C)[n+](-c3cccc4c3C(=O)c3ccccc3C4=O)c(C)cc2c1	ZINC000040913358	HJ	Annotated	Clean	
CC(C)(C)c1ccc2c(c1)C(=O)N(CCOC(=S)Nc1ccc(Cl)cc1)C2=O	ZINC000040913970	HJ	Annotated	Anodyne	
COc1ccc(OC)c2c1C(=O)C=C([C@H](CC=C(C)C)SC(=O)C(C)C)C2=O	ZINC000040914368	HJ	Annotated	Mild	
COc1ccc(OC)c2c1C(=O)C=C([C@@H](CC=C(C)C)SC(=O)C(C)C)C2=O	ZINC000040914369	HJ	Annotated	Mild	
CC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2C1	ZINC000040915570	HJ	Annotated	Anodyne	
Brc1cccc2c1CC[C@H](Cn1ccnc1)/C2=N/OCc1ccccc1	ZINC000040915630	HJ	Annotated	Mild	
Brc1cccc2c1CC[C@@H](Cn1ccnc1)/C2=N/OCc1ccccc1	ZINC000040915632	HJ	Annotated	Mild	
COc1cc(/C=C(/C)[N+](=O)[O-])c(-c2ccccc2/C=C(/C)[N+](=O)[O-])c(OC)c1OC	ZINC000040915932	HJ	Annotated	Anodyne	
Cc1cc(Cc2ccc(Cl)c(Oc3cccc(Br)c3)c2)n[nH]c1=O	ZINC000040917040	HJ	Annotated	Anodyne	
Cc1cc(C)n2nc(S[C@H](C)c3nnc(SCc4ccccc4C)o3)nc2n1	ZINC000040917352	HJ	Annotated	Anodyne	
Cc1cc(C)n2nc(S[C@@H](C)c3nnc(SCc4ccccc4C)o3)nc2n1	ZINC000040917354	HJ	Annotated	Anodyne	
Cc1[nH]c2ccc(Cl)cc2c1CCN1CCC[C@H](c2ccnc(NC3CC3)n2)C1	ZINC000040917372	HJ	Annotated	Anodyne	
Cc1[nH]c2ccc(Cl)cc2c1CCN1CCC[C@@H](c2ccnc(NC3CC3)n2)C1	ZINC000040917374	HJ	Annotated	Anodyne	
Cc1ccc(CSc2nnc([C@@H](C)Sc3nc4nc(C)cc(C)n4n3)o2)cc1	ZINC000040917579	HJ	Annotated	Anodyne	
Cc1ccc(CSc2nnc([C@H](C)Sc3nc4nc(C)cc(C)n4n3)o2)cc1	ZINC000040917581	HJ	Annotated	Anodyne	
CCCCc1cccc2c(C3=C(Br)C(=O)NC3=O)c(-c3ccccc3)[nH]c12	ZINC000040917730	HJ	Annotated	Anodyne	
Cc1ccc(/C=N/c2nnc(CNc3nnc4c5ccccc5nc-4s3)s2)cc1	ZINC000040917735	HJ	Annotated	Mild	
CCn1cc(C(N)=O)c(=O)c2cc(F)c(Oc3ccccc3)c(Oc3ccccc3)c21	ZINC000040917818	HJ	Annotated	Anodyne	
O=C1CS[C@H](c2c(Br)cccc2Br)N1Cc1ccco1	ZINC000040917896	HJ	Annotated	Anodyne	
O=C1CS[C@@H](c2c(Br)cccc2Br)N1Cc1ccco1	ZINC000040917897	HJ	Annotated	Anodyne	
CC1(C)CC(=O)c2sc(N3CCOC[C@@H]3Cc3csc4ccccc34)nc2C1	ZINC000040917934	HJ	Annotated	Anodyne	
COc1ccc([C@@](C)(OC)C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1	ZINC000040918283	HJ	Annotated	Anodyne	
COc1ccc([C@](C)(OC)C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1	ZINC000040918284	HJ	Annotated	Anodyne	
S=C(NC1C2CC3CC(C2)CC1C3)N1CCC(c2cccc(Br)c2)=N1	ZINC000040918790	HJ	Annotated	Anodyne	
CC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3csc4ccccc34)ccc2C1	ZINC000040918942	HJ	Annotated	Anodyne	
Cc1ccc(CN(c2ccc([N+](=O)[O-])cc2)c2cc(C(=O)N3CCCC3)n(C)c2)cc1	ZINC000040918993	HJ	Annotated	Bother	
C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN3CCC(Cc4ccccc4)CC3)[C@@H]2CC1	ZINC000040919170	HJ	Annotated	Anodyne	
C[C@H]1CC[C@@]23C[C@]2(C)CCC[C@@H]3[C@@]1(C)CCC1=CC[C@H](C2=CC(=O)O[C@H]2O)OC1	ZINC000040934138	HJ	Annotated	Anodyne	in-vivo
CCn1c2ccncc2c2cc(S(=O)(=O)Nc3ccc4c(ccn4C)c3)ccc21	ZINC000040934266	HJ	Annotated	Anodyne	
Cc1nc2c3c(c(C(=O)N4CCCCC4)cn2c1C)CC[C@]1(CCc2ccccc21)O3	ZINC000040934439	HJ	Annotated	Anodyne	
Cc1nc2c3c(c(C(=O)N4CCCCC4)cn2c1C)CC[C@@]1(CCc2ccccc21)O3	ZINC000040934441	HJ	Annotated	Anodyne	
Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1	ZINC000040935185	HJ	Annotated	Bother	
Cn1cc(N(Cc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1	ZINC000040935187	HJ	Annotated	Bother	
Cc1cc(C)cc(N(Cc2ccc(O)cc2)c2cc(C(=O)N3CCCC3)n(C)c2)c1	ZINC000040935219	HJ	Annotated	Anodyne	
O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(CC1CC1)C[C@@H]1CCCO1	ZINC000040936122	HJ	Annotated	Anodyne	
O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(CC1CC1)C[C@H]1CCCO1	ZINC000040936124	HJ	Annotated	Anodyne	
Cn1cc(N(CC2CCCCC2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1	ZINC000040936768	HJ	Annotated	Bother	
Cc1cc(CCNc2ncc(-c3nnc(C4CC4)o3)c(Nc3ccccc3)n2)ccn1	ZINC000040936852	HJ	Annotated	Anodyne	
CCOC(=O)[C@H]1C(=O)C=C(Nc2ccc(Br)cc2)C[C@H]1c1ccccc1	ZINC000040937199	HJ	Annotated	Mild	
CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Br)cc2)C[C@H]1c1ccccc1	ZINC000040937200	HJ	Annotated	Mild	
CCOC(=O)[C@H]1C(=O)C=C(Nc2ccc(Br)cc2)C[C@@H]1c1ccccc1	ZINC000040937201	HJ	Annotated	Mild	
CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Br)cc2)C[C@@H]1c1ccccc1	ZINC000040937202	HJ	Annotated	Mild	
CCCC(=O)S[C@@H](CC=C(C)C)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O	ZINC000040938513	HJ	Annotated	Mild	
CCCC(=O)S[C@H](CC=C(C)C)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O	ZINC000040938515	HJ	Annotated	Mild	
Cc1ccc(C2(c3ccc(C)cc3)C(=O)N(C(C)C)[C@]23C(=O)N(C)c2ccccc23)cc1	ZINC000040939478	HJ	Annotated	Anodyne	
Cc1ccc(C2(c3ccc(C)cc3)C(=O)N(C(C)C)[C@@]23C(=O)N(C)c2ccccc23)cc1	ZINC000040939480	HJ	Annotated	Anodyne	
COc1cc(Nc2cncc(Oc3ccc4c(c3)CCCC4=O)n2)cc(OC)c1OC	ZINC000040939609	HJ	Annotated	Anodyne	
CC1=CCC[C@H](C)[C@@]1(C)CC/C(C)=C/CC/C(C)=C/CS(=O)(=O)CCNC(=N)N	ZINC000040939653	HJ	Annotated	Anodyne	
Nc1n[nH]c2c1S(=O)(=O)c1cc(Cl)ccc1N2c1ccc(Cl)c(Cl)c1	ZINC000040940571	HJ	Annotated	Anodyne	
CCOc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2CCC23CC4CC(CC(C4)C2)C3)cc1	ZINC000040940631	HJ	Annotated	Anodyne	
OCCN1CCC(c2ccc3c(-c4ccncn4)c(-c4ccc(F)cc4)[nH]c3c2)CC1	ZINC000040949249	HJ	Annotated	Anodyne	
CN(C)c1ccc(-c2c3ccc(=[N+](C)C)cc-3sc3cc(N(C)C)ccc23)cc1	ZINC000040949477	HJ	Annotated	Bother	
CN1C[C@](O)(c2ccc(-c3ccc(Br)cc3)cc2)O[C@H]2CCCC[C@@H]21	ZINC000040949997	HJ	Annotated	Anodyne	in-vitro
CN1C[C@@](O)(c2ccc(-c3ccc(Br)cc3)cc2)O[C@H]2CCCC[C@@H]21	ZINC000040949999	HJ	Annotated	Anodyne	in-vitro
CSc1ccc(Cc2nnc3sc(-c4ccc([N+](=O)[O-])cc4Cl)nn23)cc1	ZINC000040950126	HJ	Annotated	Bother	
CCCCCCOC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O	ZINC000040951075	HJ	Annotated	Mild	
CCOC(=O)c1cc2c3ccccc3n(C)c2c(-c2cc(OC)c(OC)c(OC)c2)n1	ZINC000040952149	HJ	Annotated	Anodyne	
FC(F)(F)Oc1cccc(-n2cc(-c3ccccc3NCc3ccncc3)nn2)c1	ZINC000040952157	HJ	Annotated	Anodyne	
COc1cc2c(/C=C/CN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5	ZINC000040952251	HJ	Annotated	Bother	
CC(C)(C#N)c1ccc(NC(=O)C2=CCN(c3ncccc3C(F)(F)F)CC2)cc1	ZINC000040952398	HJ	Annotated	Mild	
COc1cc2c(/C=C/[N+](=O)[O-])cc3c4cc5c(cc4ncc3c2cc1OC)OCO5	ZINC000040952675	HJ	Annotated	Bother	
C=CCN1C[C@H]2/C(=C\c3ccccc3)CC[C@@H]1CN2Cc1ccc(OC)cc1OC	ZINC000040953016	HJ	Annotated	Mild	
CC1=CC(=O)O/C1=C\C=C(/C)CC[C@@H]1[C@@]2(C)CCC[C@@]3(C)C(=O)O[C@@H](C[C@@]1(C)O)[C@H]23	ZINC000040953434	HJ	Annotated	Anodyne	
COC(=O)c1ccc(NCc2cncn2Cc2ccccc2C#N)cc1-c1ccccc1	ZINC000040954697	HJ	Annotated	Mild	
COc1cc2c(CCCN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5	ZINC000040955388	HJ	Annotated	Bother	
Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(N3CCOC[C@@H]3C)nncc2c1	ZINC000040955689	HJ	Annotated	Anodyne	
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1CC)C(=O)[C@@H](C)Cl	ZINC000040956333	HJ	Annotated	Reactive	
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1CC)C(=O)[C@@H](C)Cl	ZINC000040956336	HJ	Annotated	Reactive	
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1CC)C(=O)[C@H](C)Cl	ZINC000040956339	HJ	Annotated	Reactive	
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1CC)C(=O)[C@H](C)Cl	ZINC000040956342	HJ	Annotated	Reactive	
CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@@H]4O[C@H](C/C(C)=C\CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31	ZINC000040957680	HJ	Annotated	Anodyne	
CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@@H]4O[C@@H](C/C(C)=C\CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31	ZINC000040957685	HJ	Annotated	Anodyne	
O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)c2ccccc21	ZINC000040972711	HJ	Annotated	Anodyne	
CC(=O)C[C@@H]1OCC2=C1[C@H](/C=C/OC(=O)C=C(C)C)[C@@]1(C)CC[C@@H](C(C)(C)O)[C@@H]2C1	ZINC000040972766	HJ	Annotated	Anodyne	
O=C1OC2(CCN(C(=O)Nc3cc(-c4cccc(Cl)c4)no3)CC2)c2ccccc21	ZINC000040974632	HJ	Annotated	Anodyne	
COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C)N2CCC23CC4CC(CC(C4)C2)C3)cc1	ZINC000040975044	HJ	Annotated	Anodyne	
COC(=O)c1ccc(NCc2cncn2Cc2cccc(N)c2)cc1-c1ccccc1	ZINC000040975125	HJ	Annotated	Anodyne	
O=C(CCc1nc(-c2ccc(F)cc2Cl)no1)Nc1ccc(C(F)(F)F)nc1	ZINC000040977303	HJ	Annotated	Anodyne	
Clc1cccc(CO/N=C2\c3cccc(Cl)c3CC[C@@H]2Cn2cncn2)c1	ZINC000040979763	HJ	Annotated	Mild	
Clc1cccc(CO/N=C2\c3cccc(Cl)c3CC[C@H]2Cn2cncn2)c1	ZINC000040979765	HJ	Annotated	Mild	
CCCCCCCC(=O)OCn1c([S@@](=O)Cc2ccccn2)nc2ccccc21	ZINC000042765079	HJ	Annotated	Mild	
CCCCCCCC(=O)OCn1c([S@](=O)Cc2ccccn2)nc2ccccc21	ZINC000042765083	HJ	Annotated	Mild	
CCCCCCCCC(=O)C[C@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O	ZINC000042850798	HJ	Annotated	Mild	
CCCCCCCCC(=O)C[C@@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O	ZINC000042850801	HJ	Annotated	Mild	
Fc1cccc(-c2nc3ccccc3n2Cc2cn(-c3ccc(F)cc3F)nn2)c1	ZINC000042888538	HJ	Annotated	Anodyne	
CN(C)c1cccc(-c2c3ccc(=[N+](C)C)cc-3sc3cc(N(C)C)ccc23)c1	ZINC000042891482	HJ	Annotated	Bother	
CCCCCCSc1ccc(C(=O)CCN2CCNC(=O)C2)c(Cl)c1Cl	ZINC000042920831	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(=O)c2cc(CSC(=S)N(C(C)C)C(C)C)ccc2o1	ZINC000042922517	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2[C@@H]3CCCCC3=NN2S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000042964412	HJ	Annotated	Anodyne	
COc1ccc([C@H]2[C@@H]3CCCCC3=NN2S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000042964416	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2[C@H]3CCCCC3=NN2S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000042964419	HJ	Annotated	Anodyne	
COc1ccc([C@H]2[C@H]3CCCCC3=NN2S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000042964422	HJ	Annotated	Anodyne	
C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(N(C)C)cc3)CO[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	ZINC000042966038	HJ	Annotated	Reactive	
CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3C(C(=O)OC(C)(C)C)=C(C)NC(=[N+]23)N1	ZINC000042966407	HJ	Annotated	Mild	
CCCCCCCCCC/N=C(N)/N=C(\N)NCc1ccc(Cl)c(Cl)c1	ZINC000042989579	HJ	Annotated	Mild	
Brc1ccc(-c2cn3nc(Cc4noc5ccccc45)sc3n2)cc1	ZINC000042989929	HJ	Annotated	Anodyne	
CCc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1	ZINC000043010035	HJ	Annotated	Anodyne	
Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2Br)cc1	ZINC000043010071	HJ	Annotated	Anodyne	
CC(C)[C@@H](CO)n1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2c1=O	ZINC000043010959	HJ	Annotated	Anodyne	
CC(C)[C@H](CO)n1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2c1=O	ZINC000043010962	HJ	Annotated	Anodyne	
C[C@H](Cc1ccccc1)n1c(-c2cscn2)nc2ccnc(C(F)(F)F)c2c1=O	ZINC000043011437	HJ	Annotated	Anodyne	
O=C(N1CCCCC1)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1	ZINC000043011709	HJ	Annotated	Anodyne	in-vivo
O=C(N1CCCCC1)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1	ZINC000043011712	HJ	Annotated	Anodyne	in-vivo
COc1ccc(-c2nc3sc(Cc4noc5ccccc45)nn3c2SC#N)cc1	ZINC000043011760	HJ	Annotated	Reactive	
O=[N+]([O-])c1ccc(S(=O)(=O)N2N=C3CCCC[C@H]3[C@H]2c2ccc(Cl)cc2)cc1	ZINC000043011806	HJ	Annotated	Bother	
O=[N+]([O-])c1ccc(S(=O)(=O)N2N=C3CCCC[C@H]3[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000043011808	HJ	Annotated	Bother	
O=[N+]([O-])c1ccc(S(=O)(=O)N2N=C3CCCC[C@@H]3[C@H]2c2ccc(Cl)cc2)cc1	ZINC000043011811	HJ	Annotated	Bother	
O=[N+]([O-])c1ccc(S(=O)(=O)N2N=C3CCCC[C@@H]3[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000043011813	HJ	Annotated	Bother	
COc1cc2oc3c4c(cc(O)c3c(=O)c2c2c1OC(C)(C)CC2)OC(C)(C)CC4	ZINC000043012358	HJ	Annotated	Bother	
Cc1ccccc1Cn1c(-c2ccc(-n3cncn3)cc2)nc2c(F)cc(F)cc21	ZINC000043014926	HJ	Annotated	Anodyne	
Fc1cccc(Cn2c(-c3ccc(-n4cncn4)cc3)nc3c(F)cc(F)cc32)c1	ZINC000043015731	HJ	Annotated	Anodyne	
O=C(O)c1cccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)c1	ZINC000043016004	HJ	Annotated	Anodyne	
CS(=O)(=O)c1ccc([C@H]2Sc3ccccc3C(=O)N2c2ccc(F)cc2)cc1	ZINC000043016388	HJ	Annotated	Anodyne	
CS(=O)(=O)c1ccc([C@@H]2Sc3ccccc3C(=O)N2c2ccc(F)cc2)cc1	ZINC000043016391	HJ	Annotated	Anodyne	
O=[N+]([O-])c1ccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)cc1O	ZINC000043016697	HJ	Annotated	Bother	
C[C@H](Oc1cc[n+]([O-])c2ccccc12)c1cn(-c2ccc(Cl)c(Cl)c2)nn1	ZINC000043017914	HJ	Annotated	Anodyne	
C[C@@H](Oc1cc[n+]([O-])c2ccccc12)c1cn(-c2ccc(Cl)c(Cl)c2)nn1	ZINC000043017917	HJ	Annotated	Anodyne	
Cc1cccnc1-c1nc2ccnc(C(F)(F)F)c2c(=O)n1[C@H](C)Cc1ccccc1	ZINC000043017994	HJ	Annotated	Anodyne	
O=C(Nc1nnc(-c2c(Cl)cccc2Cl)s1)c1ccc2c(c1)NCCO2	ZINC000043018397	HJ	Annotated	Anodyne	
CCN1C[C@@H](N(Cc2cc(F)ccc2Cl)c2ccc(C#N)c(Cl)c2)CC1=O	ZINC000043019196	HJ	Annotated	Mild	
Fc1ccc(Cn2c(-c3ccc(-n4cncn4)cc3)nc3c(F)cc(F)cc32)cc1	ZINC000043020585	HJ	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1	ZINC000043020599	HJ	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)N[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1	ZINC000043020601	HJ	Annotated	Anodyne	
COc1c2occc2c(OC)c2c(OCCCCOc3ccccc3)cc(=O)oc12	ZINC000043022217	HJ	Annotated	Anodyne	
O=C(c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1)N1Cc2ccccc2C1	ZINC000043022350	HJ	Annotated	Anodyne	
O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc2c(c1)CCO2	ZINC000043022966	HJ	Annotated	Anodyne	
O=C1NC(S)=N/C1=C\c1cn(CCCCCOc2ccccc2)c2ccccc12	ZINC000043024803	HJ	Annotated	Anodyne	
N#Cc1ccc(OCCCCCn2cc(/C=C3\NC(=N)N=C3O)c3ccccc32)cc1	ZINC000043059256	HJ	Annotated	Mild	
Cc1ccc(N2C(=O)c3ccccc3S[C@H]2c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000043059572	HJ	Annotated	Anodyne	
Cc1ccc(N2C(=O)c3ccccc3S[C@@H]2c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000043059574	HJ	Annotated	Anodyne	
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OCC3CCCCC3)n2)cc1	ZINC000043059865	HJ	Annotated	Anodyne	
COc1cccc(Cn2c(-c3ccc(-n4cncn4)cc3)nc3c(F)cc(F)cc32)c1	ZINC000043059871	HJ	Annotated	Anodyne	
CC[C@@H](c1nnnn1C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1	ZINC000043063307	HJ	Annotated	Mild	
CC[C@H](c1nnnn1C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1	ZINC000043063311	HJ	Annotated	Mild	
CCOC(=O)c1cc(=O)c2cc(CSC(=S)N(C)c3ccccc3)ccc2o1	ZINC000043067502	HJ	Annotated	Anodyne	
Cc1ccc2c(Cl)c(CN3CCN(C(=O)Nc4ccc(C)nc4)CC3)sc2c1	ZINC000043068012	HJ	Annotated	Anodyne	
Cc1nc2ccccc2n1Cc1nnc(/N=C/c2ccc(Br)cc2)s1	ZINC000043068940	HJ	Annotated	Mild	
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OC3CCCCCC3)n2)cc1	ZINC000043068988	HJ	Annotated	Anodyne	
COc1cc2nc3c(cc2c(CN2CCOCC2)c1O)CSc1c(C)cc(C)cc1-3	ZINC000043073479	HJ	Annotated	Clean	
O=c1c2c(C(F)(F)F)nccc2nc(-c2ncccc2O)n1CCC1CCCCC1	ZINC000043073671	HJ	Annotated	Anodyne	
CC(C)=CCc1cc(C(=O)[C@@H](O)Cc2ccc(O)cc2)c(O)c(CC=C(C)C)c1O	ZINC000043076536	HJ	Annotated	Anodyne	
COc1ccccc1NC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1	ZINC000043079205	HJ	Annotated	Anodyne	
Cc1cccc(Cn2c(-c3ccc(-n4cncn4)cc3)nc3c(F)cc(F)cc32)c1	ZINC000043079305	HJ	Annotated	Anodyne	
CO[C@@H]1C(=O)CC[C@H](C(O)(C(F)(F)F)C(F)(F)F)[C@H]1/C(C)=C/CCC(C)C	ZINC000043104032	HJ	Annotated	Anodyne	in-vitro
Brc1c(-c2ccccc2)nc2sc(Cc3noc4ccccc34)nn12	ZINC000043119867	HJ	Annotated	Anodyne	
Cc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2Br)cc1	ZINC000043120122	HJ	Annotated	Anodyne	
O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NCc1ccccc1	ZINC000043120577	HJ	Annotated	Anodyne	
CCCO[C@@H](Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1)C(=O)O	ZINC000043121342	HJ	Annotated	Reactive	
N#Cc1ccc(OCCCCCn2cc(/C=C3\NC(=O)N=C3O)c3ccccc32)cc1	ZINC000043122123	HJ	Annotated	Mild	
CCn1nnnc1[C@@H](C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1	ZINC000043122762	HJ	Annotated	Mild	
CCn1nnnc1[C@H](C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1	ZINC000043122765	HJ	Annotated	Mild	
CC(=O)N1CCC[C@@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccccc1C#N	ZINC000043123223	HJ	Annotated	Mild	
CC(=O)N1CCC[C@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccccc1C#N	ZINC000043123226	HJ	Annotated	Mild	
CC(C)N(C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1)C(C)C	ZINC000043123520	HJ	Annotated	Anodyne	
COc1cc(/C=C/c2nc3n(n2)CCC[C@@H]3c2ccccc2)ccc1-n1cnc(C)c1	ZINC000043171169	HJ	Annotated	Anodyne	
CC(C)(C(=O)O)c1ccc(C(=O)Nc2cn3cc(-c4ccsc4)ccc3n2)cc1	ZINC000043193840	HJ	Annotated	Anodyne	
CCN(CC)Cc1ccc2[nH]c(-c3cc([C@H](O)C(C)C)cc4c3C(=O)NC4)cc2c1	ZINC000043194877	HJ	Annotated	Anodyne	in-vivo
CCN(CC)Cc1ccc2[nH]c(-c3cc([C@@H](O)C(C)C)cc4c3C(=O)NC4)cc2c1	ZINC000043194878	HJ	Annotated	Anodyne	in-vivo
O=C1OC2(CCC(CNc3nc(-c4ccccn4)cs3)CC2)CN1c1ccccn1	ZINC000043197391	HJ	Annotated	Anodyne	
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2nc1-c1cscn1	ZINC000043198046	HJ	Annotated	Anodyne	
CC(C)CCn1ccc(-c2ccc(OC3CCOCC3)c(Cl)c2)c(C#N)c1=O	ZINC000043198143	HJ	Annotated	Mild	
O=c1c2cc(-c3ccccc3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1	ZINC000043198506	HJ	Annotated	Anodyne	
CC(C)(O)c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1	ZINC000043203436	HJ	Annotated	Bother	
COC(=O)c1oc2ccccc2c1NC(=O)CSc1ccc(Br)cc1	ZINC000043204003	HJ	Annotated	Anodyne	
CC(C)c1ccccc1N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O	ZINC000043204687	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2nc3ncccc3n2C)CC[C@@H]1c1ccc(OC(F)(F)F)cc1F	ZINC000043206343	HJ	Annotated	Anodyne	
C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@@]4(CCCc5ccc(Cl)cc5)CC[C@@H]1[C@@]23OO4	ZINC000043308015	HJ	Annotated	Reactive	
C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@@]4(CCCc5ccc(Cl)cc5)CC[C@H]1[C@@]23OO4	ZINC000043379977	HJ	Annotated	Reactive	
C=C(c1ccccc1)[C@H]1COC2(CCC(Nc3ccc(NC(C)=O)cc3)CC2)OO1	ZINC000043393423	HJ	Annotated	Reactive	
C=C(c1ccccc1)[C@@H]1COC2(CCC(Nc3ccc(NC(C)=O)cc3)CC2)OO1	ZINC000043393426	HJ	Annotated	Reactive	
CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(SCC(=O)O)=CC1=O	ZINC000043574812	HJ	Annotated	Mild	
CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)n1cc(CCC)nn1	ZINC000043589911	HJ	Annotated	Mild	
CCCCCCCCCCCO[C@@H](c1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)[nH]c1=O	ZINC000043606070	HJ	Annotated	Mild	
CCCCCCCCCCCO[C@H](c1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)[nH]c1=O	ZINC000043606071	HJ	Annotated	Mild	
Brc1cccc(C2OOC(c3cccc(Br)c3)OO2)c1	ZINC000043617239	HJ	Annotated	Reactive	
Brc1ccccc1C1OOC(c2ccccc2Br)OO1	ZINC000043617242	HJ	Annotated	Reactive	
Brc1ccc(C2OOC(c3ccc(Br)cc3)OO2)cc1	ZINC000043620336	HJ	Annotated	Reactive	
C/C(=N/NC(=S)NNC(=S)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2	ZINC000043920180	HJ	Annotated	Mild	
CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C=C(SCC(=O)O)C1=O	ZINC000044093605	HJ	Annotated	Mild	
CCCCCCCCCCNC1=NC(C)(C)NC(NCCc2ccc(OC)cc2)=N1	ZINC000044430923	HJ	Annotated	Mild	
Nc1nn(-c2cccc(-c3ccc4cc[nH]c4c3)c2)cc1-c1ccc2c(c1)CCNC2=O	ZINC000044460344	HJ	Annotated	Anodyne	
N[C@H](COCc1ccccc1)c1csc(NC(=O)Nc2ccc(F)c(Cl)c2)n1	ZINC000044694831	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C[C@H](OCCCC)CN1C(=O)/C=C/c1ccc(C(C)C)cc1	ZINC000004546972	HJ	Annotated	Anodyne	
O=C1CN(C(=O)C2CCCCC2)[C@@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1	ZINC000004564421	HJ	Annotated	Anodyne	 
C[C@H]1C[C@H](NC(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)CC(C)(C)C1	ZINC000004575084	HJ	Annotated	Anodyne	 
C[C@H]1C[C@@H](NC(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)CC(C)(C)C1	ZINC000004575086	HJ	Annotated	Anodyne	 
C[C@@H]1[C@@H]2NC(=O)N(CCc3ccccc3)[C@@]1(C)Oc1ccc(Br)cc12	ZINC000004598007	HJ	Annotated	Anodyne	 
Cc1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)cc1C	ZINC000004602892	HJ	Annotated	Anodyne	 
CCOC(=O)c1c(O)n(C(=O)Nc2ccc(C)cc2)c2cc(C(F)(F)F)ccc12	ZINC000004654959	HJ	Annotated	Anodyne	in-vitro
C[C@@H]1CCC[C@H](NC(=O)CCCCCn2c(=S)[nH]c3ccsc3c2=O)[C@@H]1C	ZINC000004659201	HJ	Annotated	Anodyne	 
C[C@@H]1CCC[C@@H](NC(=O)CCCCCn2c(=S)[nH]c3ccsc3c2=O)[C@@H]1C	ZINC000004659203	HJ	Annotated	Anodyne	 
C=C[C@@H]1CC[C@H](O)[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)C1	ZINC000004661916	HJ	Annotated	Mild	 
C=C[C@@H]1CC[C@@H](O)[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)C1	ZINC000004661918	HJ	Annotated	Mild	 
CCC[C@H]1N=C(c2cccc(OC)c2)C[C@@H](c2cc(Br)ccc2O)N1	ZINC000004729672	HJ	Annotated	Anodyne	 
CCC[C@@H]1N=C(c2cccc(OC)c2)C[C@@H](c2cc(Br)ccc2O)N1	ZINC000004729673	HJ	Annotated	Anodyne	 
CCC[C@H]1N=C(c2cccc(OC)c2)C[C@H](c2cc(Br)ccc2O)N1	ZINC000004729675	HJ	Annotated	Anodyne	 
CCC[C@@H]1N=C(c2cccc(OC)c2)C[C@H](c2cc(Br)ccc2O)N1	ZINC000004729677	HJ	Annotated	Anodyne	 
COc1cccc(C2=N[C@H](C(C)C)N[C@H](c3cc(Br)ccc3O)C2)c1	ZINC000004729695	HJ	Annotated	Anodyne	 
COc1cccc(C2=N[C@@H](C(C)C)N[C@H](c3cc(Br)ccc3O)C2)c1	ZINC000004729696	HJ	Annotated	Anodyne	 
COc1cccc(C2=N[C@H](C(C)C)N[C@@H](c3cc(Br)ccc3O)C2)c1	ZINC000004729697	HJ	Annotated	Anodyne	 
COc1cccc(C2=N[C@@H](C(C)C)N[C@@H](c3cc(Br)ccc3O)C2)c1	ZINC000004729698	HJ	Annotated	Anodyne	 
N#CC1=C2CCCN2[P@@](=S)(SCc2ccccc2)N=C1N1CCCCC1	ZINC000004784264	HJ	Annotated	Reactive	 
N#CC1=C2CCCN2[P@](=S)(SCc2ccccc2)N=C1N1CCCCC1	ZINC000004784267	HJ	Annotated	Reactive	 
O=C(CCCn1c(=S)[nH]c2c(sc3ccccc32)c1=O)NC1CCCCCC1	ZINC000004793169	HJ	Annotated	Anodyne	
Cc1sc2ncnc(NC3CCCCCC3)c2c1S(=O)(=O)N1CCC(C)CC1	ZINC000004799587	HJ	Annotated	Anodyne	 
COC(=O)/C=C(/OC)[C@H](C)[C@H](/C=C/c1csc(-c2csc(C(C)C)n2)n1)OC	ZINC000004804547	HJ	Annotated	Anodyne	in-vitro
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H]1c2ccccc2O[C@H]2C=CC=C[C@@H]21	ZINC000004875024	HJ	Annotated	Anodyne	 
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H]1c2ccccc2O[C@@H]2C=CC=C[C@H]12	ZINC000004875034	HJ	Annotated	Anodyne	 
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H]1c2ccccc2O[C@@H]2C=CC=C[C@@H]21	ZINC000004875038	HJ	Annotated	Anodyne	 
CCOc1ccc(OCC)c(-n2cc(-c3ccc(OCC)c(Cl)c3)[nH]c2=O)c1	ZINC000004877873	HJ	Annotated	Anodyne	
COCCN(Cc1cc2cc(C)ccc2nc1Cl)C(=O)Nc1ccccc1OC	ZINC000004880633	HJ	Annotated	Anodyne	 
Cc1ccnc(NC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)c1	ZINC000004904705	HJ	Annotated	Anodyne	 
Cc1cc(NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)no1	ZINC000004904751	HJ	Annotated	Anodyne	
CCC1=Nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2Sc2ccc(C)cc21	ZINC000004930190	HJ	Annotated	Anodyne	 
O=C(O)CSCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1	ZINC000004964734	HJ	Annotated	Anodyne	 
O=C(O)CSCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1	ZINC000004964740	HJ	Annotated	Anodyne	 
O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1ccccc1-c1ccccc1	ZINC000004968260	HJ	Annotated	Anodyne	 
C/C(=N\Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1	ZINC000004990022	HJ	Annotated	Mild	 
O=C1CCCN1CCCNCc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1	ZINC000045168943	HJ	Annotated	Anodyne	
CCCN(CC1CC1)c1ncc(-c2ccccc2CNCc2ccccc2O)cn1	ZINC000045186608	HJ	Annotated	Clean	
CCCN(CC1CC1)c1ncc(-c2cccc(CNCc3ccccc3O)c2)cn1	ZINC000045186926	HJ	Annotated	Clean	
Cc1[nH]c(C)c(-c2ccc(OCc3ccc(F)cc3)nc2)c(=O)c1Br	ZINC000045187706	HJ	Annotated	Anodyne	
Cc1[nH]c(C)c(-c2ccc(OCc3cc(F)cc(F)c3)nc2)c(=O)c1Br	ZINC000045187982	HJ	Annotated	Anodyne	
COc1cccc(C(=O)[C@H]2C[C@H]2CN(C)CC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1	ZINC000045188118	HJ	Annotated	Anodyne	
CC1(C)CCCN(c2ncc(-c3cccc(CNCc4ccccc4O)c3)cn2)C1	ZINC000045188863	HJ	Annotated	Clean	
CC(C)(C)c1cc(C(=O)N2CCC(c3ccccn3)CC2)n(Cc2ccccc2)n1	ZINC000045188939	HJ	Annotated	Anodyne	
O=[N+]([O-])c1ccc(-n2nc(-c3cccnc3)n(Cc3ccco3)c2=S)c(Cl)c1	ZINC000045189295	HJ	Annotated	Bother	
COc1cc(C2=NN(S(=O)(=O)c3c(C)cc(C)cc3C)CCCC2)ccc1Cl	ZINC000045189786	HJ	Annotated	Anodyne	
N=C(NC[C@H]1C[C@H]1c1ccccc1)c1cccc(C(=N)NC[C@@H]2C[C@@H]2c2ccccc2)n1	ZINC000045190227	HJ	Annotated	Anodyne	 
N#Cc1cccc([C@@H](O)[C@H]2CN(CCC3CCCCC3)CC[C@@]2(O)c2ccccc2)c1	ZINC000045190411	HJ	Annotated	Mild	
CC[C@H](C)CNC(=O)c1cncc(-c2cccc(CNC3Cc4ccccc4C3)c2)c1	ZINC000045190532	HJ	Annotated	Anodyne	
O=C(Nc1ccc2c(c1)CN(Cc1ccc(N3CCCC3)o1)CCC2)c1cncs1	ZINC000045190878	HJ	Annotated	Anodyne	
Clc1ccc(CCNCCCCCCNCCc2ccc3c(c2)OCO3)cc1	ZINC000045190887	HJ	Annotated	Anodyne	
CC[C@@H](C)c1ccc(-n2c(Nc3ccccc3)nc3cc(S(N)(=O)=O)ccc32)cc1	ZINC000045190967	HJ	Annotated	Anodyne	
CC[C@H](C)c1ccc(-n2c(Nc3ccccc3)nc3cc(S(N)(=O)=O)ccc32)cc1	ZINC000045190970	HJ	Annotated	Anodyne	
CC(C)Cn1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1ccc(N(C)C)cc1	ZINC000045191061	HJ	Annotated	Mild	
CC1(C)NC(=N)NC(=N)N1OCCCCOc1ccc(Cl)cc1C1CCCCC1	ZINC000045192709	HJ	Annotated	Anodyne	
CC(=O)c1ccc(NC(=O)Nc2ccc(N(C)c3ccnc(NC4CC4)n3)cc2)cc1	ZINC000045193627	HJ	Annotated	Anodyne	
CN(c1ncc(-c2cccc(CNCc3ccccc3O)c2)cn1)C1CCCCC1	ZINC000045194470	HJ	Annotated	Clean	
N#Cc1ccc(-c2nc3c(N4CCCC4)cccc3n2CCNCc2ccccc2)cc1	ZINC000045195010	HJ	Annotated	Mild	
CC[C@H](C)CNC(=O)c1ccnc(-c2ccc(CNC3Cc4ccccc4C3)cc2)c1	ZINC000045202322	HJ	Annotated	Anodyne	
Cc1cc(C)c(C)c(S(=O)(=O)N2CCCCC(c3ccc(F)c(F)c3)=N2)c1C	ZINC000045210255	HJ	Annotated	Anodyne	
COc1cccc(OC(C)(C)c2nc(N[C@@H](C)c3ccccc3)c3cn[nH]c3n2)c1	ZINC000045226715	HJ	Annotated	Anodyne	
Cc1cccc2[nH]c(-c3cccc(-c4ccc(C(=O)NCc5nccn5C)cc4)c3)nc12	ZINC000045227294	HJ	Annotated	Anodyne	
Cc1[nH]c(C)c(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)c(=O)c1Cl	ZINC000045228343	HJ	Annotated	Anodyne	
CC(C)CNc1c2c(nc3cnn(-c4c5c(nc6cn[nH]c46)CCCC5)c13)CCCC2	ZINC000045228861	HJ	Annotated	Anodyne	
CN(CCc1ccccc1)c1ncc(-c2ccccc2CNCc2ccccc2O)cn1	ZINC000045230545	HJ	Annotated	Clean	
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](CSC)CC3=O	ZINC000045245365	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](CSC)CC3=O	ZINC000045245366	HJ	Annotated	Anodyne	
Clc1ccc([C@H]2NC(N3CCOCC3)=NC3=C2CCc2ccccc23)c(Cl)c1	ZINC000045245424	HJ	Annotated	Anodyne	
Clc1ccc([C@@H]2NC(N3CCOCC3)=NC3=C2CCc2ccccc23)c(Cl)c1	ZINC000045245425	HJ	Annotated	Anodyne	
COC1=C[C@@H]2CC[C@@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@H]2C=C1	ZINC000045245460	HJ	Annotated	Anodyne	
COC1=C[C@@H]2CC[C@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@H]2C=C1	ZINC000045245461	HJ	Annotated	Anodyne	
COC1=C[C@H]2CC[C@@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@H]2C=C1	ZINC000045245462	HJ	Annotated	Anodyne	
COC1=C[C@H]2CC[C@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@H]2C=C1	ZINC000045245463	HJ	Annotated	Anodyne	
O=CC1=C(Sc2cccc(O)c2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4	ZINC000045245571	HJ	Annotated	Reactive	
CCOc1ccc(Nc2c(C)c(NCC[C@@H]3CCCN3C)c(C#N)c3ccnn23)cc1	ZINC000045245864	HJ	Annotated	Mild	
CCOc1ccc(Nc2c(C)c(NCC[C@H]3CCCN3C)c(C#N)c3ccnn23)cc1	ZINC000045245865	HJ	Annotated	Mild	
C=C(C)COc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccncc1)CC2	ZINC000045253324	HJ	Annotated	Mild	
N#Cc1c(N[C@@H]2CCCNC2)cc(Nc2ccc(-c3ccccc3)cc2)n2nccc12	ZINC000045253783	HJ	Annotated	Mild	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccc3ccccc3c1)C2	ZINC000045255123	HJ	Annotated	Bother	
O=CC1=C(SC2CCCC2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4	ZINC000045256271	HJ	Annotated	Reactive	
O=CC1=C(SCc2ccccc2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4	ZINC000045256731	HJ	Annotated	Reactive	
O=C(CCNc1ccc(O)c([N+](=O)[O-])c1)N1c2ccccc2C=Cc2ccccc21	ZINC000045257020	HJ	Annotated	Bother	
Cc1c(C#N)c(N)nc2c3c(sc12)NC(=O)C[C@H]3c1cc(Cl)ccc1Cl	ZINC000045257559	HJ	Annotated	Mild	
Cc1c(C#N)c(N)nc2c3c(sc12)NC(=O)C[C@@H]3c1cc(Cl)ccc1Cl	ZINC000045257563	HJ	Annotated	Mild	
O=C(N/N=C/c1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccc(O)cc2)n1	ZINC000045258114	HJ	Annotated	Reactive	
O=c1c2c(nc3n1CCCCC3)sc1c(Sc3ccccc3)c(CO)ccc12	ZINC000045258267	HJ	Annotated	Anodyne	
O=CC1=C(Sc2ccc(O)cc2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4	ZINC000045259618	HJ	Annotated	Reactive	
O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2-c2n[nH]cc2[C@@H]1C(F)(F)F	ZINC000045261555	HJ	Annotated	Anodyne	
O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2-c2n[nH]cc2[C@H]1C(F)(F)F	ZINC000045261557	HJ	Annotated	Anodyne	
CN(C)C12CCN(CCN3CCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2	ZINC000045283960	HJ	Annotated	Anodyne	
CN(C)C12CCN(CCN3CCCC3)C([C@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2	ZINC000045283962	HJ	Annotated	Anodyne	
N#Cc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cc1	ZINC000045284342	HJ	Annotated	Mild	
COc1ccccc1NC(=O)Nc1ncnc2c1sc(=S)n2-c1ccccc1	ZINC000045284447	HJ	Annotated	Anodyne	
Cc1c(C#N)c(N)nc2c3c(sc12)NC(=O)C[C@H]3c1ccc(Cl)cc1Cl	ZINC000045284589	HJ	Annotated	Mild	
Cc1c(C#N)c(N)nc2c3c(sc12)NC(=O)C[C@@H]3c1ccc(Cl)cc1Cl	ZINC000045284591	HJ	Annotated	Mild	
Cc1cccc(-n2nccc2[C@H](NS(=O)(=O)c2ccc(Cl)s2)C(C)C)c1	ZINC000045284664	HJ	Annotated	Anodyne	
Cc1cccc(-n2nccc2[C@@H](NS(=O)(=O)c2ccc(Cl)s2)C(C)C)c1	ZINC000045284666	HJ	Annotated	Anodyne	
CC(C)[C@@H]1CN([C@@H](CNCc2ccccc2)C(C)C)CCN1CCc1ccccc1	ZINC000045285783	HJ	Annotated	Anodyne	
O=C(Nc1ncc(-c2ccc(F)cc2)[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O	ZINC000045286357	HJ	Annotated	Anodyne	
CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CCCC2CCCCC2)[C@H](C(C)C)C1	ZINC000045286631	HJ	Annotated	Anodyne	
CC[C@@H](C)[C@@H](CNC)N1CCN(CCC23CC4CC(CC(C4)C2)C3)[C@H](C(C)C)C1	ZINC000045287029	HJ	Annotated	Anodyne	
CC[C@H](C)[C@@H](CNC)N1CCN(CCC23CC4CC(CC(C4)C2)C3)[C@H](C(C)C)C1	ZINC000045287031	HJ	Annotated	Anodyne	
CCOc1ccc(N2C(=O)N(c3ccc4c(c3)Cc3ccccc3-4)C(=O)C2=S)cc1	ZINC000045287187	HJ	Annotated	Anodyne	
O=C(Nc1ccccc1[N+](=O)[O-])Nc1ncnc2c1sc(=S)n2-c1ccccc1	ZINC000045287314	HJ	Annotated	Bother	
CC1(C)C[C@@]2(OC(=O)N(Cc3ccccc3)C2=N)c2cc(Br)ccc2O1	ZINC000045288337	HJ	Annotated	Anodyne	
CC1(C)C[C@]2(OC(=O)N(Cc3ccccc3)C2=N)c2cc(Br)ccc2O1	ZINC000045288340	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc4ccccc4c3)c1)C2	ZINC000045288467	HJ	Annotated	Bother	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc4ccccc4c3)cc1)C2	ZINC000045288579	HJ	Annotated	Bother	
CCn1c(Cc2csc3nc(-c4ccc(Br)cc4)cn23)n[nH]c1=S	ZINC000045288971	HJ	Annotated	Anodyne	
N#Cc1cc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)ccc1F	ZINC000045289427	HJ	Annotated	Mild	
COc1cc(C)cc(-c2c(-c3ccnc(-c4ccc(C#N)cc4)c3)cnn2CC#N)c1	ZINC000045289717	HJ	Annotated	Mild	
CCCOc1c(C(=O)NC2=CCCC2)sc(C(=O)NC2=CCCC2)c1OCCC	ZINC000045298343	HJ	Annotated	Anodyne	
N#CCN(Cc1ccc(I)cc1)Cc1ccc2ccccc2c1	ZINC000045298657	HJ	Annotated	Mild	
Cc1ccc(N[C@@H](C)c2nc3ccccc3c(=O)n2CCO[C@@H]2CCCCO2)cc1C	ZINC000045300562	HJ	Annotated	Anodyne	
Cc1ccc(N[C@H](C)c2nc3ccccc3c(=O)n2CCO[C@@H]2CCCCO2)cc1C	ZINC000045300564	HJ	Annotated	Anodyne	
Cc1ccc(N[C@@H](C)c2nc3ccccc3c(=O)n2CCO[C@H]2CCCCO2)cc1C	ZINC000045300566	HJ	Annotated	Anodyne	
Cc1ccc(N[C@H](C)c2nc3ccccc3c(=O)n2CCO[C@H]2CCCCO2)cc1C	ZINC000045300568	HJ	Annotated	Anodyne	
COc1ccc(-c2nc(-c3ccccc3)oc2Sc2ncccn2)c(OC)c1OC	ZINC000045301299	HJ	Annotated	Anodyne	
CCN(CC)Cc1ccc2c(NC(=O)c3ccc(C)s3)c(C(=O)OC)sc2n1	ZINC000045301554	HJ	Annotated	Anodyne	
COc1ccc(C(=O)[C@H]2C[C@H]2CN(C)CC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000045301577	HJ	Annotated	Anodyne	
C[C@H](c1ccccc1)N1CCC(=O)[C@]2(C1)ON=C(c1ccccc1)[C@H]2c1ccccc1	ZINC000045302132	HJ	Annotated	Anodyne	
CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1cc(-c2ccc(F)cc2)nc2ccc(O)cc12	ZINC000045302172	HJ	Annotated	Anodyne	
O=C(CSc1snnc1-c1ccc2ccccc2c1)Nc1ccccc1[N+](=O)[O-]	ZINC000045315228	HJ	Annotated	Bother	
COC1=C(F)[C@@H]2CC[C@@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@H]2C=C1	ZINC000045317417	HJ	Annotated	Anodyne	
COC1=C(F)[C@@H]2CC[C@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@H]2C=C1	ZINC000045317421	HJ	Annotated	Anodyne	
COC1=C(F)[C@H]2CC[C@@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@H]2C=C1	ZINC000045317425	HJ	Annotated	Anodyne	
COC1=C(F)[C@H]2CC[C@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@H]2C=C1	ZINC000045317429	HJ	Annotated	Anodyne	
CCOc1ccc(Nc2c(C)c(NCC[C@@H]3CCCCN3)c(C#N)c3ccnn23)cc1	ZINC000045318344	HJ	Annotated	Mild	
CCOc1ccc(Nc2c(C)c(NCC[C@H]3CCCCN3)c(C#N)c3ccnn23)cc1	ZINC000045318348	HJ	Annotated	Mild	
O=CC1=C(Sc2ccccc2O)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4	ZINC000045318394	HJ	Annotated	Reactive	
O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2ccccc2-c2n[nH]cc2[C@@H]1C1CC1	ZINC000045318721	HJ	Annotated	Anodyne	
O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2ccccc2-c2n[nH]cc2[C@H]1C1CC1	ZINC000045318724	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C(F)(F)F)CC3=O	ZINC000045318992	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C(F)(F)F)CC3=O	ZINC000045318997	HJ	Annotated	Anodyne	
Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)NCc3ccc(F)cc3)c12	ZINC000045320094	HJ	Annotated	Anodyne	
COc1ccc(/C=N/c2c(C#N)c3n(c2C(=O)Nc2ccc(Cl)cc2)CCC3)cc1	ZINC000045320240	HJ	Annotated	Mild	
COc1ccc(/C(=N/Cc2ccccc2)c2ccc(=O)n(Cc3ccccc3)c2)c(O)c1	ZINC000045320751	HJ	Annotated	Mild	
CCOc1ccccc1CNc1nccc(NCCc2cn(C)c3ccccc23)n1	ZINC000045321101	HJ	Annotated	Anodyne	
CNc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccc(C)cc2n1	ZINC000045321173	HJ	Annotated	Anodyne	
Cc1c(C#N)c(N)nc2c3c(sc12)NC(=O)C[C@H]3c1cccc(Cl)c1Cl	ZINC000045321629	HJ	Annotated	Mild	
Cc1c(C#N)c(N)nc2c3c(sc12)NC(=O)C[C@@H]3c1cccc(Cl)c1Cl	ZINC000045321632	HJ	Annotated	Mild	
Cn1cnc2nc(NCCc3ccccc3)nc(NCc3cccc4ccccc34)c21	ZINC000045321767	HJ	Annotated	Anodyne	
COc1ccc(F)cc1-c1csc(N(c2ccc(F)cc2)C2CCNCC2)n1	ZINC000045322000	HJ	Annotated	Anodyne	
O=C1CC[C@@H](CCNCc2ccc(Cl)cc2)N1CC1(N2CCCCC2)CCCC1	ZINC000045322108	HJ	Annotated	Anodyne	
O=C1CC[C@H](CCNCc2ccc(Cl)cc2)N1CC1(N2CCCCC2)CCCC1	ZINC000045322110	HJ	Annotated	Anodyne	
CN(C)CCOc1ccc2nc(-c3cccc(OCc4ccccc4)c3)[nH]c2c1C#N	ZINC000045324480	HJ	Annotated	Mild	
COc1ccc(-c2nnc(Sc3ccc(C#N)c([N+](=O)[O-])c3)n2CCC(C)C)cc1	ZINC000045324896	HJ	Annotated	Mild	
Cc1ccc(F)cc1S(=O)(=O)N1CCCCC(c2ccc(C(F)(F)F)cc2)=N1	ZINC000045324989	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccc3nonc3c2)cc1	ZINC000045334392	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccc3nonc3c2)cc1	ZINC000045334394	HJ	Annotated	Anodyne	
Cc1ccc(-n2c(=O)n(-c3ccc(Cl)cc3)c3nc4cc(C)ccc4nc32)cc1	ZINC000045334826	HJ	Annotated	Anodyne	
CC(C)c1ncc(-c2ccncc2)c(C2CCC(CNC(=O)c3cccnc3)CC2)n1	ZINC000045334902	HJ	Annotated	Anodyne	
Cc1cccc2[nH]c(-c3cccc(-c4cccc(C(=O)NCc5nccn5C)c4)c3)nc12	ZINC000045334917	HJ	Annotated	Anodyne	
CCOc1ccc(Nc2c(C)c(NCCCCCCN)c(C#N)c3ccnn23)cc1	ZINC000045335007	HJ	Annotated	Mild	
CC(C)(C)c1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cc1	ZINC000045335013	HJ	Annotated	Bother	
O=C1C(N2CCCCC2)=NN(c2ccc(Cl)cc2)CN1c1ccccc1Cl	ZINC000045336645	HJ	Annotated	Anodyne	
CC(C)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)COC(=O)CCC(=O)O	ZINC000045336680	HJ	Annotated	Anodyne	
COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3[C@H](O)C[C@H]21	ZINC000045337112	HJ	Annotated	Anodyne	
COc1ccc(/C=C2\CCC/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)c(OC)c1OC	ZINC000045337914	HJ	Annotated	Mild	
O=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(Br)cc2)c2ccccc12	ZINC000045339697	HJ	Annotated	Anodyne	
CN(C)c1cccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)cc2)c1	ZINC000045340359	HJ	Annotated	Anodyne	
O=C1CCCC2=C1[C@@H](c1ccc(F)cc1Cl)N=C(c1c(F)cc(F)cc1F)N2	ZINC000045349073	HJ	Annotated	Mild	
O=C1CCCC2=C1[C@H](c1ccc(F)cc1Cl)N=C(c1c(F)cc(F)cc1F)N2	ZINC000045349076	HJ	Annotated	Mild	
O=C(Nc1ccncc1)C(=O)c1cn(-c2ccccc2Br)c2ccccc12	ZINC000045349161	HJ	Annotated	Anodyne	
CCC(O)(CC)c1ccc(C2(c3cccc(C(N)=O)c3)CCN(CC3CC3)CC2)cc1	ZINC000045351528	HJ	Annotated	Anodyne	
Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCN1CCCCC1)[C@H]3c1cccc(O)c1	ZINC000045351700	HJ	Annotated	Anodyne	
Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCN1CCCCC1)[C@@H]3c1cccc(O)c1	ZINC000045351704	HJ	Annotated	Anodyne	
Cc1ccc(-c2cc(Cc3ccco3)c3c(ncn4c(=O)c5ccccc5nc34)n2)cc1	ZINC000045352861	HJ	Annotated	Bother	
O=C(NCCCCCC/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1O	ZINC000045353444	HJ	Annotated	Mild	
O=C1O[C@H](COc2cccc(Br)c2)C=C1c1ccc(Br)cc1	ZINC000045354805	HJ	Annotated	Anodyne	
O=C1O[C@@H](COc2cccc(Br)c2)C=C1c1ccc(Br)cc1	ZINC000045354809	HJ	Annotated	Anodyne	
O=C(O)c1cn(Cc2ccc(-n3ccc4ccccc43)cc2)c2cccc(F)c2c1=O	ZINC000045373673	HJ	Annotated	Anodyne	
Cc1cc[n+](C#Cc2ccc(-c3ccc(C#C[n+]4ccc(C)c(C)c4)cc3)cc2)cc1C	ZINC000045374659	HJ	Annotated	Mild	
NCc1ccc(CNc2nc(Nc3cccc(F)c3)nc(-c3cccc(F)c3)n2)cc1	ZINC000045375328	HJ	Annotated	Anodyne	
CSCCCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12	ZINC000045386776	HJ	Annotated	Anodyne	
CSCCCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12	ZINC000045386780	HJ	Annotated	Anodyne	
COc1ccc(-c2cc3n(c2)-c2c(-c4ccc(OC)c(O)c4)csc2C3=O)cc1O	ZINC000045387027	HJ	Annotated	Anodyne	
CC(C)=CCOC1=CC2=C3c4ccc(OCC=C(C)C)cc4OC[C@@]3(O)CC2=CC1=O	ZINC000045387407	HJ	Annotated	Mild	
CC(C)=CCOC1=CC2=C3c4ccc(OCC=C(C)C)cc4OC[C@]3(O)CC2=CC1=O	ZINC000045387411	HJ	Annotated	Mild	
O=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(C(F)(F)F)cc2)c2ccccc12	ZINC000045387454	HJ	Annotated	Anodyne	
C=C[C@@](C)(O)CC[C@H]1C(=C)CC[C@H]2[C@](C)(COC(=O)CCC(=O)O)CCC[C@]12C	ZINC000045388274	HJ	Annotated	Mild	
C=C[C@@](C)(O)CC[C@@H]1C(=C)CC[C@H]2[C@](C)(COC(=O)CCC(=O)O)CCC[C@]12C	ZINC000045388278	HJ	Annotated	Mild	
C=C[C@@](C)(O)CC[C@H]1C(=C)CC[C@H]2[C@](C)(COC(=O)CCC(=O)OC)CCC[C@]12C	ZINC000045389355	HJ	Annotated	Mild	
CC(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)COC(=O)CCC(=O)O	ZINC000045391593	HJ	Annotated	Anodyne	
N#Cc1c(N)nc(Sc2cccc(Cl)c2)c(C#N)c1-c1ccc2c(c1)OCO2	ZINC000045484496	HJ	Annotated	Mild	
O=C1OCC2=C1[C@H](c1cc(Cl)cc(Cl)c1Cl)c1cc3c(cc1N2)OCO3	ZINC000045484915	HJ	Annotated	Anodyne	
O=C1OCC2=C1[C@@H](c1cc(Cl)cc(Cl)c1Cl)c1cc3c(cc1N2)OCO3	ZINC000045484919	HJ	Annotated	Anodyne	
COc1cc(OC)c2c3c1C(=O)C[C@@H]1c4ccccc4O[C@@H](c4cccc(O)c4-2)[C@H]31	ZINC000045495021	HJ	Annotated	Anodyne	
COc1cc(OC)c2c3c1-c1c(O)cccc1[C@@H]1Oc4ccccc4[C@@H](C[C@@H]2O)[C@@H]31	ZINC000045495047	HJ	Annotated	Anodyne	
COc1ccc(I)c2c1CN(Cc1ccccc1)C(C)(C)C2	ZINC000045495245	HJ	Annotated	Anodyne	
C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CCCN1	ZINC000045495589	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CCCN1	ZINC000045495592	HJ	Annotated	Anodyne	
Cc1ccc(Nc2nc(NCCc3ccncc3)ncc2-c2nnc(C3CC3)o2)cc1	ZINC000045496232	HJ	Annotated	Anodyne	
N#Cc1cc(F)cc(-c2ccc3c(c2)C(c2ccco2)(c2ccco2)OCC(=O)N3)c1	ZINC000045497559	HJ	Annotated	Mild	
Fc1cccc(-c2nc3ccccc3n2Cc2cn(-c3ccc(F)c(F)c3F)nn2)c1	ZINC000045497942	HJ	Annotated	Anodyne	
Fc1cccc(-c2nc3ccccc3n2Cc2cn(-c3ccc(F)c(F)c3)nn2)c1	ZINC000045497944	HJ	Annotated	Anodyne	
CCCO[C@@H](CN[C@@H]1COc2ccccc2SC1)CSc1ccccc1OC	ZINC000045498420	HJ	Annotated	Anodyne	
COc1ccc(-c2c3ccc(=[N+](C)C)cc-3sc3cc(N(C)C)ccc23)cc1OC	ZINC000045506003	HJ	Annotated	Bother	
Cc1ccsc1C=NNC(=O)c1cc(Cl)ccc1C(=O)NC1CCCCC1	ZINC000472791589	HJ	Annotated	Reactive	 
COc1ccc(N2CCN(CC3=NO[C@@H]4CCCC[C@@H]4[C@H]3c3ccccc3)CC2)cc1	ZINC000473081088	HJ	Annotated	Clean	 
Cc1cc2c(c3oc(=O)cc(CCCCl)c13)C(=O)c1c(OC(C)C)cccc1C2=O	ZINC000473082208	HJ	Annotated	Reactive	 
Cc1cc2c(c3oc(=O)c(C(C)(C)C)cc13)C(=O)c1c(OC(C)C)cccc1C2=O	ZINC000473082498	HJ	Annotated	Clean	 
O=C(O)c1ccc(-c2nc(C(=O)c3c(F)cccc3Cl)n3c2CCCC3)c(F)c1	ZINC000473082977	HJ	Annotated	Anodyne	 
COc1cc2c(cc1OC)CN(c1csc(=Nc3cccc(SC)c3)[nH]1)CC2	ZINC000473084144	HJ	Annotated	Anodyne	 
Cc1cc2c(c3oc(=O)c(CCCCl)cc13)C(=O)c1c(OC(C)C)cccc1C2=O	ZINC000473084232	HJ	Annotated	Reactive	 
Cc1cc2c(c3oc(=O)c(CCCC#N)cc13)C(=O)c1c(OC(C)C)cccc1C2=O	ZINC000473084651	HJ	Annotated	Mild	 
COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1C(=O)C=CC(=O)[C@H]13	ZINC000473084890	HJ	Annotated	Mild	 
O=C(/C=C(O)/C=C/c1cc2ccccc2nc1O)/C=C/c1cc2ccccc2nc1O	ZINC000473085927	HJ	Annotated	Mild	 
CCc1ccnc(-c2nccn2Cc2nnc(-c3ccc(Cl)cc3Cl)o2)c1	ZINC000473086802	HJ	Annotated	Anodyne	 
O=S(=O)(c1ccc(F)cc1)N(Cc1ncc[nH]1)c1ccccc1-c1ccccc1	ZINC000473088643	HJ	Annotated	Anodyne	 
CN=c1nc(NCC(F)(F)F)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1	ZINC000473089559	HJ	Annotated	Anodyne	 
COc1nc(NCCCN(C)C)c2sc(-c3ccc(C(F)(F)F)cc3)cc2n1	ZINC000473090052	HJ	Annotated	Anodyne	 
CN(C)CCCNc1nc(N(C)C)nc2cc(-c3ccc(C(F)(F)F)cc3)sc12	ZINC000473090498	HJ	Annotated	Anodyne	 
O=C(c1ccc(Cl)cc1)[C@H](CSCc1ncccn1)n1cnc2ccccc21	ZINC000473090888	HJ	Annotated	Anodyne	 
O=C(c1ccc(Cl)cc1)[C@@H](CSCc1ncccn1)n1cnc2ccccc21	ZINC000473090889	HJ	Annotated	Anodyne	 
Cc1ccc(Nc2ncc([C@@H](NC(=O)c3nccs3)C(C)C)cc2Cl)cn1	ZINC000473096839	HJ	Annotated	Anodyne	 
Cc1ccc(Nc2ncc([C@H](NC(=O)c3nccs3)C(C)C)cc2Cl)cn1	ZINC000473096840	HJ	Annotated	Anodyne	 
CCC[C@@H](NC(=O)c1cscn1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1	ZINC000473097931	HJ	Annotated	Anodyne	 
N#CC1CCN(c2nc(=N)[nH]c3cc(-c4ccc(C(F)(F)F)cc4)sc23)CC1	ZINC000473098031	HJ	Annotated	Mild	 
CCOc1ccn2cc(-c3ccc(NC(=O)N=c4cc(C(C)(C)C)o[nH]4)cc3)nc2c1	ZINC000473100472	HJ	Annotated	Anodyne	 
CCOc1ccc(-c2nc(N(C)C)sc2-c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000473101675	HJ	Annotated	Anodyne	 
CCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccccc1Br	ZINC000473104908	HJ	Annotated	Anodyne	 
CCC[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1	ZINC000473104946	HJ	Annotated	Anodyne	 
CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1	ZINC000473104947	HJ	Annotated	Anodyne	 
O=c1[nH]c2ccc(Br)cc2nc1/C=C/c1ccc(Br)cc1	ZINC000473105282	HJ	Annotated	Anodyne	 
C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(C(F)(F)F)cc3)nn21	ZINC000473105559	HJ	Annotated	Anodyne	 
CCc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(C)cc2)NC(=O)C3)cc1	ZINC000473106864	HJ	Annotated	Anodyne	 
CCCN(Cc1cnc(Nc2ccc(C)nc2)c(Cl)c1)C(=O)c1nccs1	ZINC000473106913	HJ	Annotated	Anodyne	 
NS(=O)(=O)c1ccc(/N=c2\scc(-c3cccs3)n2C2CCCCC2)cc1	ZINC000473107697	HJ	Annotated	Anodyne	 
CCCCCN1C(=O)/C(=C/NC2CCCCC2)C(=O)c2cc(Br)ccc21	ZINC000473108561	HJ	Annotated	Mild	 
O=C(O)c1nc2ccc(I)cc2c2[nH]c3ccc(Cl)cc3c12	ZINC000473108566	HJ	Annotated	Bother	 
Cc1ccc(Nc2ncc([C@@H](NC(=O)c3nccs3)C3CCC3)cc2Cl)cn1	ZINC000473109479	HJ	Annotated	Anodyne	 
Cc1ccc(Nc2ncc([C@H](NC(=O)c3nccs3)C3CCC3)cc2Cl)cn1	ZINC000473109480	HJ	Annotated	Anodyne	 
NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccccc3)n2C2CCCCC2)cc1	ZINC000473110084	HJ	Annotated	Anodyne	 
Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ccc(C(C)(C)O)cn1	ZINC000473110113	HJ	Annotated	Anodyne	 
Cc1ccccc1NC(=O)CSc1nccc(Oc2c(C)cc(C#N)cc2C)n1	ZINC000473111771	HJ	Annotated	Mild	 
NC(=O)c1cccc(-c2ccc3c(c2)COCCN3c2ccc(C(F)(F)F)cc2)n1	ZINC000473113808	HJ	Annotated	Anodyne	 
C[C@H](c1ccc(F)cc1)N(Cc1cccc(C(=O)O)c1)C(=O)c1cc2cc[nH]c2cn1	ZINC000473114087	HJ	Annotated	Anodyne	 
Cc1cn2cc(C#N)cc2c(C)c1Nc1nc(Cl)nc(Nc2ccc(C#N)cc2)n1	ZINC000473117297	HJ	Annotated	Mild	 
COc1cc2c3c(c4ccc(NC(C)=O)cc4c2cc1OC)CN1CCCC[C@H]1C3	ZINC000473119718	HJ	Annotated	Bother	 
COc1cc2c3c(c4ccc(NC(C)=O)cc4c2cc1OC)CN1CCCC[C@@H]1C3	ZINC000473119738	HJ	Annotated	Bother	 
C[C@H](c1ccc(F)cc1)N(Cc1cccc(C(=O)O)c1)C(=O)c1cn2ccccc2n1	ZINC000473120516	HJ	Annotated	Anodyne	 
Cc1cc(-c2cccc(SCC(=O)Nc3ccc(-c4cnccn4)cn3)c2)ccn1	ZINC000473120517	HJ	Annotated	Anodyne	 
CN1Cc2cc(C(F)(F)F)ccc2Oc2ccc(-c3cccc([C@H](O)CO)n3)cc21	ZINC000473121144	HJ	Annotated	Anodyne	 
COc1ccc(-c2ccc(CNCc3cc(OC)c(OC)c(OC)c3)o2)cc1Cl	ZINC000473123254	HJ	Annotated	Anodyne	 
NC(=O)c1cccc(-c2ccc3c(c2)OCCCN3c2ccc(C(F)(F)F)cc2)n1	ZINC000473124744	HJ	Annotated	Anodyne	 
OC[C@@H](O)c1cccc(-c2ccc3c(c2)CNc2cc(C(F)(F)F)ccc2O3)n1	ZINC000473125580	HJ	Annotated	Anodyne	 
CC(C)(C)OC(=O)n1cc(-c2cccc(NC(=O)c3cc4sccc4[nH]3)c2)[nH]c1=N	ZINC000473125942	HJ	Annotated	Anodyne	 
CN1c2ccc(-c3cccc([C@H](O)CO)n3)cc2CCc2cc(C(F)(F)F)ccc21	ZINC000473126505	HJ	Annotated	Anodyne	 
O=c1c2c[nH]nc2c2ncc(-c3ccccc3C(F)(F)F)cc2n1CC(F)(F)F	ZINC000473129013	HJ	Annotated	Anodyne	 
COc1cc(-n2ccc3cc(F)ccc32)cc2c1OCCN(Cc1cccnc1)C2	ZINC000473130849	HJ	Annotated	Anodyne	 
COc1cc(-c2nsc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2	ZINC000473132014	HJ	Annotated	Anodyne	 
COc1cc(N2CCc3cc(Cl)ccc32)cc2c1OCCN(Cc1cccnc1)C2	ZINC000473132432	HJ	Annotated	Anodyne	 
COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cncnc1)C2	ZINC000473132451	HJ	Annotated	Anodyne	 
COc1cc(-c2csc3ccccc23)cc2c1OCC(=O)N(Cc1cccnc1)C2	ZINC000473132452	HJ	Annotated	Anodyne	 
Clc1cc(Cl)cc(N2CCN(c3noc(-c4ccc5[nH]ccc5c4)n3)CC2)c1	ZINC000473152188	HJ	Annotated	Anodyne	 
CCN(CC)Cc1cc(C2=Cc3cc(CN(CC)CC)c(O)cc3OC2)ccc1O	ZINC000473152904	HJ	Annotated	Clean	 
CC1=N[C@H](CC(C)C)C(=O)N(Cc2ccncc2)c2cc(C(=O)OC(C)(C)C)ccc21	ZINC000473153112	HJ	Annotated	Anodyne	 
O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@@H](OCCCBr)C2	ZINC000473153902	HJ	Annotated	Reactive	 
O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@H](OCCCBr)C2	ZINC000473153903	HJ	Annotated	Reactive	 
Cc1ccc(-c2nc(CN3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)co2)cc1	ZINC000473153943	HJ	Annotated	Anodyne	 
O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@@H](OCCCN1CCCCC1)C2	ZINC000473154390	HJ	Annotated	Bother	 
O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@H](OCCCN1CCCCC1)C2	ZINC000473154391	HJ	Annotated	Bother	 
CCCCCCN1C(=O)C=C(Br)C1=C(Br)Br	ZINC000473154482	HJ	Annotated	Anodyne	 
CCOc1ccc2ccccc2c1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2	ZINC000473162348	HJ	Annotated	Anodyne	 
COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCN(C[C@H]4CCCOC4)C3)cc12	ZINC000473162934	HJ	Annotated	Anodyne	 
COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCN(C[C@H]4CCCOC4)C3)cc12	ZINC000473162936	HJ	Annotated	Anodyne	 
COc1cc(-c2nccc3nc(-c4cccc5[nH]ccc45)[nH]c23)cc(OC)c1OC	ZINC000473167251	HJ	Annotated	Anodyne	 
COc1cc(-c2nccc3nc(-c4cccc5cc[nH]c45)[nH]c23)cc(OC)c1OC	ZINC000473168050	HJ	Annotated	Anodyne	 
COc1cc(-c2nccc3nc(-c4cc5ccccc5[nH]4)[nH]c23)cc(OC)c1OC	ZINC000473168174	HJ	Annotated	Anodyne	 
COc1cc(-c2nccc3nc(-c4ccc5cc[nH]c5c4)[nH]c23)cc(OC)c1OC	ZINC000473170917	HJ	Annotated	Anodyne	 
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1C(F)(F)F	ZINC000473171649	HJ	Annotated	Anodyne	 
COc1cc(-c2nccc3c2N[C@H](c2cccc4cc[nH]c24)N3)cc(OC)c1OC	ZINC000473172854	HJ	Annotated	Anodyne	 
COc1cc(-c2nccc3c2N[C@@H](c2cccc4cc[nH]c24)N3)cc(OC)c1OC	ZINC000473172855	HJ	Annotated	Anodyne	 
Nc1cnc(-c2ccc(-c3ccccc3CS(=O)(=O)c3ccccc3)cc2F)cn1	ZINC000473179113	HJ	Annotated	Anodyne	 
CCOc1ccc2ccccc2c1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(F)cn1)C2	ZINC000473180267	HJ	Annotated	Anodyne	 
Cc1cc(C)nc(OC[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-c2cccs2)n1	ZINC000473180421	HJ	Annotated	Anodyne	 
Cc1cc(C)nc(OC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-c2cccs2)n1	ZINC000473180430	HJ	Annotated	Anodyne	 
Cc1ncc(C2([C@@H](C)NC(=O)c3c(F)cccc3Cl)CCC(F)(F)CC2)cn1	ZINC000473194376	HJ	Annotated	Anodyne	 
Cc1ncc(C2([C@H](C)NC(=O)c3c(F)cccc3Cl)CCC(F)(F)CC2)cn1	ZINC000473194383	HJ	Annotated	Anodyne	 
CC(C)c1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)cc1	ZINC000473194446	HJ	Annotated	Mild	 
CC(C)c1ccccc1Oc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1C#N	ZINC000473194507	HJ	Annotated	Mild	 
Cc1ncc(C2([C@@H](C)NC(=O)c3cccc(F)c3Cl)CCC(F)(F)CC2)cn1	ZINC000473194810	HJ	Annotated	Anodyne	 
Cc1ncc(C2([C@H](C)NC(=O)c3cccc(F)c3Cl)CCC(F)(F)CC2)cn1	ZINC000473194811	HJ	Annotated	Anodyne	 
N#Cc1ccc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@@H](N)CC4)c3c2)s1	ZINC000473194864	HJ	Annotated	Mild	 
Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)c(Cl)c1	ZINC000473197691	HJ	Annotated	Mild	 
O=C(NC[C@@H](CC1CC1)c1cnc(C(F)(F)F)nc1)c1cccc(F)c1Cl	ZINC000473197823	HJ	Annotated	Anodyne	 
O=C(NC[C@H](CC1CC1)c1cnc(C(F)(F)F)nc1)c1cccc(F)c1Cl	ZINC000473197825	HJ	Annotated	Anodyne	 
CC(=O)c1c[nH]c2ccc(-c3ccc(O)cc3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1	ZINC000473198592	HJ	Annotated	Anodyne	 
C[C@@H](CN1Cc2cc(Oc3ccccc3)ccc2NC1=N)C(=O)NCCC(C)(C)C	ZINC000473233258	HJ	Annotated	Anodyne	 
COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@@H]12)C1=C3C(=O)C=CC1=O	ZINC000473235227	HJ	Annotated	Mild	 
COc1cc2c(cc1OC)[C@H]1c3cc(OC)c(OC)cc3[C@H](C2)N(CC2CC2)[C@@H]1C	ZINC000473245291	HJ	Annotated	Anodyne	 
Fc1ccc(F)c([C@H]2C[C@H](c3cccc(Br)c3)N=C3N=NNN32)c1F	ZINC000473248722	HJ	Annotated	Anodyne	 
Fc1ccc(F)c([C@@H]2C[C@H](c3cccc(Br)c3)N=C3N=NNN32)c1F	ZINC000473248723	HJ	Annotated	Anodyne	 
Fc1ccc(F)c([C@H]2C[C@@H](c3cccc(Br)c3)N=C3N=NNN32)c1F	ZINC000473248725	HJ	Annotated	Anodyne	 
Fc1ccc(F)c([C@@H]2C[C@@H](c3cccc(Br)c3)N=C3N=NNN32)c1F	ZINC000473248727	HJ	Annotated	Anodyne	 
CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(CO)CCC[C@]4(C)[C@H]2C[C@@H]1[C@H]1[C@@H](O)CC[C@H](O)[C@H]13	ZINC000473249328	HJ	Annotated	Anodyne	 
Cc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)C3CCOCC3)c3ccccc23)c(O)n1	ZINC000474606081	HJ	Annotated	Anodyne	 
CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4CC[C@@]5(O)C[C@]43C=N5)[C@@]2(C)CCC12OCCO2	ZINC000474608960	HJ	Annotated	Anodyne	 
C=C(NCc1ccc(C)cc1)c1c(/C=C2/C(=O)ON=C2C)c2cc(F)ccc2n1C	ZINC000474609026	HJ	Annotated	Mild	 
Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1cnc(C(F)(F)F)cn1	ZINC000474609269	HJ	Annotated	Anodyne	 
Cc1cc(C)c(CNC(=O)c2c(C)n([C@@H](C)c3ccccn3)c3ccccc23)c(O)n1	ZINC000474609500	HJ	Annotated	Anodyne	 
Cc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)c3ccccn3)c3ccccc23)c(O)n1	ZINC000474609504	HJ	Annotated	Anodyne	 
COc1ccc(CN2C(=O)/C(=C\C=C\c3ccc(N(C)C)cc3)c3cccnc32)cc1	ZINC000474609845	HJ	Annotated	Clean	 
C=C1CC/C=C(\C)CC[C@H](C(=C)C)[C@@H](OC(C)=O)/C=C(/COC(C)=O)CC[C@H]1O	ZINC000048998441	HJ	Annotated	Mild	
O=c1c(Br)c(OCc2ccc(F)cc2)ccn1Cc1cccc(F)c1	ZINC000048998442	HJ	Annotated	Anodyne	
Cc1c2c(cc3c1C(=O)CC(C)(C)O3)Oc1c(C=O)c(O)c(Cl)c(C)c1C(=O)O2	ZINC000048999008	HJ	Annotated	Anodyne	in-vitro
O=c1c(Br)c(OCc2ccc(F)cc2F)ccn1Cc1cccc(F)c1	ZINC000049000054	HJ	Annotated	Anodyne	
C=C(C)[C@H]1CC/C(C)=C/C/C=C(/C)[C@@H](O)CC/C(COC(C)=O)=C\[C@@H]1OC(C)=O	ZINC000049018592	HJ	Annotated	Mild	
Cn1c(Nc2ccc(CCNc3ncnc4ccsc34)cc2)nc2ccccc21	ZINC000049019039	HJ	Annotated	Anodyne	
C=C(C)[C@H]1CC(=O)C(C)=C2[C@@H](C(=O)OCC)O[C@@H](c3cccc(Br)c3)[C@@H]21	ZINC000049031242	HJ	Annotated	Mild	
CC(=N\NC(=O)c1oc2ccccc2c1C)/C(=N/Nc1ccccc1)N1CCCCC1	ZINC000049032074	HJ	Annotated	Reactive	
N[C@H](CNc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1	ZINC000049032916	HJ	Annotated	Anodyne	
C=C(C)[C@H]1CC=C(C)[C@]2(O)[C@@H](C(=O)OCC)O[C@@H](c3ccc(Cl)cc3Cl)[C@H]12	ZINC000049033622	HJ	Annotated	Mild	
COc1ccccc1NC(=O)Nc1c(-c2ccc(F)cc2)[nH]c2ccccc2c1=O	ZINC000049035900	HJ	Annotated	Anodyne	
Cc1ccc(NS(=O)(=O)c2cc3c(CN=[N+]=[N-])cc(=O)oc3cc2C)cc1Cl	ZINC000049037304	HJ	Annotated	Clean	
C=C(C)[C@H]1CC(=O)C(C)=C2[C@@H](C(=O)OCC)O[C@@H](c3ccccc3Br)[C@@H]21	ZINC000049046472	HJ	Annotated	Mild	
Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1	ZINC000049048766	HJ	Annotated	Anodyne	
NC(=O)c1ccc2c(c1)nc(NCc1ccccc1Cl)n2[C@@H]1CCc2ccccc21	ZINC000049050297	HJ	Annotated	Anodyne	
NC(=O)c1ccc2c(c1)nc(NCc1ccccc1Cl)n2CCc1ccccc1	ZINC000049052967	HJ	Annotated	Anodyne	
CCO[P@]1(=O)OC(C2CC2)=C(I)c2ccc(Cl)cc21	ZINC000049054271	HJ	Annotated	Anodyne	
CCO[P@@]1(=O)OC(C2CC2)=C(I)c2ccc(Cl)cc21	ZINC000049054274	HJ	Annotated	Anodyne	
CCCCN(CC)C(=O)c1c(CC)nc2n1CCC(=O)N2c1c(C)cc(C)cc1C	ZINC000049054621	HJ	Annotated	Anodyne	
O=C(OCc1ccccc1)[C@@H]1COC(c2cccc(Cl)c2OCc2ccccc2)=N1	ZINC000049055321	HJ	Annotated	Anodyne	
NC(=O)c1ccc2c(c1)nc(NCc1ccccc1Cl)n2[C@H]1CCc2ccccc21	ZINC000049066571	HJ	Annotated	Anodyne	
CC(=O)N1CCC[C@@]1(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)OCc1ccccc1	ZINC000049067619	HJ	Annotated	Anodyne	
CC(=O)N1CCC[C@]1(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)OCc1ccccc1	ZINC000049067621	HJ	Annotated	Anodyne	
Cc1ccc(C(C)(C)C)cc1Nc1nc(NCCc2ccncc2)nc2ncn(C)c12	ZINC000049067714	HJ	Annotated	Anodyne	
COc1ccc(-c2csc(N/N=C(\c3ccccc3)[C@H](O)c3ccccc3)n2)cc1	ZINC000049068128	HJ	Annotated	Mild	
C/C(=C\CCC1=CCN(CC(=O)O)C1=O)CC/C=C(\C)CCC[C@H](C)CC(=O)O	ZINC000049068989	HJ	Annotated	Anodyne	
Clc1ccc(-c2[nH]nc(C3CCN(C4CCOCC4)CC3)c2-c2ccncn2)cc1	ZINC000049070885	HJ	Annotated	Anodyne	
NC(=O)c1sc2nc3c(c(-c4ccc(C(F)(F)F)o4)c2c1N)CCCCCC3	ZINC000049070922	HJ	Annotated	Anodyne	
N#Cc1cccc([C@@](O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c1	ZINC000049071289	HJ	Annotated	Mild	
N#Cc1cccc([C@](O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c1	ZINC000049071291	HJ	Annotated	Mild	
C=CCSc1nc2ccc(N(CC=C)CC=C)cc2c(=O)n1Cc1ccccc1	ZINC000049072129	HJ	Annotated	Mild	
O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@]21CCCC1=O	ZINC000049073153	HJ	Annotated	Anodyne	
O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H](c1ccccc1)[C@]21CCCC1=O	ZINC000049073155	HJ	Annotated	Anodyne	
CC(C)CN(C(=O)c1ccc2c(c1)CCO2)c1ccnc(N[C@@H](C)c2ccccc2)n1	ZINC000049087600	HJ	Annotated	Anodyne	
C/C(=C\CCC1=CCN(CC(=O)O)C1=O)CC/C=C(\C)CCC[C@@H](C)CC(=O)O	ZINC000049087801	HJ	Annotated	Anodyne	
Cc1cc(Cl)ccc1[C@@H]1CCc2c(C(=O)N3CCC3)cc3c(nc(C)n3C)c2O1	ZINC000049088592	HJ	Annotated	Anodyne	
CC(C)CC(=O)c1c(O)cc2oc3c(C(=O)CC(C)C)c(O)cc(O)c3c2c1O	ZINC000049088902	HJ	Annotated	Anodyne	
CC[C@H](C)C(=O)c1c(O)cc2oc3c(C(=O)[C@H](C)CC)c(O)cc(O)c3c2c1O	ZINC000049088903	HJ	Annotated	Anodyne	
CC[C@H](C)C(=O)c1c(O)cc2oc3c(C(=O)[C@@H](C)CC)c(O)cc(O)c3c2c1O	ZINC000049088904	HJ	Annotated	Anodyne	
CC[C@@H](C)C(=O)c1c(O)cc2oc3c(C(=O)[C@H](C)CC)c(O)cc(O)c3c2c1O	ZINC000049088905	HJ	Annotated	Anodyne	
CC[C@H](C)C(=O)c1c(O)cc(O)c2c1oc1cc(O)c(C(=O)[C@H](C)CC)c(O)c12	ZINC000049088906	HJ	Annotated	Anodyne	
Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1ccc(Cl)cc1Cl)O3	ZINC000049089072	HJ	Annotated	Anodyne	
OC1=NC[C@@H]2[C@@H](C=NN2Cc2ccccc2)[C@@H](c2ccc(Br)cc2)S1	ZINC000049089812	HJ	Annotated	Anodyne	
OC1=NC[C@H]2[C@@H](C=NN2Cc2ccccc2)[C@@H](c2ccc(Br)cc2)S1	ZINC000049089813	HJ	Annotated	Anodyne	
c1ccc2c(c1)OC[C@H](c1nc3ccc(-c4ccncc4)cc3n1C1CCOCC1)O2	ZINC000049090022	HJ	Annotated	Anodyne	
c1ccc2c(c1)OC[C@@H](c1nc3ccc(-c4ccncc4)cc3n1C1CCOCC1)O2	ZINC000049090023	HJ	Annotated	Anodyne	
CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Br)cc(F)c1N[C@H]2c1ccccc1	ZINC000049109762	HJ	Annotated	Anodyne	
COc1ccccc1NC(=O)Nc1c(-c2cccc(F)c2)[nH]c2ccccc2c1=O	ZINC000049111411	HJ	Annotated	Anodyne	
O=C(NCCc1ccccc1)Nc1c(-c2cccc(F)c2)[nH]c2ccccc2c1=O	ZINC000049111993	HJ	Annotated	Anodyne	
Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1cccc2ccccc12	ZINC000049112127	HJ	Annotated	Clean	
N#CSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccc(Br)cc2)O1	ZINC000049112390	HJ	Annotated	Reactive	
C[C@H](Nc1nccc(N(CC2CC2)C(=O)c2ccc3c(c2)CCO3)n1)c1ccccc1	ZINC000049112690	HJ	Annotated	Anodyne	
COC(=O)n1c([C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)O)nc2ccccc21	ZINC000049112745	HJ	Annotated	Anodyne	
COC(=O)n1c([C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)O)nc2ccccc21	ZINC000049112746	HJ	Annotated	Anodyne	
COC(=O)n1c([C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)O)nc2ccccc21	ZINC000049112747	HJ	Annotated	Anodyne	
COC(=O)n1c([C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)O)nc2ccccc21	ZINC000049112748	HJ	Annotated	Anodyne	
Cc1cc(C)n(-c2ccc(-c3nn4c(-c5ccccc5Cl)nnc4s3)cc2)n1	ZINC000049112773	HJ	Annotated	Anodyne	
C=C(C)[C@H]1CC/C(C)=C/C/C=C(\C)[C@H](O)CC/C(COC(C)=O)=C\[C@@H]1OC(C)=O	ZINC000049115583	HJ	Annotated	Mild	
COc1cc(Cl)c2nc3ccccc3c(N3N=C(CBr)CC3=O)c2c1	ZINC000049125564	HJ	Annotated	Reactive	
Oc1nc(SCCc2ccccc2)nc(Cc2ccccc2)c1Br	ZINC000049126198	HJ	Annotated	Anodyne	
Cc1ccc(-c2c(C(=O)N(C)[C@H](C)c3ccccc3)n(C)c(=O)c3ncccc23)cc1	ZINC000049237174	HJ	Annotated	Anodyne	
CN(C)c1ccc2c(CC(=O)O[C@H]3CC[C@H]4C(C)(C)CCC[C@]34C)cc(=O)oc2c1	ZINC000049756885	HJ	Annotated	Anodyne	
CC(C)[C@]12C=C3CC[C@@H]4[C@](C)(CCC[C@@]4(C)COC(=O)CCC(=O)O)[C@@]3(CC1)OO2	ZINC000049761913	HJ	Annotated	Reactive	
C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)CCC(=C)[C@H]23)[C@](C)(OC(C)=O)CC[C@@H]1OC(C)=O	ZINC000049783959	HJ	Annotated	Mild	
O=C(O)CC[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1	ZINC000049785384	HJ	Annotated	Anodyne	
C=C(C)[C@H]1CC=C(C)[C@]2(O)[C@@H](C(=O)OCC)O[C@@H](c3cccc(Cl)c3Cl)[C@H]12	ZINC000049792408	HJ	Annotated	Mild	
CC(C)(C)COc1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2[nH]ncc12	ZINC000049792525	HJ	Annotated	Anodyne	
CO[C@@H]1OC[C@@H]2[C@@H](O)C[C@@H]3[C@@](C)([C@@H]12)[C@H](O)C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]31C	ZINC000049802791	HJ	Annotated	Anodyne	
CO[C@@H]1OC[C@H]2[C@@H](O)C[C@@H]3[C@@](C)([C@H]21)[C@H](O)C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]31C	ZINC000049802792	HJ	Annotated	Anodyne	
COc1ccc2cc(C3=CN4C(=O)c5cc(OC)c(OC)cc5N=C[C@@H]4C3)ccc2c1	ZINC000049803257	HJ	Annotated	Anodyne	
Cc1c(C)c2c(c(Cc3noc(/C=C/c4ccc(O)c(O)c4)n3)c1O)CCC(C)(C)O2	ZINC000049803287	HJ	Annotated	Clean	
COc1cc2c(cc1OC)C(=O)N1C=C(c3cccc(OC(F)(F)F)c3)C[C@H]1C=N2	ZINC000049803467	HJ	Annotated	Anodyne	
CCN(CC)CCNc1nccc2c1ccc1c3cc(OC)c(OC)cc3cnc21	ZINC000049803516	HJ	Annotated	Bother	
O=C(NC1CC1)c1cccc(CSCCNC(=O)c2c(Cl)cccc2Cl)c1	ZINC000049803646	HJ	Annotated	Anodyne	
COc1ccc(Cc2noc([C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)n2)cc1OC	ZINC000049803823	HJ	Annotated	Anodyne	
COc1ccc(Cc2noc([C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)n2)cc1OC	ZINC000049803824	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(C(F)(F)F)cc3)C[C@H]1C=N2	ZINC000049803899	HJ	Annotated	Anodyne	
Nc1nc(=S)[nH]c2nc(SCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c12	ZINC000049807611	HJ	Annotated	Anodyne	
CCN(CC)CCCNc1ccc2c(ccc3c4cc5c(cc4cnc23)OCO5)n1	ZINC000049807721	HJ	Annotated	Bother	
COc1cc2c(cc1OC)C(=O)N1C=C(c3ccccc3C(F)(F)F)C[C@H]1C=N2	ZINC000049807757	HJ	Annotated	Anodyne	
COc1ccc(Cc2nnc([C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)o2)cc1OC	ZINC000049807768	HJ	Annotated	Anodyne	
COc1ccc(Cc2nnc([C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)o2)cc1OC	ZINC000049807769	HJ	Annotated	Anodyne	
COc1ccc(-c2nnc([C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)o2)cc1OC	ZINC000049807902	HJ	Annotated	Anodyne	
COc1ccc(-c2nnc([C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)o2)cc1OC	ZINC000049807903	HJ	Annotated	Anodyne	
COc1cccc(CSCCNC(=O)c2c(Cl)cccc2Cl)c1OC	ZINC000049807931	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(Cl)c(Cl)c3)C[C@H]1C=N2	ZINC000049807970	HJ	Annotated	Anodyne	
CCN(CC)CCNc1ccc2c(ccc3c4cc(OC)c(OC)cc4cnc23)n1	ZINC000049808085	HJ	Annotated	Bother	
COc1ccc(-c2noc([C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)n2)cc1OC	ZINC000049808268	HJ	Annotated	Anodyne	
COc1ccc(-c2noc([C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)n2)cc1OC	ZINC000049808269	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)C(=O)N1C=C(c3cccc(C(F)(F)F)c3)C[C@H]1C=N2	ZINC000049808359	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccc(C(F)(F)F)cc2)C[C@@H]2[C@@H]1C(=O)c1cc(Cl)ccc1N2O	ZINC000049844740	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H]2[C@@H]1C(=O)c1cc(Cl)ccc1N2O	ZINC000049844741	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H]2[C@@H]1C(=O)c1cc(Cl)ccc1N2O	ZINC000049844742	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@H]2[C@@H]1C(=O)c1cc(Cl)ccc1N2O	ZINC000049844743	HJ	Annotated	Anodyne	
CCCCCCCCNC1=NC(C)(C)NC(NCc2ccc(C(F)(F)F)cc2)=N1	ZINC000049867453	HJ	Annotated	Mild	
CCCCCCCCCCCNC1=NC(C)(C)NC(NCc2ccc(OC)cc2)=N1	ZINC000049867606	HJ	Annotated	Mild	
CCCCCCCCCCNC1=NC(C)(C)NC(NCc2ccc(OC)cc2)=N1	ZINC000049867613	HJ	Annotated	Mild	
C=CCN1CCN(C2=Nc3ccc(Br)cc3CC=C2c2ccccc2)CC1	ZINC000049918237	HJ	Annotated	Mild	
Clc1ccccc1C1=CCc2cc(Br)ccc2N=C1N1CCNCC1	ZINC000049918279	HJ	Annotated	Anodyne	
N#Cc1ccc(Nc2nc(N)nc(Cc3c(Cl)ccc(Cl)c3Cl)n2)cc1	ZINC000000581105	HJ	Annotated	Mild	aggregator
Cc1ccc(-c2c(C(=O)N(C)[C@@H](C)c3ccccc3)n(C)c(=O)c3ncccc23)cc1	ZINC000000583793	HJ	Annotated	Anodyne	
CN1CC=C(c2cn(S(=O)(=O)c3cccc4ccccc34)c3ccc(F)cc23)CC1	ZINC000000589552	HJ	Annotated	Anodyne	
O[C@H](CCN1CCN(c2cccc3cccnc23)CC1)c1csc2ccc(F)cc12	ZINC000000594934	HJ	Annotated	Anodyne	
CSC1=N[C@H]2/C(=C(/O)OCCCCCSc3c2cccc3[N+](=O)[O-])C(C)=N1	ZINC000000598293	HJ	Annotated	Bother	
COc1c(C)c(C)c(O)c(C)c1CN(C)CCOc1cc(C)c(O)cc1C(C)C	ZINC000000602050	HJ	Annotated	Anodyne	
CC(C)C(=O)Oc1c2c(c(OC(=O)C(C)C)c3cc(Cl)ccc13)OCCCO2	ZINC000000603466	HJ	Annotated	Anodyne	
CNC(=O)N(C)CCN1CCC(n2cc(-c3ccc(F)cc3)c3cc(C)ccc32)CC1	ZINC000000604456	HJ	Annotated	Anodyne	
O=C(c1ccccc1Cl)c1cc2oc(=O)n(CCc3ccncc3)c2cc1Cl	ZINC000000604888	HJ	Annotated	Anodyne	
CSC1=N[C@H]2/C(=C(/O)OCCCCCSc3ccc([N+](=O)[O-])cc32)C(C)=N1	ZINC000000605590	HJ	Annotated	Bother	
Clc1ccc2c(c1)[C@@]1(CN3CCC(Nc4ncccn4)CC3)C[C@@H]2c2ccccc21	ZINC000000606550	HJ	Annotated	Anodyne	
CCOC(=O)/C(C#N)=C/c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1	ZINC000000606746	HJ	Annotated	Reactive	
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1	ZINC000000688605	HJ	Annotated	Anodyne	
Cc1ccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)c(C(=O)O)c1	ZINC000000701962	HJ	Annotated	Anodyne	 
Brc1ccc(-c2nnc(-c3ccccc3)c(N3CCSCC3)n2)cc1	ZINC000000721181	HJ	Annotated	Anodyne	aggregator
Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)N(C)C3CCCCC3)sc2n1	ZINC000000753909	HJ	Annotated	Anodyne	
CC[C@H]1CCCCN1C(=O)c1sc2nc(C)nc(N3CCC(C)CC3)c2c1C	ZINC000000753913	HJ	Annotated	Anodyne	
CC[C@@H]1CCCCN1C(=O)c1sc2nc(C)nc(N3CCC(C)CC3)c2c1C	ZINC000000753914	HJ	Annotated	Anodyne	
CCOC(=O)Nc1ccc2c(c1)N(C(=O)[C@@H](C)N1CCCCC1)c1ccccc1CC2	ZINC000000754986	HJ	Annotated	Anodyne	 
CCOC(=O)Nc1ccc2c(c1)N(C(=O)[C@H](C)N1CCCCC1)c1ccccc1CC2	ZINC000000754987	HJ	Annotated	Anodyne	 
CCC[C@@H]1[C@H]2CC=C[C@H]2c2cc(C(=O)O)ccc2N1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000000756228	HJ	Annotated	Anodyne	 
COc1ccccc1-n1c(SC)nc2c(sc(=S)n2-c2ccccc2)c1=O	ZINC000000756680	HJ	Annotated	Anodyne	 
CSc1nc2c(sc(=S)n2-c2ccccc2F)c(=O)n1-c1ccc(F)cc1	ZINC000000756699	HJ	Annotated	Anodyne	 
CCn1c(=S)sc2c(=O)n(-c3ccccc3)c(SCC(=O)C(C)(C)C)nc21	ZINC000000756711	HJ	Annotated	Anodyne	
COc1ccc(Cc2noc(-c3cc(-c4ccncc4)nc4ccccc34)n2)cc1OC	ZINC000000756788	HJ	Annotated	Anodyne	
CC1(C)C[C@@H](NCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1	ZINC000000760191	HJ	Annotated	Anodyne	
CC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21	ZINC000000763281	HJ	Annotated	Anodyne	
CC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21	ZINC000000763282	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)cc1	ZINC000000767189	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)cc1	ZINC000000767191	HJ	Annotated	Anodyne	
COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1	ZINC000000767207	HJ	Annotated	Anodyne	
CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2N)cc1	ZINC000000767660	HJ	Annotated	Anodyne	
CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2N)cc1	ZINC000000767661	HJ	Annotated	Anodyne	
Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12	ZINC000000767768	HJ	Annotated	Anodyne	
Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12	ZINC000000767770	HJ	Annotated	Anodyne	
O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1	ZINC000000768604	HJ	Annotated	Anodyne	
O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1	ZINC000000768605	HJ	Annotated	Anodyne	
O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1	ZINC000000768643	HJ	Annotated	Anodyne	
O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1	ZINC000000768644	HJ	Annotated	Anodyne	
C[C@@]1(C(=O)NCCc2c(Cl)cccc2Cl)CON=C1c1ccc(Cl)cc1	ZINC000000768956	HJ	Annotated	Anodyne	
C[C@]1(C(=O)NCCc2c(Cl)cccc2Cl)CON=C1c1ccc(Cl)cc1	ZINC000000768957	HJ	Annotated	Anodyne	
O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1	ZINC000000769051	HJ	Annotated	Anodyne	
O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1	ZINC000000769052	HJ	Annotated	Anodyne	
O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1	ZINC000000769268	HJ	Annotated	Anodyne	
O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1	ZINC000000769270	HJ	Annotated	Anodyne	
CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1	ZINC000000770058	HJ	Annotated	Anodyne	
CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1	ZINC000000770060	HJ	Annotated	Anodyne	
CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1	ZINC000000770888	HJ	Annotated	Anodyne	 
O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1	ZINC000000772081	HJ	Annotated	Anodyne	
O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1	ZINC000000772082	HJ	Annotated	Anodyne	
O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1	ZINC000000772120	HJ	Annotated	Anodyne	
O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1	ZINC000000772122	HJ	Annotated	Anodyne	
C[C@@]1(C(=O)NCCc2c(Cl)cccc2Cl)CON=C1c1cccc(Cl)c1	ZINC000000772429	HJ	Annotated	Anodyne	
C[C@]1(C(=O)NCCc2c(Cl)cccc2Cl)CON=C1c1cccc(Cl)c1	ZINC000000772430	HJ	Annotated	Anodyne	
O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1	ZINC000000772524	HJ	Annotated	Anodyne	
O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1	ZINC000000772525	HJ	Annotated	Anodyne	
COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1	ZINC000000772528	HJ	Annotated	Anodyne	
COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1	ZINC000000772530	HJ	Annotated	Anodyne	
O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1	ZINC000000772739	HJ	Annotated	Anodyne	
O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1	ZINC000000772741	HJ	Annotated	Anodyne	
O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccsc1	ZINC000000773567	HJ	Annotated	Anodyne	
O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccsc1	ZINC000000773568	HJ	Annotated	Anodyne	
COc1cccc(CNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccoc2)c1OC	ZINC000000773599	HJ	Annotated	Anodyne	
CC(C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000773802	HJ	Annotated	Bother	
COc1ccc(-c2noc(-c3ccc(C(C)C)cc3)c2C(=O)NCC(C)(C)CO)cc1	ZINC000000774218	HJ	Annotated	Anodyne	
COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCc2ccccc2OC)cc1	ZINC000000774380	HJ	Annotated	Anodyne	
CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NC[C@@H](O)CC)cc1	ZINC000000774643	HJ	Annotated	Anodyne	
CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NC[C@H](O)CC)cc1	ZINC000000774644	HJ	Annotated	Anodyne	
CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccsc1	ZINC000000774683	HJ	Annotated	Anodyne	
CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccsc1	ZINC000000774684	HJ	Annotated	Anodyne	
CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccsc1	ZINC000000774685	HJ	Annotated	Anodyne	
CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccsc1	ZINC000000774686	HJ	Annotated	Anodyne	
O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccoc1	ZINC000000774710	HJ	Annotated	Anodyne	
O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccoc1	ZINC000000774711	HJ	Annotated	Anodyne	
CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)N[C@H]1CCCC[C@H]1O	ZINC000000774933	HJ	Annotated	Anodyne	
CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)N[C@@H]1CCCC[C@H]1O	ZINC000000774934	HJ	Annotated	Anodyne	
CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)N[C@H]1CCCC[C@@H]1O	ZINC000000774935	HJ	Annotated	Anodyne	
CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000000774936	HJ	Annotated	Anodyne	
CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1	ZINC000000774956	HJ	Annotated	Anodyne	
CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1	ZINC000000774957	HJ	Annotated	Anodyne	
CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1	ZINC000000774958	HJ	Annotated	Anodyne	
CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1	ZINC000000774959	HJ	Annotated	Anodyne	
CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H]2CCCC[C@H]2O)c1	ZINC000000775022	HJ	Annotated	Anodyne	
CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@H]2O)c1	ZINC000000775023	HJ	Annotated	Anodyne	
CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H]2CCCC[C@@H]2O)c1	ZINC000000775024	HJ	Annotated	Anodyne	
CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@@H]2O)c1	ZINC000000775025	HJ	Annotated	Anodyne	
O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccsc1	ZINC000000775153	HJ	Annotated	Anodyne	
O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccsc1	ZINC000000775154	HJ	Annotated	Anodyne	
COc1cccc(CNC(=O)c2c(-c3ccccc3F)noc2-c2ccoc2)c1OC	ZINC000000775185	HJ	Annotated	Anodyne	
CC(C)(CO)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F	ZINC000000775290	HJ	Annotated	Anodyne	
CC(C)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000775388	HJ	Annotated	Bother	
COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NC2CCCCC2)c(OC)c1OC	ZINC000000775499	HJ	Annotated	Anodyne	
COc1cccc(CNC(=O)c2c(C(C)(C)C)noc2-c2ccsc2)c1OC	ZINC000000775738	HJ	Annotated	Anodyne	
COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCc1cccc(OC)c1OC	ZINC000000775790	HJ	Annotated	Anodyne	
COc1cccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccsc2)c1OC	ZINC000000775873	HJ	Annotated	Anodyne	
COc1ccc(OC)c(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccsc2)c1	ZINC000000775874	HJ	Annotated	Anodyne	
COc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccsc2)cc(OC)c1	ZINC000000775875	HJ	Annotated	Anodyne	
CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCc1ccccc1OC	ZINC000000775936	HJ	Annotated	Anodyne	
COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCc2ccccc2)c(OC)c1OC	ZINC000000775946	HJ	Annotated	Anodyne	
CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccoc2)ccc1OC	ZINC000000776212	HJ	Annotated	Anodyne	
COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)NCC(C)C	ZINC000000776300	HJ	Annotated	Anodyne	
COc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccsc2)cc1OC	ZINC000000776307	HJ	Annotated	Anodyne	
CC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21	ZINC000000776713	HJ	Annotated	Anodyne	
CC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21	ZINC000000776714	HJ	Annotated	Anodyne	
COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H](C)C(C)C)c(OC)c1	ZINC000000776851	HJ	Annotated	Anodyne	
COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H](C)C(C)C)c(OC)c1	ZINC000000776852	HJ	Annotated	Anodyne	
COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCC(C)C)c(OC)c1	ZINC000000777182	HJ	Annotated	Anodyne	
COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCC2CCCCC2)c(OC)c1	ZINC000000777189	HJ	Annotated	Anodyne	
CCN(Cc1ccccc1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1	ZINC000000835060	HJ	Annotated	Anodyne	
O=C(c1ccoc1)N(c1cccnc1Cl)C1CCN(CCc2ccccc2)CC1	ZINC000000837989	HJ	Annotated	Anodyne	
CCN(CC)CCn1nc2c3ccccc3sc3c(CNC(=O)OC)ccc1c32	ZINC000000838523	HJ	Annotated	Bother	
CC(=O)C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1ccccc1Cl	ZINC000000843869	HJ	Annotated	Mild	 
CC(=O)C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1Cl	ZINC000000843870	HJ	Annotated	Mild	 
C[C@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F	ZINC000000866922	HJ	Annotated	Anodyne	 
Oc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1	ZINC000000895447	HJ	Annotated	Anodyne	
CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)NC[C@H]3CCCO3)c2c1	ZINC000000922181	HJ	Annotated	Anodyne	 
CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)NC[C@@H]3CCCO3)c2c1	ZINC000000922182	HJ	Annotated	Anodyne	 
Cn1c(=O)c2cc(C(=O)Nc3ccc(F)cc3F)sc2c2ccc(Cl)cc21	ZINC000005022195	HJ	Annotated	Anodyne	 
CCCN(C(=O)COc1cc(=O)n(CC)c2ccccc12)c1ccc(C(C)C)cc1	ZINC000005067363	HJ	Annotated	Anodyne	 
CC1(C)C[C@H](NCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1	ZINC000005069699	HJ	Annotated	Anodyne	
O=C(c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2)N1CCCCC1	ZINC000005071120	HJ	Annotated	Anodyne	
O=C(c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2)N1CCCCC1	ZINC000005071124	HJ	Annotated	Anodyne	
O=C(c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2)N1CCCCC1	ZINC000005071128	HJ	Annotated	Anodyne	
O=C(c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2)N1CCCCC1	ZINC000005071133	HJ	Annotated	Anodyne	
COc1ccc(CN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1	ZINC000005071296	HJ	Annotated	Anodyne	
COc1ccc(CN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1	ZINC000005071302	HJ	Annotated	Anodyne	
CCn1c(C(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc2sccc21	ZINC000005085509	HJ	Annotated	Anodyne	 
CCc1ccc(-n2c(=S)sc3c(=O)[nH]c(SCc4cccnc4)nc32)cc1	ZINC000005091896	HJ	Annotated	Anodyne	
O=c1oc2ccc3ccccc3c2cc1C1=Nn2c(nnc2-c2ccccc2)SC1	ZINC000005100087	HJ	Annotated	Bother	
Cc1cc(C)c2nc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)sc2c1	ZINC000005106651	HJ	Annotated	Anodyne	 
CCc1ccc2nc(N(CCN(C)C)C(=O)c3ccc4ncsc4c3)sc2c1	ZINC000005115406	HJ	Annotated	Anodyne	 
COc1cc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc(Br)c1O	ZINC000005126223	HJ	Annotated	Mild	
COCCn1c(SCc2ccc(Br)cc2)nnc1-c1cccc(C)c1	ZINC000005243546	HJ	Annotated	Anodyne	 
C=CC/C=C/Cc1csc(C(C)(C)[C@H](O)C/C=C/C(=C)CCNC(=O)OC)n1	ZINC000005358086	HJ	Annotated	Mild	
COc1cccc([C@@H]2CC(C)=Nc3c(ccc4c3C(=O)c3ccccc3C4=O)N2)c1O	ZINC000005499093	HJ	Annotated	Clean	
COc1cccc([C@H]2CC(C)=Nc3c(ccc4c3C(=O)c3ccccc3C4=O)N2)c1O	ZINC000005499097	HJ	Annotated	Clean	
C=C1[C@H](OC(=O)[C@]2(C)O[C@H]2C)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3	ZINC000523041656	HJ	Annotated	Mild	
Cc1cc(N2CCN(C/C=C\c3ccccc3)CC2)n2c(nc3ccccc32)c1C#N	ZINC000052693299	HJ	Annotated	Mild	 
C=C1[C@H](OC(=O)[C@]2(C)O[C@@H]2C)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3	ZINC000525915248	HJ	Annotated	Mild	
C=C1[C@H](OC(=O)[C@@]2(C)O[C@H]2C)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3	ZINC000525915249	HJ	Annotated	Mild	
CC(C)CC(=O)OC(=O)[C@]1(C)CCC[C@@]2(C)C3=C[C@@H]4[C@@H]5C[C@@]3(CC[C@H]12)[C@H](O)[C@@]45C	ZINC000525915258	HJ	Annotated	Reactive	
CC[C@@H](C)CNC(=O)c1ccnc(-c2ccc(CNC3Cc4ccccc4C3)cc2)c1	ZINC000053064438	HJ	Annotated	Anodyne	 
CC1=CC[C@@H]([C@@](C)(O)CCCC(C)(C)NC(=S)N/N=C\c2ccc(O)cc2)CC1	ZINC000053230164	HJ	Annotated	Mild	
C/C(=N/NC(=O)Nc1nnc(COc2ccc3ccccc3c2)o1)c1ccc(C)cc1	ZINC000053242704	HJ	Annotated	Reactive	
CC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@@H](COC(=O)C(C)(C)C)[C@@]2(C)CCC1=CCOC1=O	ZINC000053242820	HJ	Annotated	Mild	
CCOc1ccc(NCc2nc3cc(OC)ccc3[n+]([O-])c2-c2ccccc2)cc1	ZINC000053243370	HJ	Annotated	Anodyne	
Cc1cc2nc(NCCCO)n(CC(=O)c3cccc(OC(C)(C)C)c3)c2cc1C	ZINC000053293798	HJ	Annotated	Anodyne	
CCN(CC)CCNCc1cc2c3ccccc3n(Cc3ccc(F)cc3)c2cn1	ZINC000053294899	HJ	Annotated	Anodyne	
Oc1ccc(/C=N/c2nnc(Cn3c4ccccc4c4ccccc43)s2)c(O)c1	ZINC000053295342	HJ	Annotated	Mild	
C[C@H](C(=O)N1CCCC1)c1cccc([C@H](OC(=O)N2CCCC2)c2ccccc2)c1	ZINC000053295913	HJ	Annotated	Anodyne	
C[C@@H](C(=O)N1CCCC1)c1cccc([C@H](OC(=O)N2CCCC2)c2ccccc2)c1	ZINC000053295916	HJ	Annotated	Anodyne	
C[C@H](C(=O)N1CCCC1)c1cccc([C@@H](OC(=O)N2CCCC2)c2ccccc2)c1	ZINC000053295919	HJ	Annotated	Anodyne	
C[C@@H](C(=O)N1CCCC1)c1cccc([C@@H](OC(=O)N2CCCC2)c2ccccc2)c1	ZINC000053295923	HJ	Annotated	Anodyne	
N#Cc1c(N)nc(SCC(=O)c2cccc(Cl)c2)c(C#N)c1-c1ccsc1	ZINC000053295926	HJ	Annotated	Mild	
COc1ccc(Br)cc1Cc1cc(OC)c(OC)cc1Br	ZINC000053296715	HJ	Annotated	Anodyne	
CCc1c(-c2ccccc2)c(C#N)c2nc3ccccc3n2c1N1CC[C@H](N(C)C)C1	ZINC000053297370	HJ	Annotated	Mild	
N#Cc1c(N)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1-c1ccsc1	ZINC000053297752	HJ	Annotated	Mild	
CC1=CC[C@@H]([C@@](C)(O)CCCC(C)(C)NC(=S)N/N=C\c2ccccc2)CC1	ZINC000053299112	HJ	Annotated	Mild	
COc1ccc(N(CC(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12	ZINC000053314273	HJ	Annotated	Anodyne	
COC1=CC(=O)[C@]2(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@@H]2[C@@H]1OC(C)=O	ZINC000535386056	HJ	Annotated	Mild	
CC(=O)O[C@@H]1C(C)=CC(=O)[C@]2(C/C=C(\C)CC/C=C(\C)CCCC(C)(C)O)O[C@H]12	ZINC000535386093	HJ	Annotated	Mild	
CC(=O)O[C@H]1C(C)=CC(=O)[C@]2(C/C=C(\C)CC/C=C(\C)CCCC(C)(C)O)O[C@H]12	ZINC000535386094	HJ	Annotated	Mild	
COC(=O)c1c(C[C@@H](Cc2ccc3c(c2)CCCC3)C(=O)OC)ccc2c1CCCC2	ZINC000005537762	HJ	Annotated	Anodyne	
COc1ccc(NC(=O)CC(=O)n2nc(C)c(/N=N/c3cccc(C)c3)c2C)cc1	ZINC000005541998	HJ	Annotated	Clean	
O=[N+]([O-])c1ccc2c(c1)nc(Cc1ccccc1)n2C[C@@H]1CCCN2CCCC[C@H]12	ZINC000005544515	HJ	Annotated	Bother	
O=[N+]([O-])c1ccc2c(c1)nc(Cc1ccccc1)n2C[C@@H]1CCCN2CCCC[C@@H]12	ZINC000005544517	HJ	Annotated	Bother	
CC(C)=NN/C(=N/S(=O)(=O)c1cc2ccccc2s1)Nc1ccc(Cl)cc1	ZINC000005579360	HJ	Annotated	Mild	
COc1c(C)c2c(c(=O)c3c(C)cccc3n2C)c2c1c(=O)c1c(C)cccc1n2C	ZINC000005579717	HJ	Annotated	Bother	
Cc1ccccc1-n1c(=O)c2ncn([C@@H]3CCCO3)c2n(-c2ccccc2C)c1=S	ZINC000005579825	HJ	Annotated	Anodyne	
CN(C)c1ccc(/C=C/C=c2/c3ccccc3n3c2cc(-c2ccccc2)[n+]3C)cc1	ZINC000005582528	HJ	Annotated	Clean	
CN(C)c1ccc(/C=c2/c3ccccc3n3c2cc(-c2ccc(Cl)cc2)[n+]3C)cc1	ZINC000005582530	HJ	Annotated	Clean	 
COc1cccc(/N=N/C(=N/NC(=O)c2ccc(C)cc2)c2ccc(N(C)C)cc2)c1	ZINC000005582836	HJ	Annotated	Reactive	
COc1ccc(N[C@H](C[S@](=O)c2ccc(C)cc2)C(F)(F)C(F)(F)F)cc1	ZINC000005582862	HJ	Annotated	Anodyne	
COc1ccc(N[C@H](C[S@@](=O)c2ccc(C)cc2)C(F)(F)C(F)(F)F)cc1	ZINC000005582863	HJ	Annotated	Anodyne	
CCN1/C(=C/c2sc3ccc(C(=O)OC)cc3[n+]2CC)C=Cc2cc(OC)ccc21	ZINC000005585984	HJ	Annotated	Clean	
O=[N+]([O-])c1ccc([C@@H]2CC(c3ccc(NCc4nc5ccccc5[nH]4)cc3)=NO2)cc1	ZINC000005594047	HJ	Annotated	Bother	
O=[N+]([O-])c1ccc([C@H]2CC(c3ccc(NCc4nc5ccccc5[nH]4)cc3)=NO2)cc1	ZINC000005594052	HJ	Annotated	Bother	
CN(C)c1ccc(/C=c2/c3ccccc3n3c2cc(/C=C/c2ccccc2)[n+]3C)cc1	ZINC000005596310	HJ	Annotated	Clean	
COC(=O)[C@@H]1SC(N(C)c2ccccc2)=NC12c1ccccc1Nc1ccccc12	ZINC000005596505	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2[nH]c(O)nc2c([N+](=O)[O-])c1Nc1c2ccccc2nc2ccccc12	ZINC000005597144	HJ	Annotated	Clean	
COc1cc2c(cc1O)[C@@H]1C[C@H](C[C@H]3CCCCN13)OC(=O)CCc1ccc(cc1)O2	ZINC000005639674	HJ	Annotated	Anodyne	 
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2/C(S)=N/c1ccc(OC(F)F)cc1	ZINC000005656362	HJ	Annotated	Mild	 
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2/C(S)=N/c1ccc(OC(F)F)cc1	ZINC000005656376	HJ	Annotated	Mild	 
CC(=O)O[C@]1(Sc2ccccc2)C[C@@H]2[C@H]3COC(C)(C)O[C@H]3CC[C@@]2(C)CC1=O	ZINC000005664646	HJ	Annotated	Anodyne	
CC(=O)O[C@]1(Sc2ccccc2)C[C@H]2[C@H]3COC(C)(C)O[C@H]3CC[C@@]2(C)CC1=O	ZINC000005664655	HJ	Annotated	Anodyne	
CC(=O)O[C@@]1(Sc2ccccc2)C[C@@H]2[C@H]3COC(C)(C)O[C@H]3CC[C@@]2(C)CC1=O	ZINC000005712079	HJ	Annotated	Anodyne	
CC(=O)O[C@@]1(Sc2ccccc2)C[C@H]2[C@H]3COC(C)(C)O[C@H]3CC[C@@]2(C)CC1=O	ZINC000005712088	HJ	Annotated	Anodyne	
COC(=O)c1c2c(cc3c1C[C@@]1(Cc4cc5c(c(C(C)=O)c4C1)CCC5)C3)CCC2	ZINC000005713049	HJ	Annotated	Anodyne	
COCCCN1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@H]2C1=O	ZINC000005714670	HJ	Annotated	Anodyne	 
CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@@]1(C)C2=CC[C@@H](c4ccoc4)[C@]2(C)CC[C@@H]13	ZINC000005742262	HJ	Annotated	Anodyne	in-vitro biogenic
CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@]45C[C@]35CC[C@]12C	ZINC000005763289	HJ	Annotated	Anodyne	 
O=c1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)ccn1CCCl	ZINC000005808460	HJ	Annotated	Reactive	
CC#C[C@@H]1[C@H](OC(=O)c2ccccc2)CCC[C@@]1(CI)N=[N+]=[N-]	ZINC000005808661	HJ	Annotated	Reactive	
CC#C[C@H]1[C@H](OC(=O)c2ccccc2)CCC[C@@]1(CI)N=[N+]=[N-]	ZINC000005808663	HJ	Annotated	Reactive	
CC#C[C@@H]1[C@@H](OC(=O)c2ccccc2)CCC[C@@]1(CI)N=[N+]=[N-]	ZINC000005808665	HJ	Annotated	Reactive	
CC#C[C@H]1[C@@H](OC(=O)c2ccccc2)CCC[C@@]1(CI)N=[N+]=[N-]	ZINC000005808667	HJ	Annotated	Reactive	
C[C@@]1(C(=O)Nc2ccc3cc4ccccc4cc3c2)C[C@]2(C)C[C@](C)(C1)[C@@H](O)NC2=O	ZINC000005813171	HJ	Annotated	Bother	
C[C@@]1(C(=O)Nc2ccc3cc4ccccc4cc3c2)C[C@@]2(C)C[C@@](C)(C1)[C@@H](O)NC2=O	ZINC000005813172	HJ	Annotated	Bother	
CCCC[C@@](O)(C(=O)Nc1ccccc1)C(=O)N(Nc1ccccc1)c1ccccc1	ZINC000005821947	HJ	Annotated	Reactive	
CC(C)n1c(O)c(/N=N/C(=O)CNC(=O)Cc2ccc(Cl)cc2)c2ccccc21	ZINC000005823100	HJ	Annotated	Clean	
C=CC/C=C\Cc1csc(C(C)(C)[C@@H](O)C/C=C\C(=C)CCNC(=O)OC)n1	ZINC000005832326	HJ	Annotated	Mild	
CCN1c2ncc(CN(C)c3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21	ZINC000005841378	HJ	Annotated	Anodyne	
CCN1c2ncc(CSc3ccncc3)cc2C(=O)N(C)c2ccc(Cl)nc21	ZINC000005841436	HJ	Annotated	Anodyne	
C(CCCCc1nnc(N2CCCCC2)o1)CCCc1nnc(N2CCCCC2)o1	ZINC000005841606	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1N=C2c3ccccc3CCC[C@H]2[C@@H]1c1ccccc1	ZINC000005843820	HJ	Annotated	Anodyne	 
COc1ccc(Sc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc1OC	ZINC000005854367	HJ	Annotated	Anodyne	
COc1ccc([C@H](CC2(c3ccc(OC)cc3)SCCCS2)NC(C)=O)cc1	ZINC000005856203	HJ	Annotated	Anodyne	
COc1ccc([C@@H](CC2(c3ccc(OC)cc3)SCCCS2)NC(C)=O)cc1	ZINC000005856338	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@](C#N)(Cc1ccccc1)N(C(=O)c1ccccc1)C=C2	ZINC000005884582	HJ	Annotated	Mild	
CC(C)(C)NC(=O)c1ccccc1CSc1c(O)cc(-c2ccccc2)oc1=O	ZINC000005885578	HJ	Annotated	Anodyne	
N#Cc1cc2c(nc1SCC(=O)Nc1cnc3ccccc3c1)CCCCCC2	ZINC000005900209	HJ	Annotated	Mild	 
N#Cc1ccc(Nc2nc(N)nc(Cc3c(Cl)cc(Cl)cc3Cl)n2)cc1	ZINC000005933181	HJ	Annotated	Mild	
N#Cc1ccc(Nc2nc(N)nc(Oc3c(Cl)cc(Cl)cc3Cl)n2)cc1	ZINC000005933184	HJ	Annotated	Mild	
O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccccc1C(F)(F)F)CCCC3	ZINC000005938975	HJ	Annotated	Anodyne	 
OCC/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1	ZINC000005939118	HJ	Annotated	Bother	
O=[N+]([O-])c1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c(Cl)c1	ZINC000005954790	HJ	Annotated	Bother	
Cc1ccc(S(=O)(=O)N/N=C2\CCCCCCCCCC[C@@H]2CN(C)C)cc1	ZINC000005955411	HJ	Annotated	Mild	
Cc1ccc(S(=O)(=O)N/N=C2\CCCCCCCCCC[C@H]2CN(C)C)cc1	ZINC000005955414	HJ	Annotated	Mild	
CC1=NN(c2cccc(Cl)c2)[C@]2(C1)SCC(=O)N2c1nc2ccccc2s1	ZINC000005964595	HJ	Annotated	Anodyne	
CC1=NN(c2ccccc2Cl)[C@]2(C1)SCC(=O)N2c1nc2ccccc2s1	ZINC000005964596	HJ	Annotated	Anodyne	
CC1=NN(c2cccc(Cl)c2)[C@@]2(C1)SCC(=O)N2c1nc2ccccc2s1	ZINC000005964600	HJ	Annotated	Anodyne	
CC1=NN(c2ccccc2Cl)[C@@]2(C1)SCC(=O)N2c1nc2ccccc2s1	ZINC000005964601	HJ	Annotated	Anodyne	
CCCCC[C@@H]1OC(=O)[C@@]2(CC3c4ccccc4C2c2ccccc23)[C@H]1C(=O)OC	ZINC000005973366	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)c1c(-c2nc3c([nH]2)CCCC3)[nH]c2ccc(Cl)cc12	ZINC000005974647	HJ	Annotated	Anodyne	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@@]2(C)[C@@H]3C[C@H]3CC(C)=CC(=O)[C@H]32)C1	ZINC000005977664	HJ	Annotated	Anodyne	 
O=S1(=O)N=C(SCc2c[nH]c3ccccc23)N(c2ccccc2)c2ccncc21	ZINC000005983995	HJ	Annotated	Anodyne	
C1=C(c2ccc3c(c2)CN(Cc2cccn2-c2ncccn2)CCO3)Cc2ccccc21	ZINC000055154204	HJ	Annotated	Anodyne	 
Oc1ccccc1C1=N[C@H](c2ccc(Br)cc2)N[C@H](c2cccnc2)C1	ZINC000058015050	HJ	Annotated	Anodyne	 
Oc1ccccc1C1=N[C@@H](c2ccc(Br)cc2)N[C@H](c2cccnc2)C1	ZINC000058015052	HJ	Annotated	Anodyne	 
Oc1ccccc1C1=N[C@H](c2ccc(Br)cc2)N[C@@H](c2cccnc2)C1	ZINC000058015054	HJ	Annotated	Anodyne	 
Oc1ccccc1C1=N[C@@H](c2ccc(Br)cc2)N[C@@H](c2cccnc2)C1	ZINC000058015058	HJ	Annotated	Anodyne	 
COc1cccc([C@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]3CCCN32)c1OC	ZINC000058046466	HJ	Annotated	Anodyne	 
COc1cccc([C@@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]3CCCN23)c1OC	ZINC000058046467	HJ	Annotated	Anodyne	 
COc1ccc(Br)cc1[C@H]1N(c2ccc(Cl)cc2)C(=O)[C@H]2CCCN21	ZINC000058047507	HJ	Annotated	Anodyne	 
COc1ccc(Br)cc1[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@H]2CCCN12	ZINC000058047512	HJ	Annotated	Anodyne	 
CN(C)C12CCN(CCN3CCCC3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2	ZINC000058480529	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(-c2ccc(Cl)cc2)nn1C/C(=N/O)c1ccc(Cl)cc1	ZINC000058487463	HJ	Annotated	Mild	
Cc1cccc(O/N=C/c2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2)c1	ZINC000058494408	HJ	Annotated	Mild	
Clc1cc(Cl)cc(CN[C@H]2CCCN(c3nc4ccc(Cl)nc4[nH]3)C2)c1	ZINC000584905777	HJ	Annotated	Anodyne	
C[C@]12C=CC(=O)C(OC(=O)c3ccccc3)=C1C=C[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12	ZINC000058503083	HJ	Annotated	Anodyne	 
N#Cc1c(Oc2ccccc2)c(Cl)c2nc(N)nc(N)c2c1Oc1ccccc1	ZINC000058538005	HJ	Annotated	Mild	
C[n+]1c(-c2ccccc2)nn(Cc2ccc(Br)cc2)c1-c1ccccc1	ZINC000058538331	HJ	Annotated	Anodyne	
CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)OC[C@@H](C)[C@H]4OCC)O[C@@H](C)CC3=O	ZINC000058538549	HJ	Annotated	Anodyne	
COC(=O)[C@@H]1[C@@H](C)Sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21	ZINC000058541549	HJ	Annotated	Anodyne	
Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)n2cc(C(C)(C)C)nc2c1C#N	ZINC000058548280	HJ	Annotated	Mild	
COc1ccc(C2(c3nc4c(C(F)(F)F)cccc4c(C(=O)O)c3O)CC2)cc1	ZINC000058563824	HJ	Annotated	Anodyne	
CCN(CC)CCNc1c(-c2ccccc2)c(C)c(C#N)c2nc(C(C)(C)C)nn12	ZINC000058568387	HJ	Annotated	Mild	
CCCCC[C@H](O)C#CC#CCCCCCCCCCC[C@H]1C[C@@H](CO)OC1=O	ZINC000058569350	HJ	Annotated	Mild	
N#Cc1cccc([C@H](O)[C@@H]2CN(CCC3CCCCC3)CC[C@]2(O)c2ccccc2)c1	ZINC000058570530	HJ	Annotated	Anodyne	 
N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@H]1c1ccc(Br)cc1	ZINC000058575648	HJ	Annotated	Reactive	
COc1ccc2c(C3(c4c[nH]c5cc(OC)ccc45)C(=O)Nc4ccccc43)c[nH]c2c1	ZINC000058575832	HJ	Annotated	Anodyne	
Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)n2nc(C(C)(C)C)cc2c1C#N	ZINC000058576349	HJ	Annotated	Mild	
N=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1cccc(C(=N)NC[C@@H]2C[C@@H]2c2ccccc2)n1	ZINC000058576736	HJ	Annotated	Anodyne	
COc1cccc(C(=O)[C@@H]2C[C@@H]2CN(C)CC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1	ZINC000058576766	HJ	Annotated	Anodyne	
CCOC(=O)c1cn(CC)c2cc(F)c(O[C@@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)cc2c1=O	ZINC000058576795	HJ	Annotated	Anodyne	
COc1cc(-c2cc3cc(C)cc(Br)c3oc2=O)cc(OC)c1OC	ZINC000058581950	HJ	Annotated	Anodyne	
CC(C)C[C@@H](CC(=O)NCc1cccc(F)c1)n1c(N)nc2cc(Cl)ccc21	ZINC000058582998	HJ	Annotated	Anodyne	
N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@H]1c1cccc(Br)c1	ZINC000058583060	HJ	Annotated	Reactive	
CC[C@@H](CC(=O)NC1C2CC3CC(C2)CC1C3)n1c(N)nc2cc(Cl)ccc21	ZINC000058583445	HJ	Annotated	Anodyne	
CN(C)C12C[C@H](NCN3CCCC3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2	ZINC000058584046	HJ	Annotated	Anodyne	
CN(C)C12C[C@H](NCCN3CCCC3)C([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2	ZINC000058590513	HJ	Annotated	Anodyne	
CNC(=O)c1cc2c(C)c(C)n(Cc3ccccc3)c2c(OCc2ccc(F)cc2)n1	ZINC000058591500	HJ	Annotated	Anodyne	
COc1cccc2[nH]cc(C3(c4c[nH]c5cccc(OC)c45)C(=O)Nc4ccccc43)c12	ZINC000058591992	HJ	Annotated	Anodyne	
CCCCC/C=C\C#CC#CCCCCC[C@@H]1O[C@](C)(OC)[C@@](C)(OC)OC1=O	ZINC000058602589	HJ	Annotated	Mild	
CCCCC#CC#C/C=C/CCCCCC[C@@H]1O[C@](C)(OC)[C@@](C)(OC)OC1=O	ZINC000058602722	HJ	Annotated	Mild	
CCc1nccn1CCCOc1ccc(-c2cccc(C#N)n2)cc1C(F)(F)F	ZINC000058602839	HJ	Annotated	Mild	
O=C(NCCCc1ccncc1)N(CCC1CCCCC1)CCN1C2CCC1CC2	ZINC000058602906	HJ	Annotated	Anodyne	
O=C(NCCCc1ccncc1)N(CCC1CCCCC1)CCC1CCOCC1	ZINC000058603162	HJ	Annotated	Anodyne	
COc1cc2c(cc1C)N(C)C(=O)/C2=C/c1c(Cl)n(C)c2cc(C)c(OC)cc12	ZINC000058604063	HJ	Annotated	Clean	
O=C(Cn1c(-c2nccs2)nc2ccccc21)Nc1ccc(Br)cc1	ZINC000058632604	HJ	Annotated	Anodyne	
C[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1cc(Cl)ccc1N1CCCC[C@H]1C	ZINC000058640704	HJ	Annotated	Anodyne	 
CCN1[C@@H](C)CN(C(=O)c2cn3c4c(cccc24)OC[C@H]3C2CCCCC2)C[C@H]1C	ZINC000058651164	HJ	Annotated	Anodyne	
CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1cc(-c2cccc(N)c2)nc2ccc(OC)cc12	ZINC000058672644	HJ	Annotated	Anodyne	 
O=C1CCC(c2ccccc2)(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1	ZINC000586877762	HJ	Annotated	Clean	
COC(=O)c1ccc2nc(-c3cccc(-c4ccc(C(C)=O)cc4)c3)[nH]c2c1OC	ZINC000586878797	HJ	Annotated	Anodyne	
Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3nc(Br)c[nH]c-3n2)c1	ZINC000586879505	HJ	Annotated	Anodyne	
C#CCC1(c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)CCCCC1	ZINC000586880042	HJ	Annotated	Mild	
Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1	ZINC000586880616	HJ	Annotated	Bother	
CC(C)Oc1cc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2cc1Br	ZINC000586880725	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2cc1Br	ZINC000586880736	HJ	Annotated	Anodyne	
CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Cl)cc(Br)c2[nH]1	ZINC000586882127	HJ	Annotated	Anodyne	
CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000586882187	HJ	Annotated	Anodyne	
CCCOc1cc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2cc1Br	ZINC000586882334	HJ	Annotated	Anodyne	
CCCOc1cc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2cc1Br	ZINC000586882335	HJ	Annotated	Anodyne	
CCCOc1cc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2cc1Br	ZINC000586882431	HJ	Annotated	Anodyne	
CCCOc1cc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2cc1Br	ZINC000586882432	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2cc1Br	ZINC000586882447	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2cc1Br	ZINC000586882448	HJ	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(-c3ccccc3C(=O)c3cc(C)ccc3C)nc2cc1OC	ZINC000586882456	HJ	Annotated	Anodyne	
O=C(O)c1ccccc1/C=C/c1nc2c(Br)ccc(Br)c2[nH]1	ZINC000586882459	HJ	Annotated	Anodyne	
O=C(O)c1ccccc1/C=C\c1nc2c(Br)ccc(Br)c2[nH]1	ZINC000586882460	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c2c1OC	ZINC000586882489	HJ	Annotated	Anodyne	
O=C(O)c1ccccc1/C=C/c1nc2cc(Br)c(Br)cc2[nH]1	ZINC000586882516	HJ	Annotated	Anodyne	
O=C(O)c1ccccc1/C=C\c1nc2cc(Br)c(Br)cc2[nH]1	ZINC000586882517	HJ	Annotated	Anodyne	
CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000586882542	HJ	Annotated	Anodyne	
Brc1cnc(Br)c2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12	ZINC000586882726	HJ	Annotated	Anodyne	
Brc1cnc(Br)c2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12	ZINC000586882727	HJ	Annotated	Anodyne	
Brc1cnc(Br)c2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12	ZINC000586882728	HJ	Annotated	Anodyne	
Brc1cnc(Br)c2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12	ZINC000586882729	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1	ZINC000586882927	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1	ZINC000586882928	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1	ZINC000586882929	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1	ZINC000586882930	HJ	Annotated	Anodyne	
O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C3=CCCC3)[nH]c2c1	ZINC000586883425	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cc1Br	ZINC000586883587	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cc1Br	ZINC000586883589	HJ	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3c(Br)ccc(Br)c3[nH]1)C2	ZINC000586885381	HJ	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3c(Br)ccc(Br)c3[nH]1)C2	ZINC000586885395	HJ	Annotated	Anodyne	
Clc1ncc(I)c2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12	ZINC000586885524	HJ	Annotated	Anodyne	
Clc1ncc(I)c2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12	ZINC000586885525	HJ	Annotated	Anodyne	
Clc1ncc(I)c2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12	ZINC000586885526	HJ	Annotated	Anodyne	
Clc1ncc(I)c2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12	ZINC000586885527	HJ	Annotated	Anodyne	
COc1ccc(-c2nnc(-c3ccc4nc([C@H]5CCCC(=O)CC5)[nH]c4c3)o2)cc1	ZINC000586885652	HJ	Annotated	Anodyne	
COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5CCCC(=O)CC5)[nH]c4c3)o2)cc1	ZINC000586885657	HJ	Annotated	Anodyne	
Brc1cnc(Br)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc12	ZINC000586885888	HJ	Annotated	Anodyne	
Brc1cnc(Br)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc12	ZINC000586885894	HJ	Annotated	Anodyne	
Brc1cnc(Br)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc12	ZINC000586885899	HJ	Annotated	Anodyne	
Brc1cnc(Br)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc12	ZINC000586885903	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1	ZINC000586886259	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1	ZINC000586886264	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1	ZINC000586886268	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1	ZINC000586886272	HJ	Annotated	Anodyne	
O=C1CCC[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CC1	ZINC000586886482	HJ	Annotated	Anodyne	
O=C1CCC[C@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CC1	ZINC000586886487	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c(F)c1Nc1ccccc1	ZINC000586886503	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c(F)c1Nc1ccccc1	ZINC000586886504	HJ	Annotated	Anodyne	
Clc1ncc(I)c2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12	ZINC000586886708	HJ	Annotated	Anodyne	
Clc1ncc(I)c2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12	ZINC000586886721	HJ	Annotated	Anodyne	
Clc1ncc(I)c2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12	ZINC000586886725	HJ	Annotated	Anodyne	
Clc1ncc(I)c2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12	ZINC000586886728	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc([C@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3c2)cc1	ZINC000586886786	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3c2)cc1	ZINC000586886798	HJ	Annotated	Anodyne	
O=C1CCC[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CC1	ZINC000586887982	HJ	Annotated	Anodyne	
O=C1CCC[C@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CC1	ZINC000586887984	HJ	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(Br)c(Br)cc3[nH]1)C2	ZINC000586888040	HJ	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(Br)c(Br)cc3[nH]1)C2	ZINC000586888043	HJ	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(Br)cc(OC(F)(F)F)c3[nH]1)C2	ZINC000586888675	HJ	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(Br)cc(OC(F)(F)F)c3[nH]1)C2	ZINC000586888681	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@H](O)[C@@H](C)c3ccc(C)cc3)nc2c1	ZINC000586888726	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@H](O)[C@H](C)c3ccc(C)cc3)nc2c1	ZINC000586888730	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H](O)[C@@H](C)c3ccc(C)cc3)nc2c1	ZINC000586888733	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H](O)[C@H](C)c3ccc(C)cc3)nc2c1	ZINC000586888736	HJ	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(OC(F)(F)F)cc(Br)c3[nH]1)C2	ZINC000586888989	HJ	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(OC(F)(F)F)cc(Br)c3[nH]1)C2	ZINC000586888993	HJ	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(OC(F)(F)F)c(Br)cc3[nH]1)C2	ZINC000586889037	HJ	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(OC(F)(F)F)c(Br)cc3[nH]1)C2	ZINC000586889039	HJ	Annotated	Anodyne	
CC(C)CCOc1cc2nc([C@H](O)c3cccc(O)c3)[nH]c2cc1Br	ZINC000586889844	HJ	Annotated	Anodyne	
CC(C)CCOc1cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2cc1Br	ZINC000586889849	HJ	Annotated	Anodyne	
CCCCCOc1cc2nc([C@H](O)c3cccc(O)c3)[nH]c2cc1Br	ZINC000586891260	HJ	Annotated	Anodyne	
CCCCCOc1cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2cc1Br	ZINC000586891266	HJ	Annotated	Anodyne	
OCCCCCCCCCCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	ZINC000586894434	HJ	Annotated	Anodyne	
CCN(CC)S(=O)(=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1	ZINC000586894579	HJ	Annotated	Anodyne	
OCCCCCCCCCCCc1nc2cc(I)cnc2[nH]1	ZINC000586894816	HJ	Annotated	Anodyne	
O=S(=O)(c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1)C(F)(F)F	ZINC000586894908	HJ	Annotated	Anodyne	
OCc1ccccc1-c1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1	ZINC000586894926	HJ	Annotated	Anodyne	
O=C(O)c1cc(Br)cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12	ZINC000586894985	HJ	Annotated	Anodyne	
OCC12CCC(c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)(CC1)CC2	ZINC000586895237	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c(F)c1Nc1ccccc1	ZINC000586895243	HJ	Annotated	Anodyne	
OCC12CCC(c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)(CC1)CC2	ZINC000586895432	HJ	Annotated	Anodyne	
OCC12CCC(c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)(CC1)CC2	ZINC000586895625	HJ	Annotated	Anodyne	
OCC12CCC(c3nc4cc(Br)c(Br)cc4[nH]3)(CC1)CC2	ZINC000586895642	HJ	Annotated	Anodyne	
OCC12CCC(c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)(CC1)CC2	ZINC000586895663	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc(C34CCC(CO)(CC3)CC4)[nH]c2cc1Br	ZINC000586895686	HJ	Annotated	Anodyne	
OCC12CCC(c3nc4c(Br)ccc(Br)c4[nH]3)(CC1)CC2	ZINC000586895702	HJ	Annotated	Anodyne	
OCC12CCC(c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)(CC1)CC2	ZINC000586895707	HJ	Annotated	Anodyne	
OCC12CCC(c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)(CC1)CC2	ZINC000586895713	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc(C45CCC(CO)(CC4)CC5)[nH]c3c2)cc1	ZINC000586895749	HJ	Annotated	Anodyne	
OCC12CCC(c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)(CC1)CC2	ZINC000586895797	HJ	Annotated	Anodyne	
Oc1ccc(C2(c3nc4c(Br)ccc(Br)c4[nH]3)CC2)cc1	ZINC000586896032	HJ	Annotated	Anodyne	
Oc1nc(NCc2ccccc2)c2nc(-c3cccc(-c4ccccc4)c3O)nc-2[nH]1	ZINC000586896116	HJ	Annotated	Anodyne	
CC1=C(c2ccc3nc(-c4cc(C(C)C)cc(C(C)C)c4O)[nH]c3c2)NNC(=O)C1	ZINC000586896173	HJ	Annotated	Anodyne	
Oc1ccc(C2(c3nc4cc(Br)c(Br)cc4[nH]3)CC2)cc1	ZINC000586896268	HJ	Annotated	Anodyne	
Oc1cccc(CCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1	ZINC000586896344	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(CCCCc3cccc(O)c3)nc2c1	ZINC000586896443	HJ	Annotated	Anodyne	
Oc1ccccc1C1(c2nc3cc(Br)c(Br)cc3[nH]2)CC1	ZINC000586896674	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc(C4(c5ccccc5O)CC4)[nH]c3c2)cc1	ZINC000586896943	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(CCc3cccc(O)c3)[nH]c2c(F)c1Nc1ccccc1	ZINC000586897094	HJ	Annotated	Anodyne	
Oc1ccccc1C1(c2nc3c(Br)ccc(Br)c3[nH]2)CC1	ZINC000586897128	HJ	Annotated	Anodyne	
Oc1cccc(CCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1	ZINC000586897204	HJ	Annotated	Anodyne	
Oc1cccc(CCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1	ZINC000586897255	HJ	Annotated	Anodyne	
Oc1ccc(-c2cccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)cc1	ZINC000586897428	HJ	Annotated	Anodyne	
O[C@H]1CC[C@@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC1	ZINC000586897660	HJ	Annotated	Anodyne	
Oc1c(-c2nc3c(Br)cnc(Br)c3[nH]2)ccc2c1CCCC2	ZINC000586898085	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc4c(c3O)CCCC4)nc2c1	ZINC000586898199	HJ	Annotated	Anodyne	
Oc1ccc(-c2ccccc2-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1	ZINC000586899018	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc(C4(c5ccc(O)cc5)CC4)[nH]c3c2)cc1	ZINC000586899047	HJ	Annotated	Anodyne	
Oc1ccc(-c2ccccc2-c2nc3cc(I)cnc3[nH]2)cc1	ZINC000586899053	HJ	Annotated	Anodyne	
O[C@@H]1C[C@@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c2ccccc21	ZINC000586900135	HJ	Annotated	Anodyne	
O[C@H]1C[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c2ccccc21	ZINC000586900136	HJ	Annotated	Anodyne	
O[C@H]1C[C@@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c2ccccc21	ZINC000586900137	HJ	Annotated	Anodyne	
O[C@@H]1C[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c2ccccc21	ZINC000586900139	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c(F)c1Nc1ccccc1	ZINC000586900270	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c(F)c1Nc1ccccc1	ZINC000586900271	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c(F)c1Nc1ccccc1	ZINC000586900272	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c(F)c1Nc1ccccc1	ZINC000586900273	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc2cc1Br	ZINC000586900364	HJ	Annotated	Anodyne	
O=Cc1ccc(OCc2occc2-c2nc3c(F)cnc(Br)c3[nH]2)cc1	ZINC000586900508	HJ	Annotated	Anodyne	
O=Cc1ccc(OCc2occc2-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1	ZINC000586900815	HJ	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc2c1	ZINC000586900840	HJ	Annotated	Mild	
COC(=O)c1cc(Cl)c2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc2c1	ZINC000586900938	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc2c1	ZINC000586900948	HJ	Annotated	Mild	
O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3coc(C#Cc4ccccc4)c3)[nH]c21	ZINC000586900998	HJ	Annotated	Mild	
O=[N+]([O-])c1cc(Br)cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c12	ZINC000586901028	HJ	Annotated	Mild	
O=Cc1ccc(OCc2occc2-c2nc3ccc(Br)c(O)c3[nH]2)cc1	ZINC000586901160	HJ	Annotated	Anodyne	
O=Cc1ccc(OCc2occc2-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1	ZINC000586901259	HJ	Annotated	Anodyne	
Ic1cccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c12	ZINC000586901327	HJ	Annotated	Mild	
Ic1ccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2c1	ZINC000586901587	HJ	Annotated	Mild	
Cc1c(Br)cnc2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc12	ZINC000586901781	HJ	Annotated	Anodyne	
COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccoc3C3CC3)[nH]c2c1	ZINC000586901905	HJ	Annotated	Anodyne	
O=[N+]([O-])c1c(Br)ccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c12	ZINC000586902042	HJ	Annotated	Mild	
CCOCc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)o1	ZINC000586902126	HJ	Annotated	Anodyne	
Cc1ccc(-c2ccc(-c3nc4ncc(I)cc4[nH]3)cc2)o1	ZINC000586902157	HJ	Annotated	Anodyne	
COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccoc4C4CC4)[nH]c3c2)cc1	ZINC000586902284	HJ	Annotated	Anodyne	
O=C(O)c1cc(Br)cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c12	ZINC000586902447	HJ	Annotated	Mild	
Clc1ncc(I)c2nc(CCc3cc4ccccc4o3)[nH]c12	ZINC000586902612	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@@H](O)c5ccccc54)[nH]c3c2)cc1	ZINC000586903441	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@H](O)c5ccccc54)[nH]c3c2)cc1	ZINC000586903442	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc([C@H]4C[C@@H](O)c5ccccc54)[nH]c3c2)cc1	ZINC000586903443	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc([C@H]4C[C@H](O)c5ccccc54)[nH]c3c2)cc1	ZINC000586903444	HJ	Annotated	Anodyne	
O[C@H]1C[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)c2ccccc21	ZINC000586903492	HJ	Annotated	Anodyne	
O[C@@H]1C[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)c2ccccc21	ZINC000586903493	HJ	Annotated	Anodyne	
O[C@H]1C[C@@H](c2nc3c(Br)ccc(Br)c3[nH]2)c2ccccc21	ZINC000586903494	HJ	Annotated	Anodyne	
O[C@@H]1C[C@@H](c2nc3c(Br)ccc(Br)c3[nH]2)c2ccccc21	ZINC000586903495	HJ	Annotated	Anodyne	
COc1ccc(C=O)c2cc(-c3nc4c(F)c(F)c(Br)cc4[nH]3)oc12	ZINC000586903711	HJ	Annotated	Anodyne	
COc1ccc(C=O)c2cc(-c3nc4c5c(ccc4[nH]3)C(=O)c3ccccc3C5=O)oc12	ZINC000586903796	HJ	Annotated	Clean	
CC(C)COc1cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Br	ZINC000586903833	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Br	ZINC000586903834	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Br	ZINC000586903835	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Br	ZINC000586903836	HJ	Annotated	Anodyne	
CCOCc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)o1	ZINC000586904049	HJ	Annotated	Anodyne	
COc1ccc(C=O)c2cc(-c3nc4cnc(C(F)(F)C(F)(F)F)cc4[nH]3)oc12	ZINC000586904154	HJ	Annotated	Anodyne	
COc1ccc(C=O)c2cc(-c3nc4c(Cl)ncc(Br)c4[nH]3)oc12	ZINC000586904186	HJ	Annotated	Anodyne	
O[C@H]1C[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c2ccccc21	ZINC000586904324	HJ	Annotated	Anodyne	
O[C@@H]1C[C@@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c2ccccc21	ZINC000586904325	HJ	Annotated	Anodyne	
O[C@@H]1C[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c2ccccc21	ZINC000586904326	HJ	Annotated	Anodyne	
O[C@H]1C[C@@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c2ccccc21	ZINC000586904327	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(-c3c(C)oc4c3C(=O)CCC4)nc2c1	ZINC000586904421	HJ	Annotated	Anodyne	
O[C@H]1C[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c2ccccc21	ZINC000586904433	HJ	Annotated	Anodyne	
O[C@@H]1C[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c2ccccc21	ZINC000586904434	HJ	Annotated	Anodyne	
O[C@@H]1C[C@@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c2ccccc21	ZINC000586904435	HJ	Annotated	Anodyne	
O[C@H]1C[C@@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c2ccccc21	ZINC000586904436	HJ	Annotated	Anodyne	
COc1ccc(C=O)c2cc(-c3nc4ncc(Br)c(Cl)c4[nH]3)oc12	ZINC000586904577	HJ	Annotated	Anodyne	
O[C@H]1C[C@@H](c2nc3cc(Br)c(Br)cc3[nH]2)c2ccccc21	ZINC000586904981	HJ	Annotated	Anodyne	
O[C@H]1C[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)c2ccccc21	ZINC000586904983	HJ	Annotated	Anodyne	
O[C@@H]1C[C@@H](c2nc3cc(Br)c(Br)cc3[nH]2)c2ccccc21	ZINC000586904985	HJ	Annotated	Anodyne	
O[C@@H]1C[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)c2ccccc21	ZINC000586904986	HJ	Annotated	Anodyne	
COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@@H](O)c6ccccc65)[nH]c4c3)o2)cc1	ZINC000586905039	HJ	Annotated	Anodyne	
COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@H](O)c6ccccc65)[nH]c4c3)o2)cc1	ZINC000586905040	HJ	Annotated	Anodyne	
COc1ccc(-c2nnc(-c3ccc4nc([C@H]5C[C@@H](O)c6ccccc65)[nH]c4c3)o2)cc1	ZINC000586905041	HJ	Annotated	Anodyne	
COc1ccc(-c2nnc(-c3ccc4nc([C@H]5C[C@H](O)c6ccccc65)[nH]c4c3)o2)cc1	ZINC000586905043	HJ	Annotated	Anodyne	
CCCOc1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cc1Br	ZINC000586906268	HJ	Annotated	Anodyne	
CCCOc1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2cc1Br	ZINC000586906269	HJ	Annotated	Anodyne	
O=C1c2ccoc2CC[C@@H]1Cc1nc2c(Br)ccc(Br)c2[nH]1	ZINC000586906304	HJ	Annotated	Anodyne	
O=C1c2ccoc2CC[C@H]1Cc1nc2c(Br)ccc(Br)c2[nH]1	ZINC000586906305	HJ	Annotated	Anodyne	
CC1(C)OC(=O)C[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1	ZINC000586906403	HJ	Annotated	Anodyne	
CC1(C)OC(=O)C[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1	ZINC000586906404	HJ	Annotated	Anodyne	
O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1	ZINC000586906426	HJ	Annotated	Anodyne	
O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1	ZINC000586906427	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cc1Br	ZINC000586907039	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2cc1Br	ZINC000586907044	HJ	Annotated	Anodyne	
FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CC3OCCO3)nc2c1	ZINC000586907522	HJ	Annotated	Reactive	
Oc1cccc2c1OCC(c1nc3c(C(F)(F)F)c(Br)ccc3[nH]1)=C2	ZINC000586907726	HJ	Annotated	Anodyne	
CC(C)COc1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1Br	ZINC000586907747	HJ	Annotated	Anodyne	
Oc1cccc2c1OCC(c1nc3cc(Br)c(Br)cc3[nH]1)=C2	ZINC000586907861	HJ	Annotated	Anodyne	
Oc1cccc2c1OCC(c1nc3c(C(F)(F)F)cc(Br)cc3[nH]1)=C2	ZINC000586907898	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc12	ZINC000586908289	HJ	Annotated	Mild	
Cc1c(Br)cnc2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc12	ZINC000586908290	HJ	Annotated	Mild	
Oc1cccc2c1OCC(c1nc3cc(Br)c(C(F)(F)F)cc3[nH]1)=C2	ZINC000586908293	HJ	Annotated	Anodyne	
CCCCCCCCOc1cc2nc(CC3OCCO3)[nH]c2cc1Br	ZINC000586908346	HJ	Annotated	Mild	
O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1	ZINC000586908511	HJ	Annotated	Anodyne	
O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1	ZINC000586908512	HJ	Annotated	Anodyne	
O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1	ZINC000586908597	HJ	Annotated	Anodyne	
O=C1c2ccoc2CC[C@H]1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1	ZINC000586908600	HJ	Annotated	Anodyne	
Fc1cc2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2cc1-n1cccn1	ZINC000586908637	HJ	Annotated	Mild	
Oc1cccc2c1OCC(c1nc3c(Br)ccc(Br)c3[nH]1)=C2	ZINC000586908644	HJ	Annotated	Anodyne	
Fc1cc2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2cc1-n1cccn1	ZINC000586908645	HJ	Annotated	Mild	
O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Br)c(Br)cc2[nH]1	ZINC000586908659	HJ	Annotated	Anodyne	
O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Br)c(Br)cc2[nH]1	ZINC000586908661	HJ	Annotated	Anodyne	
O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1	ZINC000586909126	HJ	Annotated	Anodyne	
O=C1c2ccoc2CC[C@H]1Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1	ZINC000586909127	HJ	Annotated	Anodyne	
CC(C)Oc1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1Br	ZINC000586909250	HJ	Annotated	Anodyne	
O=C1OC(=O)c2cc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)ccc21	ZINC000586909327	HJ	Annotated	Reactive	
Cc1nc2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2cc1Br	ZINC000586909343	HJ	Annotated	Mild	
Cc1nc2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2cc1Br	ZINC000586909344	HJ	Annotated	Mild	
Oc1cccc2c1OCC(c1nc3c(Br)cc(C(F)(F)F)cc3[nH]1)=C2	ZINC000586909456	HJ	Annotated	Anodyne	
CCCOc1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1Br	ZINC000586909482	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cc1Br	ZINC000586909548	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2cc1Br	ZINC000586909549	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc(C[C@@H]4CCc5occc5C4=O)[nH]c3c2)cc1	ZINC000586909565	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc(C[C@H]4CCc5occc5C4=O)[nH]c3c2)cc1	ZINC000586909566	HJ	Annotated	Anodyne	
FC1(F)Oc2cc3nc(CCCCCC#CCO[C@@H]4CCCCO4)[nH]c3cc2O1	ZINC000586909636	HJ	Annotated	Mild	
FC1(F)Oc2cc3nc(CCCCCC#CCO[C@H]4CCCCO4)[nH]c3cc2O1	ZINC000586909641	HJ	Annotated	Mild	
Brc1cccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12	ZINC000586909873	HJ	Annotated	Mild	
Brc1cccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12	ZINC000586909880	HJ	Annotated	Mild	
FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C[C@@H]3COCCO3)nc2c1	ZINC000586910088	HJ	Annotated	Reactive	
FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C[C@H]3COCCO3)nc2c1	ZINC000586910089	HJ	Annotated	Reactive	
Fc1cnc(Br)c2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc12	ZINC000586910440	HJ	Annotated	Mild	
Fc1cnc(Br)c2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc12	ZINC000586910447	HJ	Annotated	Mild	
Brc1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1	ZINC000586910617	HJ	Annotated	Mild	
Brc1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1	ZINC000586910618	HJ	Annotated	Mild	
O=[N+]([O-])c1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2cc1Cl	ZINC000586910646	HJ	Annotated	Mild	
O=[N+]([O-])c1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2cc1Cl	ZINC000586910649	HJ	Annotated	Mild	
Oc1c(Br)ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12	ZINC000586911042	HJ	Annotated	Mild	
Oc1c(Br)ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12	ZINC000586911043	HJ	Annotated	Mild	
COC(=O)c1cc(Cl)c2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2c1	ZINC000586911108	HJ	Annotated	Mild	
COC(=O)c1cc(Cl)c2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2c1	ZINC000586911113	HJ	Annotated	Mild	
CC1(C)COc2c(-c3nc4c(Br)cnc(Br)c4[nH]3)cccc21	ZINC000586911715	HJ	Annotated	Anodyne	
Oc1ccc(C2(c3nc4cc(Br)cc(Cl)c4[nH]3)CCOCC2)cc1	ZINC000586912030	HJ	Annotated	Anodyne	
Oc1ccc(C2(c3nc4cc(Cl)cc(Br)c4[nH]3)CCOCC2)cc1	ZINC000586912159	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc4c3OCC4(C)C)nc2c1	ZINC000586912473	HJ	Annotated	Anodyne	
OC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCOCC1	ZINC000586912866	HJ	Annotated	Reactive	
CC[C@@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1	ZINC000586912976	HJ	Annotated	Anodyne	
CC[C@@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1	ZINC000586912979	HJ	Annotated	Anodyne	
CC[C@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1	ZINC000586912982	HJ	Annotated	Anodyne	
CC[C@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1	ZINC000586912983	HJ	Annotated	Anodyne	
Oc1ccc(C2(c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)CCOCC2)cc1	ZINC000586913082	HJ	Annotated	Anodyne	
Nc1ccc(Oc2ccc3nc(C4(c5ccc(O)cc5)CCOCC4)[nH]c3c2)cc1	ZINC000586913453	HJ	Annotated	Clean	
Oc1ccc(C2(c3nc4cccc(OCc5ccccc5)c4[nH]3)CCOCC2)cc1	ZINC000586913532	HJ	Annotated	Anodyne	
CC[C@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1	ZINC000586913648	HJ	Annotated	Anodyne	
CC[C@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1	ZINC000586913649	HJ	Annotated	Anodyne	
CC[C@@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1	ZINC000586913651	HJ	Annotated	Anodyne	
CC[C@@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1	ZINC000586913654	HJ	Annotated	Anodyne	
Cc1c(Br)cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1C	ZINC000586914044	HJ	Annotated	Anodyne	
CC[C@H]1OCCC[C@@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1	ZINC000586914890	HJ	Annotated	Anodyne	
CC[C@@H]1OCCC[C@@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1	ZINC000586914891	HJ	Annotated	Anodyne	
CC[C@@H]1OCCC[C@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1	ZINC000586914892	HJ	Annotated	Anodyne	
CC[C@H]1OCCC[C@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1	ZINC000586914893	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000586915160	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000586915161	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000586915163	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000586915165	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc2c1	ZINC000586915184	HJ	Annotated	Anodyne	
Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1	ZINC000586915205	HJ	Annotated	Anodyne	
Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1	ZINC000586915369	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000586915449	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000586915450	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000586915451	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000586915452	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000586915535	HJ	Annotated	Bother	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000586915536	HJ	Annotated	Bother	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000586915537	HJ	Annotated	Bother	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000586915538	HJ	Annotated	Bother	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Br)cc(F)c2[nH]1	ZINC000586915805	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Br)cc(F)c2[nH]1	ZINC000586915807	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Br)cc(F)c2[nH]1	ZINC000586915808	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Br)cc(F)c2[nH]1	ZINC000586915809	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000586915863	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000586915866	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000586915868	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000586915870	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(F)cc(Br)c2[nH]1	ZINC000586916199	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(F)cc(Br)c2[nH]1	ZINC000586916201	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(F)cc(Br)c2[nH]1	ZINC000586916202	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(F)cc(Br)c2[nH]1	ZINC000586916205	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(Br)c(F)c2[nH]1	ZINC000586916417	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(Br)c(F)c2[nH]1	ZINC000586916418	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(Br)c(F)c2[nH]1	ZINC000586916420	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(Br)c(F)c2[nH]1	ZINC000586916422	HJ	Annotated	Anodyne	
Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1	ZINC000586916454	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cc1Cl	ZINC000586916492	HJ	Annotated	Bother	
O=c1ccc2cc(-c3nc4cc(Br)c(Br)cc4[nH]3)ccc2o1	ZINC000586916697	HJ	Annotated	Anodyne	
O=c1ccc2cc(-c3nc4c(Br)ccc(Br)c4[nH]3)ccc2o1	ZINC000586916698	HJ	Annotated	Anodyne	
C[C@H]1CCO[C@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)C1	ZINC000586916726	HJ	Annotated	Anodyne	
COc1cncc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c12	ZINC000586916984	HJ	Annotated	Anodyne	
C[C@H]1CCO[C@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C1	ZINC000586917071	HJ	Annotated	Anodyne	
CC(C)=CCOc1ccc2c(C)c(Cc3nc4cncc(C)c4[nH]3)c(=O)oc2c1C	ZINC000586917072	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Br)c(F)cc2[nH]1	ZINC000586917257	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Br)c(F)cc2[nH]1	ZINC000586917258	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Br)c(F)cc2[nH]1	ZINC000586917259	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Br)c(F)cc2[nH]1	ZINC000586917260	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cc1Br	ZINC000586917321	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	ZINC000586917361	HJ	Annotated	Anodyne	
CCCCc1cc(=O)oc2cc(OCc3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)ccc12	ZINC000586917375	HJ	Annotated	Bother	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	ZINC000586917495	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	ZINC000586917497	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	ZINC000586917499	HJ	Annotated	Anodyne	
COc1ccc2c(C)c(CCc3nc4ccc(OC(C)C)cc4[nH]3)c(=O)oc2c1C	ZINC000586917503	HJ	Annotated	Anodyne	
COc1ccc2c(C)c(CCc3nc4cc(C#N)cc(Cl)c4[nH]3)c(=O)oc2c1C	ZINC000586917539	HJ	Annotated	Mild	
COc1ccc2c(C)c(CCc3nc4ccc5nc(C)ccc5c4[nH]3)c(=O)oc2c1C	ZINC000586917583	HJ	Annotated	Anodyne	
Brc1ccc(Br)c2[nH]c([C@@H]3COc4ccccc4O3)nc12	ZINC000586917637	HJ	Annotated	Anodyne	
COc1ccc2c(C)c(CCc3nc4cc(Cl)cc(F)c4[nH]3)c(=O)oc2c1C	ZINC000586917668	HJ	Annotated	Anodyne	
COc1ccc2c(C)c(CCc3nc4ccc5c(c4[nH]3)CCCC5)c(=O)oc2c1C	ZINC000586917684	HJ	Annotated	Anodyne	
COc1ccc2c(C)c(CCc3nc4cc(Cl)nc(Cl)c4[nH]3)c(=O)oc2c1C	ZINC000586917708	HJ	Annotated	Anodyne	
CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(F)cnc4[nH]3)c(=O)oc2c1C	ZINC000586917742	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(F)c(Br)c2[nH]1	ZINC000586917771	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(F)c(Br)c2[nH]1	ZINC000586917772	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(F)c(Br)c2[nH]1	ZINC000586917774	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(F)c(Br)c2[nH]1	ZINC000586917776	HJ	Annotated	Anodyne	
CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(O)cc4[nH]3)c(=O)oc2c1C	ZINC000586917797	HJ	Annotated	Anodyne	
CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(C)ccnc4[nH]3)c(=O)oc2c1C	ZINC000586917805	HJ	Annotated	Anodyne	
CC(C)=CCOc1ccc2c(C)c(Cc3nc4cccc(O)c4[nH]3)c(=O)oc2c1C	ZINC000586917823	HJ	Annotated	Anodyne	
CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C)cnc4[nH]3)c(=O)oc2c1C	ZINC000586917826	HJ	Annotated	Anodyne	
FC(F)(F)Oc1cc(Br)cc2nc([C@@H]3COc4ccccc4O3)[nH]c12	ZINC000586918000	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000586918019	HJ	Annotated	Bother	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000586918020	HJ	Annotated	Bother	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000586918022	HJ	Annotated	Bother	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000586918025	HJ	Annotated	Bother	
CCCCc1cc(=O)oc2cc(OCc3nc4cc5c(cc4[nH]3)OCCCO5)ccc12	ZINC000586918050	HJ	Annotated	Anodyne	
CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(CO)cc4[nH]3)c(=O)oc2c1C	ZINC000586918178	HJ	Annotated	Anodyne	
COc1ccc2c(C)c(CCc3nc4c(F)c(F)c(F)c(F)c4[nH]3)c(=O)oc2c1C	ZINC000586918236	HJ	Annotated	Anodyne	
CC(C)=CCOc1ccc2c(C)c(Cc3nc4nc(Cl)c[nH]c-4n3)c(=O)oc2c1C	ZINC000586918291	HJ	Annotated	Anodyne	
COc1ccc2c(C)c(CCc3nc4ccc(C(C)(C)C)nc4[nH]3)c(=O)oc2c1C	ZINC000586918613	HJ	Annotated	Anodyne	
COc1cc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2cn1	ZINC000586918742	HJ	Annotated	Anodyne	
CC(C)=CCOc1ccc2c(C)c(Cc3nc4cnc(Cl)[nH]c-4n3)c(=O)oc2c1C	ZINC000586918770	HJ	Annotated	Anodyne	
CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(C)nccc4[nH]3)c(=O)oc2c1C	ZINC000586918773	HJ	Annotated	Anodyne	
COc1ccc2c(C)c(CCc3nc4c(Cl)c(Cl)cnc4[nH]3)c(=O)oc2c1C	ZINC000586918777	HJ	Annotated	Anodyne	
FC(F)(F)Oc1cc(Br)c2[nH]c([C@@H]3COc4ccccc4O3)nc2c1	ZINC000586918832	HJ	Annotated	Anodyne	
COc1ccc2c(C)c(CCc3nc4cc(Cl)c(Cl)nc4[nH]3)c(=O)oc2c1C	ZINC000586918987	HJ	Annotated	Anodyne	
Brc1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cc1Br	ZINC000586918998	HJ	Annotated	Anodyne	
CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(C)nc4[nH]3)c(=O)oc2c1C	ZINC000586919003	HJ	Annotated	Anodyne	
COc1nccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c12	ZINC000586919007	HJ	Annotated	Anodyne	
FC(F)(F)Oc1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cc1Br	ZINC000586919011	HJ	Annotated	Anodyne	
CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(Cl)ncnc4[nH]3)c(=O)oc2c1C	ZINC000586919058	HJ	Annotated	Anodyne	
COc1cc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2cc1Cl	ZINC000586919059	HJ	Annotated	Anodyne	
COc1ccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2n1	ZINC000586919086	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2c(F)c1Nc1ccccc1	ZINC000586919187	HJ	Annotated	Anodyne	
COc1ccc2c(C)c(CCc3nc4cc(Cl)c(F)cc4[nH]3)c(=O)oc2c1C	ZINC000586919281	HJ	Annotated	Anodyne	
COc1ccc2c(C)c(CCc3nc4c(Cl)cnc(Cl)c4[nH]3)c(=O)oc2c1C	ZINC000586919294	HJ	Annotated	Anodyne	
CSc1sc(-c2nc3c(C)nc(C)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C	ZINC000586919565	HJ	Annotated	Anodyne	
CSc1sc(-c2nc3ccc(Cl)nc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C	ZINC000586919576	HJ	Annotated	Anodyne	
CSc1sc(-c2nc3cc(Cl)ncc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C	ZINC000586919582	HJ	Annotated	Anodyne	
CSc1sc(-c2nc3c(C)ccnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C	ZINC000586919584	HJ	Annotated	Anodyne	
CSc1sc(-c2nc3c(C)nccc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C	ZINC000586919621	HJ	Annotated	Anodyne	
CSc1sc(-c2nc3c(Cl)ccnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C	ZINC000586919695	HJ	Annotated	Anodyne	
COc1cccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c12	ZINC000586919917	HJ	Annotated	Anodyne	
CSc1sc(-c2nc3cc(C)cnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C	ZINC000586919957	HJ	Annotated	Anodyne	
CSc1sc(-c2nc3ccc(C)nc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C	ZINC000586919983	HJ	Annotated	Anodyne	
CSc1sc(-c2nc3cccc(F)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C	ZINC000586920125	HJ	Annotated	Anodyne	
CSc1sc(-c2nc3cccc(O)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C	ZINC000586920278	HJ	Annotated	Anodyne	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1	ZINC000586920327	HJ	Annotated	Bother	
CSc1sc(-c2nc3ccnc(Cl)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C	ZINC000586920398	HJ	Annotated	Anodyne	
CSc1sc(-c2nc3cc(Cl)cnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C	ZINC000586920419	HJ	Annotated	Anodyne	
CSc1sc(-c2nc3cccc(C#N)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C	ZINC000586920446	HJ	Annotated	Mild	
CSc1sc(-c2nc3ccc(C#N)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C	ZINC000586920701	HJ	Annotated	Mild	
CSc1sc(-c2nc3cncc(Cl)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C	ZINC000586920717	HJ	Annotated	Anodyne	
CSc1sc(-c2nc3cncc(C)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C	ZINC000586920748	HJ	Annotated	Anodyne	
O=S(=O)(Cc1ccccc1-c1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccccc1	ZINC000586920958	HJ	Annotated	Anodyne	
O=S(=O)(Cc1ccccc1-c1nc2cc(Cl)cc(F)c2[nH]1)c1ccccc1	ZINC000586921072	HJ	Annotated	Anodyne	
O=S(=O)(Cc1ccccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccccc1	ZINC000586921104	HJ	Annotated	Anodyne	
O=S(=O)(Cc1ccccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccccc1	ZINC000586921175	HJ	Annotated	Anodyne	
O=S(=O)(Cc1ccccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccccc1	ZINC000586921177	HJ	Annotated	Anodyne	
O=S(=O)(Cc1ccccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccccc1	ZINC000586921431	HJ	Annotated	Anodyne	
O=S(=O)(Cc1ccccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccccc1	ZINC000586922047	HJ	Annotated	Anodyne	
O=S(=O)(Cc1ccccc1-c1nc2cc(F)c(F)c(F)c2[nH]1)c1ccccc1	ZINC000586922244	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2n1	ZINC000586922309	HJ	Annotated	Anodyne	
O=S(=O)(Cc1ccccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccccc1	ZINC000586922538	HJ	Annotated	Anodyne	
CCS(=O)(=O)c1cccc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1	ZINC000586922604	HJ	Annotated	Anodyne	
CCS(=O)(=O)c1cccc(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)c1	ZINC000586922639	HJ	Annotated	Anodyne	
O=S(=O)(CCc1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccc2c(c1)CCC2	ZINC000586922681	HJ	Annotated	Anodyne	
N#Cc1cc(Cl)c2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc2c1	ZINC000586922737	HJ	Annotated	Mild	
CCS(=O)(=O)c1cccc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1	ZINC000586922862	HJ	Annotated	Anodyne	
O=S(=O)(/C=C\c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccccc1	ZINC000586924048	HJ	Annotated	Anodyne	
O=S(=O)(/C=C/c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccccc1	ZINC000586924049	HJ	Annotated	Anodyne	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Cl)c(F)cc2[nH]1	ZINC000586924354	HJ	Annotated	Unstable	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Cl)cc(F)c2[nH]1	ZINC000586924356	HJ	Annotated	Unstable	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc3nc(C)ccc3c2[nH]1	ZINC000586924609	HJ	Annotated	Unstable	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(Cl)c(C)c2[nH]1	ZINC000586924698	HJ	Annotated	Unstable	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C)c(Cl)cc2[nH]1	ZINC000586924840	HJ	Annotated	Unstable	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Cl)cc(C)c2[nH]1	ZINC000586924871	HJ	Annotated	Unstable	
O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3c(F)cnc(Cl)c3[nH]2)c1Cl	ZINC000586925048	HJ	Annotated	Unstable	
O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1Cl	ZINC000586925379	HJ	Annotated	Unstable	
Cc1cnc(Cl)c2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc12	ZINC000586925387	HJ	Annotated	Unstable	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(C(C)(C)C)nc2[nH]1	ZINC000586925418	HJ	Annotated	Unstable	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc3c(c2[nH]1)CCCC3	ZINC000586925462	HJ	Annotated	Unstable	
COc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1C	ZINC000586925581	HJ	Annotated	Unstable	
Cc1cc2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc2cc1[N+](=O)[O-]	ZINC000586925604	HJ	Annotated	Unstable	
CCCOc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1Br	ZINC000586925616	HJ	Annotated	Anodyne	
CCCOc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1Br	ZINC000586925617	HJ	Annotated	Anodyne	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1Cl	ZINC000586925672	HJ	Annotated	Unstable	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(OC(C)C)cc2[nH]1	ZINC000586925856	HJ	Annotated	Unstable	
N#Cc1cc(Cl)c2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc2c1	ZINC000586925874	HJ	Annotated	Unstable	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1Cl	ZINC000586926012	HJ	Annotated	Unstable	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1Cl	ZINC000586926080	HJ	Annotated	Unstable	
O=[N+]([O-])c1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1F	ZINC000586926126	HJ	Annotated	Unstable	
CC(=O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1	ZINC000586926193	HJ	Annotated	Unstable	
COc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2cc1Cl	ZINC000586926297	HJ	Annotated	Unstable	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1Cl	ZINC000586926315	HJ	Annotated	Unstable	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1Cl	ZINC000586926328	HJ	Annotated	Unstable	
O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cccc(F)c3[nH]2)c1	ZINC000586926357	HJ	Annotated	Unstable	
CCc1ccc(-c2nc3cc(C)cc(Br)c3[nH]2)cc1S(=O)(=O)Cl	ZINC000586926457	HJ	Annotated	Unstable	
CCc1ccc(-c2nc3cc(C)c(Br)cc3[nH]2)cc1S(=O)(=O)Cl	ZINC000586926491	HJ	Annotated	Unstable	
Cc1c(Br)ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12	ZINC000586926502	HJ	Annotated	Unstable	
CCc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)cc1S(=O)(=O)Cl	ZINC000586926503	HJ	Annotated	Unstable	
CCc1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)cc1S(=O)(=O)Cl	ZINC000586926519	HJ	Annotated	Unstable	
O=S(=O)(Cl)c1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)ccc1Cl	ZINC000586926550	HJ	Annotated	Unstable	
COc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1F	ZINC000586926563	HJ	Annotated	Unstable	
CCc1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)cc1S(=O)(=O)Cl	ZINC000586926584	HJ	Annotated	Unstable	
Cc1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12	ZINC000586926597	HJ	Annotated	Unstable	
O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccccc3[nH]2)c1	ZINC000586926607	HJ	Annotated	Unstable	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1Cl	ZINC000586926635	HJ	Annotated	Unstable	
Cc1cc(Br)cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12	ZINC000586926769	HJ	Annotated	Unstable	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1Cl	ZINC000586926771	HJ	Annotated	Unstable	
O=S(=O)(Cl)c1cc(-c2nc3ccc(Br)c(F)c3[nH]2)ccc1Cl	ZINC000586926808	HJ	Annotated	Unstable	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)c1Cl	ZINC000586927097	HJ	Annotated	Unstable	
O=S(=O)(Cl)c1ccc(-c2nc3cccc(Br)c3[nH]2)cc1Cl	ZINC000586927115	HJ	Annotated	Unstable	
O=S(=O)(Cl)c1cc(-c2nc3ccc(F)c(Br)c3[nH]2)ccc1Cl	ZINC000586927116	HJ	Annotated	Unstable	
Cc1cc(Br)c2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc2c1	ZINC000586927225	HJ	Annotated	Unstable	
CS(=O)(=O)c1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc([N+](=O)[O-])c1Cl	ZINC000586927234	HJ	Annotated	Bother	
O=S(=O)(Cl)c1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)ccc1Cl	ZINC000586927252	HJ	Annotated	Unstable	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(Br)c3[nH]2)c1Cl	ZINC000586927364	HJ	Annotated	Unstable	
O=S(=O)(Cl)c1cc(-c2nc3cc(Br)cc(F)c3[nH]2)ccc1Cl	ZINC000586927384	HJ	Annotated	Unstable	
CCc1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)cc1S(=O)(=O)Cl	ZINC000586927391	HJ	Annotated	Unstable	
O=S(=O)(Cl)c1cc(-c2nc3cc(F)cc(Br)c3[nH]2)ccc1Cl	ZINC000586927440	HJ	Annotated	Unstable	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1Cl	ZINC000586927457	HJ	Annotated	Unstable	
CCc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1S(=O)(=O)Cl	ZINC000586927512	HJ	Annotated	Unstable	
O=S(=O)(Cl)c1ccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1Cl	ZINC000586927536	HJ	Annotated	Unstable	
O=S(=O)(Cl)c1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)cc1Cl	ZINC000586927538	HJ	Annotated	Unstable	
Cc1cc(-c2nc3c(Br)cc(Cl)cc3[nH]2)ccc1S(=O)(=O)Cl	ZINC000586927617	HJ	Annotated	Unstable	
CCc1ccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1S(=O)(=O)Cl	ZINC000586927635	HJ	Annotated	Unstable	
Cc1cc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)ccc1S(=O)(=O)Cl	ZINC000586927664	HJ	Annotated	Unstable	
CCc1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1S(=O)(=O)Cl	ZINC000586927674	HJ	Annotated	Unstable	
O=S(=O)(Cl)c1cc(-c2nc3cccc(Br)c3[nH]2)ccc1Cl	ZINC000586927700	HJ	Annotated	Unstable	
CCc1ccc(-c2nc3cc(Br)cc(C)c3[nH]2)cc1S(=O)(=O)Cl	ZINC000586927775	HJ	Annotated	Unstable	
CC(C)Oc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1Br	ZINC000586927824	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1Br	ZINC000586927831	HJ	Annotated	Anodyne	
O=S(=O)(Cl)c1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)cc1Cl	ZINC000586927931	HJ	Annotated	Unstable	
O=S(=O)(Cl)c1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)cc1Cl	ZINC000586927946	HJ	Annotated	Unstable	
Cc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1S(=O)(=O)Cl	ZINC000586927958	HJ	Annotated	Unstable	
CCc1ccc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1S(=O)(=O)Cl	ZINC000586927992	HJ	Annotated	Unstable	
CCc1ccc(-c2nc3ccc(Br)c(C)c3[nH]2)cc1S(=O)(=O)Cl	ZINC000586928009	HJ	Annotated	Unstable	
Cc1cc(Br)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc2c1	ZINC000586928120	HJ	Annotated	Unstable	
Cc1cc(-c2nc3c(Cl)cc(Br)cc3[nH]2)ccc1S(=O)(=O)Cl	ZINC000586928159	HJ	Annotated	Unstable	
Cc1c(Br)ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12	ZINC000586928285	HJ	Annotated	Unstable	
O=S(=O)(Cl)c1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1Cl	ZINC000586928340	HJ	Annotated	Unstable	
Cc1cc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)ccc1S(=O)(=O)Cl	ZINC000586928345	HJ	Annotated	Unstable	
O=S(=O)(Cl)c1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)cc1Cl	ZINC000586928362	HJ	Annotated	Unstable	
Cc1cc(Br)cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12	ZINC000586928376	HJ	Annotated	Unstable	
Cc1ccc2c(ccc3nc(-c4cc(S(=O)(=O)Cl)cc(C)c4Cl)[nH]c32)n1	ZINC000586928945	HJ	Annotated	Unstable	
Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(C)ccc(C)c4[nH]3)c2)cc1	ZINC000586930251	HJ	Annotated	Anodyne	
CN(C)S(=O)(=O)c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)o1	ZINC000586931133	HJ	Annotated	Reactive	
CCCCS(=O)(=O)N[C@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)C(C)C	ZINC000586932880	HJ	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)C(C)C	ZINC000586932881	HJ	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)C(C)C	ZINC000586933206	HJ	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)C(C)C	ZINC000586933209	HJ	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(C)C	ZINC000586933444	HJ	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(C)C	ZINC000586933445	HJ	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(C)C	ZINC000586933838	HJ	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(C)C	ZINC000586933839	HJ	Annotated	Anodyne	
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)cc(C)c2[nH]1	ZINC000586934502	HJ	Annotated	Anodyne	
CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)cc(C)c2[nH]1	ZINC000586934503	HJ	Annotated	Anodyne	
CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(C(C)(C)C)c2[nH]1	ZINC000586934547	HJ	Annotated	Anodyne	
CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(C(C)(C)C)c2[nH]1	ZINC000586934548	HJ	Annotated	Anodyne	
Cc1c(Cl)ccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12	ZINC000586934788	HJ	Annotated	Anodyne	
Cc1c(Cl)ccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12	ZINC000586934794	HJ	Annotated	Anodyne	
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)ccc(C)c2[nH]1	ZINC000586934982	HJ	Annotated	Anodyne	
CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)ccc(C)c2[nH]1	ZINC000586934984	HJ	Annotated	Anodyne	
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Cl)cc2[nH]1	ZINC000586935107	HJ	Annotated	Anodyne	
CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Cl)cc2[nH]1	ZINC000586935113	HJ	Annotated	Anodyne	
CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1	ZINC000586935708	HJ	Annotated	Bother	
CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C)c(C)c2[nH]1	ZINC000586935889	HJ	Annotated	Anodyne	
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C)c(C)c2[nH]1	ZINC000586935890	HJ	Annotated	Anodyne	
CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1	ZINC000586936223	HJ	Annotated	Anodyne	
CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1	ZINC000586936225	HJ	Annotated	Anodyne	
CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)CCCC3	ZINC000586936524	HJ	Annotated	Anodyne	
CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)CCCC3	ZINC000586936529	HJ	Annotated	Anodyne	
CC(C)Oc1ccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1	ZINC000586938275	HJ	Annotated	Anodyne	
CC(C)Oc1ccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1	ZINC000586938278	HJ	Annotated	Anodyne	
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(Cl)c2[nH]1	ZINC000586938497	HJ	Annotated	Anodyne	
CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(Cl)c2[nH]1	ZINC000586938501	HJ	Annotated	Anodyne	
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)c(C)cc2[nH]1	ZINC000586938552	HJ	Annotated	Anodyne	
CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)c(C)cc2[nH]1	ZINC000586938553	HJ	Annotated	Anodyne	
CCc1ccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1	ZINC000586938719	HJ	Annotated	Anodyne	
CCc1ccc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1	ZINC000586938721	HJ	Annotated	Anodyne	
Cc1cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Cl	ZINC000586938754	HJ	Annotated	Anodyne	
Cc1cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Cl	ZINC000586938756	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12	ZINC000586939473	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12	ZINC000586939474	HJ	Annotated	Anodyne	
C=CCc1cccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12	ZINC000586939479	HJ	Annotated	Mild	
C=CCc1cccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12	ZINC000586939480	HJ	Annotated	Mild	
CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc(F)c2[nH]1	ZINC000586939525	HJ	Annotated	Anodyne	
CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc(F)c2[nH]1	ZINC000586939526	HJ	Annotated	Anodyne	
CSc1ccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1	ZINC000586939869	HJ	Annotated	Anodyne	
CSc1ccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1	ZINC000586939870	HJ	Annotated	Anodyne	
Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1	ZINC000586941184	HJ	Annotated	Anodyne	
Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1	ZINC000586941185	HJ	Annotated	Anodyne	
C=CCc1cccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12	ZINC000586945242	HJ	Annotated	Mild	
Cc1cc(Cl)cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12	ZINC000586945574	HJ	Annotated	Anodyne	
Cc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1Cl	ZINC000586945768	HJ	Annotated	Anodyne	
CC(C)(C)c1cccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12	ZINC000586946029	HJ	Annotated	Anodyne	
CSc1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1	ZINC000586946188	HJ	Annotated	Anodyne	
Cc1c(Cl)ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12	ZINC000586946212	HJ	Annotated	Anodyne	
O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc3ccccc3cc2[nH]1	ZINC000586946330	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1	ZINC000586946383	HJ	Annotated	Anodyne	
CNS(=O)(=O)c1ccc(CCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1	ZINC000586946790	HJ	Annotated	Bother	
Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4nc(Cl)ccc4[nH]3)cc2)c1C	ZINC000586947030	HJ	Annotated	Anodyne	
Cc1c(Br)cc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2c1C	ZINC000586947802	HJ	Annotated	Anodyne	
CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1	ZINC000586948385	HJ	Annotated	Anodyne	
CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(Sc3ccccc3)cc2[nH]1	ZINC000586948478	HJ	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(F)c(F)c(F)c3[nH]2)cc1	ZINC000586948697	HJ	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1	ZINC000586949130	HJ	Annotated	Mild	
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc4ncccc4c3[nH]2)cc1	ZINC000586949933	HJ	Annotated	Anodyne	
CS(=O)(=O)Nc1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1	ZINC000586950293	HJ	Annotated	Anodyne	
O=S(=O)(Cc1nc2cc3ccccc3cc2[nH]1)Nc1ccc(N2CCCCC2)cc1	ZINC000586950646	HJ	Annotated	Anodyne	
Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1	ZINC000586951684	HJ	Annotated	Anodyne	
Cc1nc(NS(C)(=O)=O)sc1-c1nc2c3ccccc3c3ccccc3c2[nH]1	ZINC000586951751	HJ	Annotated	Bother	
O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(C(F)(F)F)cc2[nH]1	ZINC000586952680	HJ	Annotated	Anodyne	
O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cccc(C(F)(F)F)c2[nH]1	ZINC000586952876	HJ	Annotated	Anodyne	
CC1CCC(NS(=O)(=O)Cc2nc3c4ccccc4c4ccccc4c3[nH]2)CC1	ZINC000586952964	HJ	Annotated	Bother	
CCCS(=O)(=O)N1CCC(c2nc3c4ccccc4c4ccccc4c3[nH]2)CC1	ZINC000586953149	HJ	Annotated	Bother	
CC(C)(C)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1	ZINC000586953317	HJ	Annotated	Anodyne	
CC(C)(C)c1cccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12	ZINC000586953421	HJ	Annotated	Anodyne	
O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc3ccccc3cc2[nH]1	ZINC000586953644	HJ	Annotated	Anodyne	
CC1CCC(NS(=O)(=O)Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)CC1	ZINC000586953667	HJ	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C(C)(C)C)cc4[nH]3)CC2)cc1	ZINC000586954416	HJ	Annotated	Anodyne	
Cc1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1C	ZINC000586954561	HJ	Annotated	Anodyne	
Cc1cc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2cc1C	ZINC000586954647	HJ	Annotated	Anodyne	
Cc1ccc(C)c2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc12	ZINC000586954844	HJ	Annotated	Anodyne	
CCc1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1	ZINC000586954852	HJ	Annotated	Anodyne	
Cc1ccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2c1C	ZINC000586954890	HJ	Annotated	Anodyne	
Cc1cc(C)c2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2c1	ZINC000586955112	HJ	Annotated	Anodyne	
Cc1c(F)ccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c12	ZINC000586955153	HJ	Annotated	Anodyne	
Cc1cc(C)c2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc2c1	ZINC000586955483	HJ	Annotated	Anodyne	
Cc1cc(F)c2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc2c1	ZINC000586955763	HJ	Annotated	Anodyne	
CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(F)c(F)c4[nH]3)CC2)cc1	ZINC000586955773	HJ	Annotated	Anodyne	
Cc1cc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2cc1F	ZINC000586955800	HJ	Annotated	Anodyne	
C=CCc1cccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c12	ZINC000586955820	HJ	Annotated	Mild	
CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1	ZINC000586955914	HJ	Annotated	Anodyne	
CC(C)(C)c1cccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c12	ZINC000586955958	HJ	Annotated	Anodyne	
O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1)N1CCC1	ZINC000586956031	HJ	Annotated	Anodyne	
Cc1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12	ZINC000586956487	HJ	Annotated	Anodyne	
O=[S@](CCCc1nc2ccc3ncccc3c2[nH]1)c1ccc(Br)cc1	ZINC000586957667	HJ	Annotated	Anodyne	
O=[S@@](CCCc1nc2ccc3ncccc3c2[nH]1)c1ccc(Br)cc1	ZINC000586957670	HJ	Annotated	Anodyne	
C=CCc1cccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12	ZINC000586957704	HJ	Annotated	Mild	
C=CCc1cccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12	ZINC000586957707	HJ	Annotated	Mild	
O=[S@@](Cc1nc2cc3c(cc2[nH]1)OCCCO3)C(c1ccccc1)c1ccccc1	ZINC000586957716	HJ	Annotated	Anodyne	
O=[S@](Cc1nc2cc3c(cc2[nH]1)OCCCO3)C(c1ccccc1)c1ccccc1	ZINC000586957719	HJ	Annotated	Anodyne	
N#Cc1nc(Cl)cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12	ZINC000586958181	HJ	Annotated	Mild	
N#Cc1nc(Cl)cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12	ZINC000586958184	HJ	Annotated	Mild	
COc1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1OC	ZINC000586958576	HJ	Annotated	Anodyne	
COc1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1OC	ZINC000586958578	HJ	Annotated	Anodyne	
O=[S@](CCCc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(Br)cc1	ZINC000586958678	HJ	Annotated	Anodyne	
O=[S@@](CCCc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(Br)cc1	ZINC000586958681	HJ	Annotated	Anodyne	
CCCCOc1cc2nc(CSC(C)(C)C(=O)O)[nH]c2cc1Br	ZINC000586958732	HJ	Annotated	Anodyne	
O=[S@@](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)CC1CC1	ZINC000586958784	HJ	Annotated	Anodyne	
O=[S@](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)CC1CC1	ZINC000586958786	HJ	Annotated	Anodyne	
Cc1cc(C)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1	ZINC000586958913	HJ	Annotated	Anodyne	
Cc1cc(C)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1	ZINC000586958919	HJ	Annotated	Anodyne	
Cc1cc(C)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1	ZINC000586958920	HJ	Annotated	Anodyne	
Cc1cc(C)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1	ZINC000586958922	HJ	Annotated	Anodyne	
CCCCOc1cc2nc(C(C)(C)SCC(=O)O)[nH]c2cc1Br	ZINC000586959328	HJ	Annotated	Anodyne	
CC(C)CCOc1cc2nc(C(C)(C)SCC(=O)O)[nH]c2cc1Br	ZINC000586959374	HJ	Annotated	Anodyne	
C=CCc1cccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12	ZINC000586959460	HJ	Annotated	Mild	
C=CCc1cccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12	ZINC000586959462	HJ	Annotated	Mild	
C=CCc1cccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12	ZINC000586959464	HJ	Annotated	Mild	
C=CCc1cccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12	ZINC000586959466	HJ	Annotated	Mild	
COc1cc(OC)c2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc2c1	ZINC000586959620	HJ	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc2c1	ZINC000586959622	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Cl)cc3[nH]2)C[C@@H]2CCCC[C@@H]21	ZINC000586960017	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Cl)cc3[nH]2)C[C@@H]2CCCC[C@H]21	ZINC000586960024	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Cl)cc3[nH]2)C[C@H]2CCCC[C@@H]21	ZINC000586960027	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Cl)cc3[nH]2)C[C@H]2CCCC[C@H]21	ZINC000586960028	HJ	Annotated	Anodyne	
Cc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1C	ZINC000586960097	HJ	Annotated	Anodyne	
Cc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1C	ZINC000586960100	HJ	Annotated	Anodyne	
Cc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1C	ZINC000586960103	HJ	Annotated	Anodyne	
Cc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1C	ZINC000586960107	HJ	Annotated	Anodyne	
CCCCCOc1cc2nc(CSC(C)(C)C(=O)O)[nH]c2cc1Br	ZINC000586960108	HJ	Annotated	Anodyne	
C[C@@H](Sc1ncccn1)c1nc2c(Br)ccc(Br)c2[nH]1	ZINC000586960265	HJ	Annotated	Anodyne	
C[C@H](Sc1ncccn1)c1nc2c(Br)ccc(Br)c2[nH]1	ZINC000586960270	HJ	Annotated	Anodyne	
CSc1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1	ZINC000586960753	HJ	Annotated	Anodyne	
CSc1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1	ZINC000586960758	HJ	Annotated	Anodyne	
C[C@@H](Sc1ncccn1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1	ZINC000586960850	HJ	Annotated	Anodyne	
C[C@H](Sc1ncccn1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1	ZINC000586960852	HJ	Annotated	Anodyne	
Cc1cc2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc2cc1[N+](=O)[O-]	ZINC000586960886	HJ	Annotated	Bother	
Cc1cc2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc2cc1[N+](=O)[O-]	ZINC000586960888	HJ	Annotated	Bother	
CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)SCc3ccccc3)[nH]c2c1	ZINC000586960906	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2n1	ZINC000586960907	HJ	Annotated	Anodyne	
CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)SCc3ccccc3)[nH]c2c1	ZINC000586960910	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2n1	ZINC000586960914	HJ	Annotated	Anodyne	
C[C@@H](Sc1ncccn1)c1nc2cc(Br)c(Br)cc2[nH]1	ZINC000586960965	HJ	Annotated	Anodyne	
C[C@H](Sc1ncccn1)c1nc2cc(Br)c(Br)cc2[nH]1	ZINC000586960967	HJ	Annotated	Anodyne	
CC(C)CCOc1cc2nc(CSC(C)(C)C(=O)O)[nH]c2cc1Br	ZINC000586961006	HJ	Annotated	Anodyne	
O=[S@](CCCc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(Br)cc1	ZINC000586961225	HJ	Annotated	Anodyne	
O=[S@@](CCCc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(Br)cc1	ZINC000586961228	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1F	ZINC000586961536	HJ	Annotated	Bother	
O=[N+]([O-])c1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1F	ZINC000586961538	HJ	Annotated	Bother	
O=[S@](CCCc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(Br)cc1	ZINC000586961654	HJ	Annotated	Anodyne	
O=[S@@](CCCc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(Br)cc1	ZINC000586961655	HJ	Annotated	Anodyne	
N#Cc1cc(Cl)c2[nH]c(CCC[S@](=O)c3ccc(Br)cc3)nc2c1	ZINC000586961666	HJ	Annotated	Mild	
N#Cc1cc(Cl)c2[nH]c(CCC[S@@](=O)c3ccc(Br)cc3)nc2c1	ZINC000586961667	HJ	Annotated	Mild	
Cc1cc(F)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1	ZINC000586961774	HJ	Annotated	Anodyne	
Cc1cc(F)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1	ZINC000586961785	HJ	Annotated	Anodyne	
Cc1cc(F)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1	ZINC000586961786	HJ	Annotated	Anodyne	
Cc1cc(F)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1	ZINC000586961787	HJ	Annotated	Anodyne	
O=[S@](CCCc1nc2cnc3ccccc3c2[nH]1)c1ccc(Br)cc1	ZINC000586961930	HJ	Annotated	Anodyne	
O=[S@@](CCCc1nc2cnc3ccccc3c2[nH]1)c1ccc(Br)cc1	ZINC000586961932	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)c(F)cc3[nH]2)C[C@H]2CCCC[C@@H]21	ZINC000586962092	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)c(F)cc3[nH]2)C[C@H]2CCCC[C@H]21	ZINC000586962100	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)c(F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21	ZINC000586962101	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)c(F)cc3[nH]2)C[C@@H]2CCCC[C@H]21	ZINC000586962103	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cc(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21	ZINC000586962105	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cc(F)c3[nH]2)C[C@@H]2CCCC[C@H]21	ZINC000586962106	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cc(F)c3[nH]2)C[C@H]2CCCC[C@@H]21	ZINC000586962109	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cc(F)c3[nH]2)C[C@H]2CCCC[C@H]21	ZINC000586962110	HJ	Annotated	Anodyne	
Cc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F	ZINC000586962221	HJ	Annotated	Anodyne	
Cc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F	ZINC000586962222	HJ	Annotated	Anodyne	
Cc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F	ZINC000586962223	HJ	Annotated	Anodyne	
Cc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F	ZINC000586962224	HJ	Annotated	Anodyne	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000586962233	HJ	Annotated	Anodyne	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000586962236	HJ	Annotated	Anodyne	
CCc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1	ZINC000586962362	HJ	Annotated	Anodyne	
CCc1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1	ZINC000586962371	HJ	Annotated	Anodyne	
CCc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1	ZINC000586962374	HJ	Annotated	Anodyne	
CCc1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1	ZINC000586962377	HJ	Annotated	Anodyne	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000586962380	HJ	Annotated	Bother	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000586962387	HJ	Annotated	Bother	
Cc1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1C	ZINC000586962505	HJ	Annotated	Anodyne	
Cc1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1C	ZINC000586962508	HJ	Annotated	Anodyne	
Cc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1C	ZINC000586962509	HJ	Annotated	Anodyne	
Cc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1C	ZINC000586962510	HJ	Annotated	Anodyne	
C[C@@H](Sc1ncccn1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1	ZINC000586962584	HJ	Annotated	Anodyne	
C[C@H](Sc1ncccn1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1	ZINC000586962585	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc([C@@H](C)Sc3ncccn3)[nH]c2c(F)c1Nc1ccccc1	ZINC000586962628	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc([C@H](C)Sc3ncccn3)[nH]c2c(F)c1Nc1ccccc1	ZINC000586962629	HJ	Annotated	Anodyne	
Cc1c(F)ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12	ZINC000586962660	HJ	Annotated	Anodyne	
Cc1c(F)ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12	ZINC000586962663	HJ	Annotated	Anodyne	
Cc1c(F)ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12	ZINC000586962665	HJ	Annotated	Anodyne	
Cc1c(F)ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12	ZINC000586962667	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(F)c(F)c3[nH]2)C[C@H]2CCCC[C@@H]21	ZINC000586962716	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21	ZINC000586962717	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@H]21	ZINC000586962718	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(F)c(F)c3[nH]2)C[C@H]2CCCC[C@H]21	ZINC000586962719	HJ	Annotated	Anodyne	
Cc1ccc(C)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc12	ZINC000586962740	HJ	Annotated	Anodyne	
Cc1ccc(C)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc12	ZINC000586962741	HJ	Annotated	Anodyne	
Cc1ccc(C)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc12	ZINC000586962742	HJ	Annotated	Anodyne	
Cc1ccc(C)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc12	ZINC000586962743	HJ	Annotated	Anodyne	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000586962767	HJ	Annotated	Anodyne	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000586962770	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21	ZINC000586962866	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21	ZINC000586962868	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21	ZINC000586962870	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21	ZINC000586962871	HJ	Annotated	Anodyne	
C[C@@H](Sc1ncccn1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1	ZINC000586962968	HJ	Annotated	Anodyne	
C[C@H](Sc1ncccn1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1	ZINC000586962969	HJ	Annotated	Anodyne	
C[C@@H](Sc1ncccn1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1	ZINC000586962970	HJ	Annotated	Anodyne	
C[C@H](Sc1ncccn1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1	ZINC000586962972	HJ	Annotated	Anodyne	
C[C@@H](Sc1ncccn1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1	ZINC000586962980	HJ	Annotated	Anodyne	
C[C@H](Sc1ncccn1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1	ZINC000586962981	HJ	Annotated	Anodyne	
C[C@@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1	ZINC000586962984	HJ	Annotated	Anodyne	
C[C@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1	ZINC000586962985	HJ	Annotated	Anodyne	
C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1	ZINC000586962994	HJ	Annotated	Anodyne	
C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1	ZINC000586962995	HJ	Annotated	Anodyne	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1	ZINC000586963077	HJ	Annotated	Anodyne	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1	ZINC000586963078	HJ	Annotated	Anodyne	
Cc1ccc(SCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(C)c1	ZINC000586963179	HJ	Annotated	Anodyne	
C[C@@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1	ZINC000586963220	HJ	Annotated	Anodyne	
C[C@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1	ZINC000586963222	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)Sc4ncccn4)[nH]c3c2)cc1	ZINC000586963301	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc([C@H](C)Sc4ncccn4)[nH]c3c2)cc1	ZINC000586963304	HJ	Annotated	Anodyne	
C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1	ZINC000586963305	HJ	Annotated	Anodyne	
C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1	ZINC000586963307	HJ	Annotated	Anodyne	
C[C@@H](SCc1ccccc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1	ZINC000586963403	HJ	Annotated	Anodyne	
C[C@H](SCc1ccccc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1	ZINC000586963404	HJ	Annotated	Anodyne	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)c(C)c(C)c2[nH]1	ZINC000586963648	HJ	Annotated	Anodyne	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)c(C)c(C)c2[nH]1	ZINC000586963651	HJ	Annotated	Anodyne	
Cc1cccc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c12	ZINC000586964220	HJ	Annotated	Anodyne	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000586964351	HJ	Annotated	Bother	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000586964352	HJ	Annotated	Bother	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	ZINC000586964423	HJ	Annotated	Clean	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	ZINC000586964424	HJ	Annotated	Clean	
N#Cc1ccccc1SCc1nc2c(Br)cnc(Br)c2[nH]1	ZINC000586964629	HJ	Annotated	Mild	
Cc1ccc(-c2nnc(SCc3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)n2C)cc1	ZINC000586964787	HJ	Annotated	Bother	
Cc1ccc(-c2nnc(SCc3nc4cc(Cl)c(F)c(F)c4[nH]3)n2C)cc1	ZINC000586964880	HJ	Annotated	Anodyne	
Cc1ccc(-c2nnc(SCc3nc4ccc5nc(C)ccc5c4[nH]3)n2C)cc1	ZINC000586964893	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(CSc3ccccc3C#N)nc2c1	ZINC000586964914	HJ	Annotated	Mild	
CCN(CC)S(=O)(=O)c1ccc2nc(CSc3ccc(C)cc3C)[nH]c2c1	ZINC000586964947	HJ	Annotated	Anodyne	
Cc1ccc(-c2nnc(SCc3nc4cc(Cl)nc(Cl)c4[nH]3)n2C)cc1	ZINC000586964957	HJ	Annotated	Anodyne	
Cc1ccc(-c2nnc(SCc3nc4cc(Cl)c(Cl)nc4[nH]3)n2C)cc1	ZINC000586965071	HJ	Annotated	Anodyne	
Cc1ccc(-c2nnc(SCc3nc4c(Cl)cnc(Cl)c4[nH]3)n2C)cc1	ZINC000586965214	HJ	Annotated	Anodyne	
Cc1ccc(-c2nnc(SCc3nc4c(F)c(F)c(F)c(F)c4[nH]3)n2C)cc1	ZINC000586965305	HJ	Annotated	Anodyne	
Cc1ccc(-c2nnc(SCc3nc4cccc(Br)c4[nH]3)n2C)cc1	ZINC000586965341	HJ	Annotated	Anodyne	
CCCCNS(=O)(=O)c1ccc2nc(CSc3ccc(C)cc3C)[nH]c2c1	ZINC000586965428	HJ	Annotated	Anodyne	
Cc1cnc(Cl)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12	ZINC000586965626	HJ	Annotated	Anodyne	
N#Cc1cc(Cl)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1	ZINC000586965658	HJ	Annotated	Mild	
Cc1ccc(-c2nnc(SCc3nc4cccc(C(F)(F)F)c4[nH]3)n2C)cc1	ZINC000586965682	HJ	Annotated	Anodyne	
Cc1ccc(-c2nnc(SCc3nc4c(Cl)c(Cl)cnc4[nH]3)n2C)cc1	ZINC000586965737	HJ	Annotated	Anodyne	
Cc1ccc(-c2nnc(SCc3nc4ccc(OC(F)(F)F)cc4[nH]3)n2C)cc1	ZINC000586965803	HJ	Annotated	Anodyne	
Cc1ccc(-c2nnc(SCc3nc4cccc(OC(F)(F)F)c4[nH]3)n2C)cc1	ZINC000586965829	HJ	Annotated	Anodyne	
Cc1ccc(-n2ccnc2SCc2nc3cncc(Br)c3[nH]2)c(C)c1	ZINC000586965953	HJ	Annotated	Anodyne	
Cc1ccc(-n2cnnc2SCc2nc3cc(C#N)cc(Cl)c3[nH]2)cc1Cl	ZINC000586966031	HJ	Annotated	Mild	
Cc1ccc(-n2ccnc2SCc2nc3cc4c(cc3[nH]2)OCCCO4)c(C)c1	ZINC000586966048	HJ	Annotated	Anodyne	
c1ccc(Cn2c(SCc3nc4ccc5ncccc5c4[nH]3)nnc2C2CC2)cc1	ZINC000586966054	HJ	Annotated	Anodyne	
Cc1ccc(-n2ccnc2SCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(C)c1	ZINC000586966057	HJ	Annotated	Anodyne	
COc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1F	ZINC000586966061	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c2c1	ZINC000586966067	HJ	Annotated	Anodyne	
Fc1cnc(Cl)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12	ZINC000586966197	HJ	Annotated	Anodyne	
Fc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c(F)c1F	ZINC000586966223	HJ	Annotated	Anodyne	
Oc1cc(O)nc(SCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)n1	ZINC000586966251	HJ	Annotated	Reactive	
O=C(O)c1cccnc1SCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1	ZINC000586966349	HJ	Annotated	Anodyne	
Cc1ccc(-n2ccnc2SCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(C)c1	ZINC000586966390	HJ	Annotated	Anodyne	
Cc1ccc(-n2ccnc2SCc2nc3cc(Br)cnc3[nH]2)c(C)c1	ZINC000586966413	HJ	Annotated	Anodyne	
Cc1ccc(-n2ccnc2SCc2nc3c(Br)ccnc3[nH]2)c(C)c1	ZINC000586966416	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c2c1	ZINC000586966430	HJ	Annotated	Anodyne	
Clc1cc(Br)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1	ZINC000586966433	HJ	Annotated	Anodyne	
FC(F)(F)c1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1Cl	ZINC000586966438	HJ	Annotated	Anodyne	
Cc1ccc(-n2ccnc2SCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(C)c1	ZINC000586966506	HJ	Annotated	Anodyne	
Cc1ccc(-n2ccnc2SCc2nc3ccc(Br)nc3[nH]2)c(C)c1	ZINC000586966524	HJ	Annotated	Anodyne	
c1ccc(Cn2c(SCc3nc4cnc5ccccc5c4[nH]3)nnc2C2CC2)cc1	ZINC000586966684	HJ	Annotated	Anodyne	
Cc1ccc(-n2ccnc2SCc2nc3ccnc(Br)c3[nH]2)c(C)c1	ZINC000586966712	HJ	Annotated	Anodyne	
Cc1cc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2cc1[N+](=O)[O-]	ZINC000586966715	HJ	Annotated	Bother	
O=C(O)CSc1ncccc1-c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1	ZINC000586966759	HJ	Annotated	Anodyne	
FC(F)(F)c1cc(Cl)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1	ZINC000586966760	HJ	Annotated	Anodyne	
Cc1ccc(-n2ccnc2SCc2nc3ccc(OCCN(C)C)cc3[nH]2)c(C)c1	ZINC000586966791	HJ	Annotated	Anodyne	
Cc1ccc(-n2ccnc2SCc2nc3cc(Br)ncc3[nH]2)c(C)c1	ZINC000586966902	HJ	Annotated	Anodyne	
CC(=O)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1	ZINC000586967087	HJ	Annotated	Anodyne	
Nc1ccc(Oc2ccc3nc(CSc4nc(-c5cccnc5)no4)[nH]c3c2)cc1	ZINC000586967201	HJ	Annotated	Clean	
Cc1c(Br)cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1C	ZINC000586967242	HJ	Annotated	Anodyne	
CCc1cc(O)nc(SCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)n1	ZINC000586967263	HJ	Annotated	Anodyne	
Clc1cc(Br)cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12	ZINC000586967424	HJ	Annotated	Anodyne	
O=C(c1ccccc1)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1	ZINC000586967448	HJ	Annotated	Anodyne	
FC(F)(F)Sc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1	ZINC000586967464	HJ	Annotated	Anodyne	
c1ccc(COc2cccc3nc(CSc4nc(-c5cccnc5)no4)[nH]c23)cc1	ZINC000586967478	HJ	Annotated	Anodyne	
Cc1ccc(-n2cnnc2SCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1Cl	ZINC000586967606	HJ	Annotated	Anodyne	
Cc1ccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2n1	ZINC000586967710	HJ	Annotated	Anodyne	
Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccc(C#N)c3[nH]2)c1C=O	ZINC000586967729	HJ	Annotated	Mild	
COc1cc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2cc1F	ZINC000586967745	HJ	Annotated	Anodyne	
C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(F)c3[nH]2)C[C@H](C)O1	ZINC000586967782	HJ	Annotated	Anodyne	
C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(F)c3[nH]2)C[C@@H](C)O1	ZINC000586967783	HJ	Annotated	Anodyne	
C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(F)c3[nH]2)C[C@@H](C)O1	ZINC000586967784	HJ	Annotated	Anodyne	
Cc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2c1	ZINC000586967864	HJ	Annotated	Anodyne	
Cc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2c1	ZINC000586967866	HJ	Annotated	Anodyne	
Cc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2c1	ZINC000586967867	HJ	Annotated	Anodyne	
Cc1ccc(-n2cnnc2SCc2nc3c(C)cnc(Cl)c3[nH]2)cc1Cl	ZINC000586967873	HJ	Annotated	Anodyne	
Cc1cnc2[nH]c(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)nc2c1	ZINC000586967892	HJ	Annotated	Anodyne	
Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(C)ccnc3[nH]2)c1C=O	ZINC000586967929	HJ	Annotated	Anodyne	
Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cncc(C)c3[nH]2)c1C=O	ZINC000586967943	HJ	Annotated	Anodyne	
Cc1ccc(-n2cnnc2SCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1Cl	ZINC000586968067	HJ	Annotated	Anodyne	
Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(C)nccc3[nH]2)c1C=O	ZINC000586968071	HJ	Annotated	Anodyne	
Cc1ccc(-n2cnnc2SCc2nc3cnc4ccccc4c3[nH]2)cc1Cl	ZINC000586968156	HJ	Annotated	Anodyne	
Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(C#N)cc3[nH]2)c1C=O	ZINC000586968188	HJ	Annotated	Mild	
Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(O)cc3[nH]2)c1C=O	ZINC000586968287	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2c1OC	ZINC000586968305	HJ	Annotated	Bother	
Cc1ccc(-n2cnnc2SCc2nc3c(F)cnc(Cl)c3[nH]2)cc1Cl	ZINC000586968354	HJ	Annotated	Anodyne	
Cc1ccc(-n2cnnc2SCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1Cl	ZINC000586968360	HJ	Annotated	Anodyne	
Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccc(O)c3[nH]2)c1C=O	ZINC000586968468	HJ	Annotated	Anodyne	
Cc1ccc(-n2cnnc2SCc2nc3ccc4ncccc4c3[nH]2)cc1Cl	ZINC000586968535	HJ	Annotated	Anodyne	
Cc1cccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c12	ZINC000586968773	HJ	Annotated	Anodyne	
CSCC(C)(C)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1	ZINC000586968774	HJ	Annotated	Anodyne	
Cc1cccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c12	ZINC000586968777	HJ	Annotated	Anodyne	
Cc1cccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c12	ZINC000586968780	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2c1	ZINC000586968807	HJ	Annotated	Bother	
Cc1ccc(-n2cnnc2SCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1Cl	ZINC000586968816	HJ	Annotated	Bother	
CCCCCOc1cc2nc(CSc3cccc[n+]3[O-])[nH]c2cc1Br	ZINC000586969194	HJ	Annotated	Anodyne	
C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(F)cc3[nH]2)C[C@H](C)O1	ZINC000586969287	HJ	Annotated	Anodyne	
C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(F)cc3[nH]2)C[C@@H](C)O1	ZINC000586969288	HJ	Annotated	Anodyne	
C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(F)cc3[nH]2)C[C@@H](C)O1	ZINC000586969289	HJ	Annotated	Anodyne	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(OCCN(C)C)cc2[nH]1	ZINC000586969835	HJ	Annotated	Bother	
COC(=O)c1cc(Br)c2[nH]c(CCSCc3ccc(C)cc3)nc2c1	ZINC000586969953	HJ	Annotated	Anodyne	
CC(C)CCOc1cc2nc(CSc3cccc[n+]3[O-])[nH]c2cc1Br	ZINC000586970037	HJ	Annotated	Anodyne	
CCCC(Br)(CCC)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	ZINC000586970250	HJ	Annotated	Anodyne	
COC(C)(C)[C@H](Br)c1nc2cc(OC(C)C)c(Br)cc2[nH]1	ZINC000586970331	HJ	Annotated	Reactive	
COC(C)(C)[C@@H](Br)c1nc2cc(OC(C)C)c(Br)cc2[nH]1	ZINC000586970333	HJ	Annotated	Reactive	
CCCC(Br)(CCC)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1	ZINC000586970350	HJ	Annotated	Anodyne	
CCCOc1cc2nc([C@@H](Br)C(C)(C)OC)[nH]c2cc1Br	ZINC000586970355	HJ	Annotated	Reactive	
CCCOc1cc2nc([C@H](Br)C(C)(C)OC)[nH]c2cc1Br	ZINC000586970443	HJ	Annotated	Reactive	
Cc1ccc(CSCCc2nc3cccc(I)c3[nH]2)cc1	ZINC000586970799	HJ	Annotated	Anodyne	
Cc1ccc(CSCCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1	ZINC000586970906	HJ	Annotated	Anodyne	
Cc1ccc(CSCCc2nc3ccc(I)cc3[nH]2)cc1	ZINC000586971144	HJ	Annotated	Anodyne	
CCCC(Br)(CCC)c1nc2cc(I)cnc2[nH]1	ZINC000586971208	HJ	Annotated	Anodyne	
COC(C)(C)[C@@H](Br)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1	ZINC000586971394	HJ	Annotated	Reactive	
COC(C)(C)[C@H](Br)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1	ZINC000586971397	HJ	Annotated	Reactive	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C)cc(Br)c2[nH]1	ZINC000586971931	HJ	Annotated	Anodyne	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C)cc(Br)c2[nH]1	ZINC000586971933	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1	ZINC000586971944	HJ	Annotated	Anodyne	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1	ZINC000586971946	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Br)c(F)cc2[nH]1	ZINC000586971947	HJ	Annotated	Anodyne	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Br)c(F)cc2[nH]1	ZINC000586971948	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1	ZINC000586971971	HJ	Annotated	Anodyne	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1	ZINC000586971972	HJ	Annotated	Anodyne	
FC(F)(F)Oc1cc(Br)c2[nH]c(CCCCBr)nc2c1	ZINC000586971973	HJ	Annotated	Reactive	
COC(=O)c1ccc(Oc2ccc3nc(CCCCBr)[nH]c3c2)cc1	ZINC000586972095	HJ	Annotated	Reactive	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Br)cc(C)c2[nH]1	ZINC000586972309	HJ	Annotated	Anodyne	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Br)cc(C)c2[nH]1	ZINC000586972311	HJ	Annotated	Anodyne	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C)c(Br)cc2[nH]1	ZINC000586972321	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C)c(Br)cc2[nH]1	ZINC000586972322	HJ	Annotated	Anodyne	
FC(F)(F)Oc1cc(Br)cc2nc(CCCCBr)[nH]c12	ZINC000586972342	HJ	Annotated	Reactive	
BrCCCCc1nc2cc(Br)c(Br)cc2[nH]1	ZINC000586972389	HJ	Annotated	Reactive	
COC(=O)c1cc2nc(CCCCBr)[nH]c2c(F)c1Nc1ccccc1	ZINC000586972420	HJ	Annotated	Reactive	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1	ZINC000586972570	HJ	Annotated	Mild	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1	ZINC000586972574	HJ	Annotated	Mild	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(Br)c(C)c2[nH]1	ZINC000586972575	HJ	Annotated	Anodyne	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(Br)c(C)c2[nH]1	ZINC000586972576	HJ	Annotated	Anodyne	
BrCCCCc1nc2c(Br)ccc(Br)c2[nH]1	ZINC000586972634	HJ	Annotated	Reactive	
FC(F)(F)Oc1cc2nc(CCCCBr)[nH]c2cc1Br	ZINC000586972730	HJ	Annotated	Reactive	
CCOC(=O)Cc1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2c1	ZINC000586972791	HJ	Annotated	Reactive	
CCOC(=O)Cc1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2c1	ZINC000586972792	HJ	Annotated	Reactive	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1	ZINC000586972996	HJ	Annotated	Anodyne	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1	ZINC000586972997	HJ	Annotated	Anodyne	
C[C@H](c1ccc(CBr)cc1)c1nc2c(F)cnc(Br)c2[nH]1	ZINC000586973006	HJ	Annotated	Reactive	
C[C@@H](c1ccc(CBr)cc1)c1nc2c(F)cnc(Br)c2[nH]1	ZINC000586973010	HJ	Annotated	Reactive	
COC(=O)c1cc2nc(/C=C/CBr)[nH]c2c(F)c1Nc1ccccc1	ZINC000586973330	HJ	Annotated	Reactive	
COC(=O)c1cc2nc(/C=C\CBr)[nH]c2c(F)c1Nc1ccccc1	ZINC000586973331	HJ	Annotated	Reactive	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1	ZINC000586973432	HJ	Annotated	Anodyne	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1	ZINC000586973433	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1	ZINC000586973907	HJ	Annotated	Anodyne	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1	ZINC000586973909	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1	ZINC000586974903	HJ	Annotated	Anodyne	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1	ZINC000586974904	HJ	Annotated	Anodyne	
COc1cc(Br)c([C@H](N)c2nc3cc4ccccc4cc3[nH]2)cc1OC	ZINC000586975026	HJ	Annotated	Anodyne	
COc1cc(Br)c([C@@H](N)c2nc3cc4ccccc4cc3[nH]2)cc1OC	ZINC000586975027	HJ	Annotated	Anodyne	
COc1cc(/C=C/c2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc1Br	ZINC000586975454	HJ	Annotated	Anodyne	
COc1cc(/C=C\c2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc1Br	ZINC000586975461	HJ	Annotated	Anodyne	
COc1cc(/C=C/c2nc3cncc(Br)c3[nH]2)ccc1Br	ZINC000586975729	HJ	Annotated	Anodyne	
COc1cc(/C=C\c2nc3cncc(Br)c3[nH]2)ccc1Br	ZINC000586975730	HJ	Annotated	Anodyne	
COc1cc(/C=C/c2nc3c(C)c(Br)cnc3[nH]2)ccc1Br	ZINC000586975735	HJ	Annotated	Anodyne	
COc1cc(/C=C\c2nc3c(C)c(Br)cnc3[nH]2)ccc1Br	ZINC000586975736	HJ	Annotated	Anodyne	
Cc1cc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1Br	ZINC000586975806	HJ	Annotated	Anodyne	
COc1cc(/C=C/c2nc3ccnc(Br)c3[nH]2)ccc1Br	ZINC000586975839	HJ	Annotated	Anodyne	
COc1cc(/C=C\c2nc3ccnc(Br)c3[nH]2)ccc1Br	ZINC000586975841	HJ	Annotated	Anodyne	
COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1Br	ZINC000586975915	HJ	Annotated	Anodyne	
COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1Br	ZINC000586975920	HJ	Annotated	Anodyne	
CCc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1Br	ZINC000586975967	HJ	Annotated	Anodyne	
Clc1ccc(OCc2nc3cncc(Br)c3[nH]2)c(Br)c1	ZINC000586976071	HJ	Annotated	Anodyne	
CCc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1Br	ZINC000586976114	HJ	Annotated	Anodyne	
Fc1cc2[nH]c(COc3ccc(Cl)cc3Br)nc2cc1-n1cccn1	ZINC000586976208	HJ	Annotated	Anodyne	
COc1cc(/C=C/c2nc3cc(Br)ncc3[nH]2)ccc1Br	ZINC000586976417	HJ	Annotated	Anodyne	
COc1cc(/C=C\c2nc3cc(Br)ncc3[nH]2)ccc1Br	ZINC000586976418	HJ	Annotated	Anodyne	
Cc1cc(Cc2nc3cc(C#N)cc(Br)c3[nH]2)ccc1Br	ZINC000586976440	HJ	Annotated	Mild	
COc1cc(Br)c([C@@H](N)c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1OC	ZINC000586976486	HJ	Annotated	Anodyne	
COc1cc(Br)c([C@H](N)c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1OC	ZINC000586976487	HJ	Annotated	Anodyne	
Clc1ccc(OCc2nc3cc(Br)ncc3[nH]2)c(Br)c1	ZINC000586976635	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3cncc(Cl)c3[nH]2)cc(Br)c1OC	ZINC000586976828	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3cncc(Cl)c3[nH]2)cc(Br)c1OC	ZINC000586976835	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3c(Cl)ccnc3[nH]2)cc(Br)c1OC	ZINC000586976982	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3c(Cl)ccnc3[nH]2)cc(Br)c1OC	ZINC000586976985	HJ	Annotated	Anodyne	
COc1cc(Br)c([C@H](N)c2nc3cccc(C(C)(C)C)c3[nH]2)cc1OC	ZINC000586977108	HJ	Annotated	Anodyne	
COc1cc(Br)c([C@@H](N)c2nc3cccc(C(C)(C)C)c3[nH]2)cc1OC	ZINC000586977112	HJ	Annotated	Anodyne	
COc1cc(/C=C/c2nc3c(Br)ccnc3[nH]2)ccc1Br	ZINC000586977156	HJ	Annotated	Anodyne	
COc1cc(/C=C\c2nc3c(Br)ccnc3[nH]2)ccc1Br	ZINC000586977158	HJ	Annotated	Anodyne	
Clc1cc(Cl)c(Br)c(-c2nc3nc(Br)c[nH]c-3n2)c1	ZINC000586977221	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3cc(Cl)ncc3[nH]2)cc(Br)c1OC	ZINC000586977277	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3cc(Cl)ncc3[nH]2)cc(Br)c1OC	ZINC000586977279	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3ccc(Cl)nc3[nH]2)cc(Br)c1OC	ZINC000586977281	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3ccc(Cl)nc3[nH]2)cc(Br)c1OC	ZINC000586977282	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCO4)cc(Br)c1OC	ZINC000586977325	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCO4)cc(Br)c1OC	ZINC000586977326	HJ	Annotated	Anodyne	
Cc1cc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)ccc1Br	ZINC000586977502	HJ	Annotated	Anodyne	
COc1cc(/C=C/c2nc3cc(Br)c(C)nc3[nH]2)ccc1Br	ZINC000586977517	HJ	Annotated	Anodyne	
COc1cc(/C=C\c2nc3cc(Br)c(C)nc3[nH]2)ccc1Br	ZINC000586977518	HJ	Annotated	Anodyne	
FC(F)(F)c1cnc2[nH]c(COc3ccc(Cl)cc3Br)nc2c1	ZINC000586977669	HJ	Annotated	Anodyne	
FC(F)(F)c1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cn1	ZINC000586977676	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3cccc(OC)c3[nH]2)cc(Br)c1OC	ZINC000586977809	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3cccc(OC)c3[nH]2)cc(Br)c1OC	ZINC000586977811	HJ	Annotated	Anodyne	
O=C1COc2cc3[nH]c(-c4cc(Cl)cc(Cl)c4Br)nc3cc2N1	ZINC000586977900	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c2c1	ZINC000586977920	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c2c1	ZINC000586977921	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1	ZINC000586977960	HJ	Annotated	Anodyne	
Clc1ccc(OCc2nc3c(Br)ccnc3[nH]2)c(Br)c1	ZINC000586977975	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1	ZINC000586977979	HJ	Annotated	Anodyne	
FC1(F)Oc2cc3nc(COc4ccc(Cl)cc4Br)[nH]c3cc2O1	ZINC000586977993	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3cc(C#N)c(C#N)cc3[nH]2)cc(Br)c1OC	ZINC000586978023	HJ	Annotated	Mild	
CCOc1cc(/C=C/c2nc3cc(C#N)c(C#N)cc3[nH]2)cc(Br)c1OC	ZINC000586978028	HJ	Annotated	Mild	
COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3ccc(Br)c(OC)c3)nc2c1	ZINC000586978080	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3ccc(Br)c(OC)c3)nc2c1	ZINC000586978083	HJ	Annotated	Anodyne	
Sc1nc(S)c2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2n1	ZINC000586978125	HJ	Annotated	Anodyne	
COc1cc(/C=C\c2nc3ccc(Br)nc3[nH]2)ccc1Br	ZINC000586978236	HJ	Annotated	Anodyne	
Clc1ccc(OCc2nc3cc(Br)cnc3[nH]2)c(Br)c1	ZINC000586978253	HJ	Annotated	Anodyne	
COc1cc(/C=C/c2nc3ccc(Br)nc3[nH]2)ccc1Br	ZINC000586978262	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c2c1	ZINC000586978263	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c2c1	ZINC000586978264	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3cccc(C(=O)O)c3[nH]2)cc(Br)c1OC	ZINC000586978385	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3cccc(C(=O)O)c3[nH]2)cc(Br)c1OC	ZINC000586978386	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3cccc([N+](=O)[O-])c3[nH]2)cc(Br)c1OC	ZINC000586978393	HJ	Annotated	Bother	
CCOc1cc(/C=C\c2nc3cccc([N+](=O)[O-])c3[nH]2)cc(Br)c1OC	ZINC000586978394	HJ	Annotated	Bother	
CCOc1cc(/C=C\c2nc3cc4cn[nH]c4cc3[nH]2)cc(Br)c1OC	ZINC000586978453	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3cc4cn[nH]c4cc3[nH]2)cc(Br)c1OC	ZINC000586978454	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3ccc(C(=O)O)cc3[nH]2)cc(Br)c1OC	ZINC000586978461	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3ccc(C(=O)O)cc3[nH]2)cc(Br)c1OC	ZINC000586978462	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3cc(Cl)cnc3[nH]2)cc(Br)c1OC	ZINC000586978473	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3cc(Cl)cnc3[nH]2)cc(Br)c1OC	ZINC000586978474	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(Br)c1OC	ZINC000586978492	HJ	Annotated	Bother	
CCOc1cc(/C=C\c2nc3c(C)nc(C)cc3[nH]2)cc(Br)c1OC	ZINC000586978554	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3c(C)nc(C)cc3[nH]2)cc(Br)c1OC	ZINC000586978555	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3ccnc(Cl)c3[nH]2)cc(Br)c1OC	ZINC000586978638	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3ccnc(Cl)c3[nH]2)cc(Br)c1OC	ZINC000586978639	HJ	Annotated	Anodyne	
Cc1ncc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(C)c1Br	ZINC000586978678	HJ	Annotated	Anodyne	
Cc1nn(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)c(C)c1Br	ZINC000586978692	HJ	Annotated	Anodyne	
Cc1ncc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c(C)c1Br	ZINC000586978698	HJ	Annotated	Mild	
Cc1nn(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(C)c1Br	ZINC000586978722	HJ	Annotated	Anodyne	
Cc1nn(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(C)c1Br	ZINC000586978770	HJ	Annotated	Clean	
Cc1ncc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(C)c1Br	ZINC000586978773	HJ	Annotated	Anodyne	
Cc1nn(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)c(C)c1Br	ZINC000586978853	HJ	Annotated	Anodyne	
Oc1c(Br)ccc2nc(-c3ccnc(Cl)c3Br)[nH]c12	ZINC000586978860	HJ	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1Br	ZINC000586978871	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(-c3ccnc(Cl)c3Br)nc2cc1Br	ZINC000586978872	HJ	Annotated	Anodyne	
Fc1cc2[nH]c(-c3ccnc(Cl)c3Br)nc2cc1Br	ZINC000586978900	HJ	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3ccnc(Cl)c3Br)nc2c1	ZINC000586978901	HJ	Annotated	Mild	
Cc1nn(Cc2nc3cc(Cl)cc(Br)c3[nH]2)c(C)c1Br	ZINC000586978985	HJ	Annotated	Anodyne	
Cc1nn(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)c(C)c1Br	ZINC000586978995	HJ	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1Br	ZINC000586979002	HJ	Annotated	Anodyne	
Fc1cc(Br)c2[nH]c(-c3ccnc(Cl)c3Br)nc2c1	ZINC000586979026	HJ	Annotated	Anodyne	
Cc1nn(Cc2nc3cc(Br)cc(Cl)c3[nH]2)c(C)c1Br	ZINC000586979039	HJ	Annotated	Anodyne	
Fc1c(Br)ccc2nc(-c3ccnc(Cl)c3Br)[nH]c12	ZINC000586979104	HJ	Annotated	Anodyne	
Clc1nccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1Br	ZINC000586979151	HJ	Annotated	Anodyne	
Cc1nn(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(C)c1Br	ZINC000586979230	HJ	Annotated	Anodyne	
Cc1nn(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(C)c1Br	ZINC000586979277	HJ	Annotated	Anodyne	
COc1cc(Br)cc(C=O)c1OCc1nc2ccc(Cl)c(C)c2[nH]1	ZINC000586979364	HJ	Annotated	Anodyne	
Cc1c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc(Br)cc1[N+](=O)[O-]	ZINC000586979452	HJ	Annotated	Bother	
Cc1c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc(Br)cc1[N+](=O)[O-]	ZINC000586979489	HJ	Annotated	Bother	
COc1cc(Br)cc(C=O)c1OCc1nc2cc(Cl)cc(C)c2[nH]1	ZINC000586979490	HJ	Annotated	Anodyne	
COc1cc(Br)cc(C=O)c1OCc1nc2cc(C)c(Cl)cc2[nH]1	ZINC000586979506	HJ	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1Br	ZINC000586979635	HJ	Annotated	Anodyne	
Cc1ncc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(C)c1Br	ZINC000586979645	HJ	Annotated	Anodyne	
Cc1c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc(Br)cc1[N+](=O)[O-]	ZINC000586979711	HJ	Annotated	Bother	
COC(=O)c1cc(Cl)c2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3C)nc2c1	ZINC000586979737	HJ	Annotated	Bother	
Cc1c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc(Br)cc1[N+](=O)[O-]	ZINC000586979756	HJ	Annotated	Bother	
COc1cc(Br)cc(C=O)c1OCc1nc2ccc3c(c2[nH]1)CCCC3	ZINC000586979806	HJ	Annotated	Anodyne	
Nc1ccc(-c2ccc3nc(-c4ccnc(Cl)c4Br)[nH]c3c2)cc1N	ZINC000586979840	HJ	Annotated	Anodyne	
N#Cc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1C(F)(F)F	ZINC000586979857	HJ	Annotated	Mild	
COc1cc(Br)cc(C=O)c1OCc1nc2cc(Cl)cc(F)c2[nH]1	ZINC000586979904	HJ	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1Br	ZINC000586979939	HJ	Annotated	Anodyne	
Fc1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1Br	ZINC000586979942	HJ	Annotated	Anodyne	
Cc1c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc(Br)cc1[N+](=O)[O-]	ZINC000586979973	HJ	Annotated	Bother	
CCOc1n[nH]c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1Br	ZINC000586979975	HJ	Annotated	Anodyne	
Cc1c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc(Br)cc1[N+](=O)[O-]	ZINC000586980021	HJ	Annotated	Bother	
COc1cc(Br)cc(C=O)c1OCc1nc2ccc(OC(C)C)cc2[nH]1	ZINC000586980109	HJ	Annotated	Anodyne	
Cc1c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc(Br)cc1[N+](=O)[O-]	ZINC000586980163	HJ	Annotated	Bother	
Cc1c(-c2nc3cccc(Br)c3[nH]2)cc(Br)cc1[N+](=O)[O-]	ZINC000586980179	HJ	Annotated	Bother	
CCOc1n[nH]c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1Br	ZINC000586980204	HJ	Annotated	Anodyne	
Cc1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc(Br)cc1[N+](=O)[O-]	ZINC000586980223	HJ	Annotated	Bother	
COc1cc(Br)cc(C=O)c1OCc1nc2cc3ccccc3cc2[nH]1	ZINC000586980263	HJ	Annotated	Anodyne	
Cc1c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc(Br)cc1[N+](=O)[O-]	ZINC000586980335	HJ	Annotated	Bother	
Cc1c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc(Br)cc1[N+](=O)[O-]	ZINC000586980357	HJ	Annotated	Bother	
Cc1c(-c2nc3ccc(Br)cc3[nH]2)cc(Br)cc1[N+](=O)[O-]	ZINC000586980438	HJ	Annotated	Bother	
COc1cc(Br)cc(C=O)c1OCc1nc2cc(Cl)c(F)cc2[nH]1	ZINC000586980523	HJ	Annotated	Anodyne	
Cc1cc(Br)ccc1-n1cccc1-c1nc2cc3[nH]c(O)nc3cc2[nH]1	ZINC000586980569	HJ	Annotated	Anodyne	
Cc1cc(Br)ccc1-n1cccc1-c1nc2cc3c(cc2[nH]1)OCCO3	ZINC000586980582	HJ	Annotated	Anodyne	
Cc1cc(Br)ccc1OCc1nc2c(F)cnc(Br)c2[nH]1	ZINC000586980607	HJ	Annotated	Anodyne	
Cc1cc(Br)ccc1-n1cccc1-c1nc2c(C(=O)O)cc(F)cc2[nH]1	ZINC000586980690	HJ	Annotated	Anodyne	
Cc1cc(Br)ccc1-n1cccc1-c1nc2cc([C@H](N)N=O)ccc2[nH]1	ZINC000586980735	HJ	Annotated	Anodyne	
Cc1cc(Br)ccc1-n1cccc1-c1nc2cc([C@@H](N)N=O)ccc2[nH]1	ZINC000586980736	HJ	Annotated	Anodyne	
Cc1cc(Br)ccc1OCc1nc2ccc(Br)c(O)c2[nH]1	ZINC000586980737	HJ	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(-c3cc(Br)ccc3OCCC(C)C)nc12	ZINC000586980765	HJ	Annotated	Anodyne	
CC(C)CCOc1ccc(Br)cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1	ZINC000586980965	HJ	Annotated	Bother	
COC(=O)c1cc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2cn1	ZINC000586981019	HJ	Annotated	Anodyne	
Cc1cc(Br)ccc1-n1cccc1-c1nc2nc(C(F)(F)F)ncc2[nH]1	ZINC000586981105	HJ	Annotated	Anodyne	
Cc1cc(Br)ccc1OCc1nc2c(C)c(Br)cnc2[nH]1	ZINC000586981171	HJ	Annotated	Anodyne	
CCCCCCOc1ccc(Br)cc1-c1nc2c(O)nc(S)nc2[nH]1	ZINC000586981212	HJ	Annotated	Anodyne	
Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(F)c(C(=O)O)cc2[nH]1	ZINC000586981291	HJ	Annotated	Anodyne	
Cc1cc(Br)ccc1-n1cccc1-c1nc2cc3c(cc2[nH]1)CCC(=O)N3	ZINC000586981295	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(COc3ccc(Br)cc3C)nc2c1	ZINC000586981308	HJ	Annotated	Anodyne	
CC(C)CCOc1ccc(Br)cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1	ZINC000586981351	HJ	Annotated	Bother	
COC(=O)c1ccc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2n1	ZINC000586981359	HJ	Annotated	Anodyne	
O=Cc1cc(Br)cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1	ZINC000586981412	HJ	Annotated	Bother	
Cc1cc(Br)ccc1OCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000586981572	HJ	Annotated	Anodyne	
Cc1cc(Br)ccc1OCc1nc2cc(-n3cccn3)c(F)cc2[nH]1	ZINC000586981627	HJ	Annotated	Anodyne	
Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(C(=O)N(C)C)ccc2[nH]1	ZINC000586981675	HJ	Annotated	Anodyne	
CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(CCO)cc2[nH]1	ZINC000586981735	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2n1	ZINC000586981765	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2n1	ZINC000586981766	HJ	Annotated	Anodyne	
O=Cc1cc(Br)cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1	ZINC000586981813	HJ	Annotated	Anodyne	
Cc1cc(Br)ccc1OCc1nc2cc(C#N)cc(Br)c2[nH]1	ZINC000586981814	HJ	Annotated	Mild	
Cc1cc(Br)ccc1OCc1nc2cc(Br)c(C)nc2[nH]1	ZINC000586982009	HJ	Annotated	Anodyne	
O=Cc1cc(Br)cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1	ZINC000586982035	HJ	Annotated	Anodyne	
Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(C#N)c(C#N)cc2[nH]1	ZINC000586982046	HJ	Annotated	Mild	
Nc1ccc(-c2ccc3nc(-c4cc(Br)cc(C=O)c4)[nH]c3c2)cc1N	ZINC000586982270	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cn1	ZINC000586982362	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cn1	ZINC000586982363	HJ	Annotated	Anodyne	
CCCCCCOc1ccc(Br)cc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1	ZINC000586982405	HJ	Annotated	Anodyne	
CC(C)CCOc1ccc(Br)cc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1	ZINC000586982412	HJ	Annotated	Anodyne	
O=Cc1cc(Br)cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1	ZINC000586982650	HJ	Annotated	Anodyne	
O=Cc1cc(Br)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1	ZINC000586982653	HJ	Annotated	Bother	
CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1	ZINC000586982962	HJ	Annotated	Anodyne	
CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1	ZINC000586982964	HJ	Annotated	Anodyne	
O=Cc1cc(Br)cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1	ZINC000586982965	HJ	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c([C@H](Cc3cccc(Br)c3)CC(C)C)nc12	ZINC000586983096	HJ	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c([C@@H](Cc3cccc(Br)c3)CC(C)C)nc12	ZINC000586983097	HJ	Annotated	Anodyne	
Nc1ccc(Oc2ccc3nc([C@H](N)Cc4cccc(Br)c4)[nH]c3c2)cc1	ZINC000586983350	HJ	Annotated	Clean	
Nc1ccc(Oc2ccc3nc([C@@H](N)Cc4cccc(Br)c4)[nH]c3c2)cc1	ZINC000586983351	HJ	Annotated	Clean	
CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(C(N)=O)cc2[nH]1	ZINC000586983375	HJ	Annotated	Anodyne	
CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(C(N)=O)cc2[nH]1	ZINC000586983378	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12	ZINC000586983385	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12	ZINC000586983386	HJ	Annotated	Anodyne	
Cc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cc1Br	ZINC000586983561	HJ	Annotated	Anodyne	
Cc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cc1Br	ZINC000586983562	HJ	Annotated	Anodyne	
N[C@H](Cc1cccc(Br)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1	ZINC000586983617	HJ	Annotated	Anodyne	
N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1	ZINC000586983618	HJ	Annotated	Anodyne	
N[C@@H](Cc1cccc(Br)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000586983642	HJ	Annotated	Bother	
N[C@H](Cc1cccc(Br)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000586983643	HJ	Annotated	Bother	
N[C@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1	ZINC000586983685	HJ	Annotated	Anodyne	
N[C@@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1	ZINC000586983686	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12	ZINC000586983706	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12	ZINC000586983708	HJ	Annotated	Anodyne	
Cc1cc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2cc1[N+](=O)[O-]	ZINC000586983793	HJ	Annotated	Bother	
Cc1cc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2cc1[N+](=O)[O-]	ZINC000586983795	HJ	Annotated	Bother	
Cc1cc(Br)c2[nH]c([C@H](N)Cc3cccc(Br)c3)nc2c1	ZINC000586983848	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc2c1	ZINC000586983849	HJ	Annotated	Anodyne	
N[C@H](Cc1cccc(Br)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1	ZINC000586983905	HJ	Annotated	Anodyne	
N[C@@H](Cc1cccc(Br)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1	ZINC000586983906	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc3c(c2[nH]1)CCCC3	ZINC000586984097	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2cc(C)c(Cl)cc2[nH]1)c1ccc(Br)cc1	ZINC000586984163	HJ	Annotated	Anodyne	
CC(=O)N[C@H](Cc1nc2cc(C)c(Cl)cc2[nH]1)c1ccc(Br)cc1	ZINC000586984164	HJ	Annotated	Anodyne	
COc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1C	ZINC000586984245	HJ	Annotated	Anodyne	
COc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1C	ZINC000586984250	HJ	Annotated	Anodyne	
N[C@@H](Cc1cccc(Br)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000586984291	HJ	Annotated	Bother	
N[C@H](Cc1cccc(Br)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000586984293	HJ	Annotated	Bother	
Cc1c(Br)cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1C	ZINC000586984338	HJ	Annotated	Anodyne	
Cc1c(Br)cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1C	ZINC000586984343	HJ	Annotated	Anodyne	
COc1cc(OC)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1	ZINC000586984346	HJ	Annotated	Anodyne	
COc1cc(OC)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1	ZINC000586984353	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3ncccc3Br)nc3ccc(O)c1c23	ZINC000586984362	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3cc(Br)ccn3)nc3ccc(O)c1c23	ZINC000586984419	HJ	Annotated	Anodyne	
COc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1F	ZINC000586984576	HJ	Annotated	Anodyne	
COc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1F	ZINC000586984579	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1F	ZINC000586984780	HJ	Annotated	Bother	
O=[N+]([O-])c1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1F	ZINC000586984786	HJ	Annotated	Bother	
Fc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c(F)c1F	ZINC000586984789	HJ	Annotated	Anodyne	
Fc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c(F)c1F	ZINC000586984792	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(Cl)c(C)c2[nH]1	ZINC000586984851	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2ccc(Cl)c(C)c2[nH]1)c1ccc(Br)cc1	ZINC000586984928	HJ	Annotated	Anodyne	
CC(=O)N[C@H](Cc1nc2ccc(Cl)c(C)c2[nH]1)c1ccc(Br)cc1	ZINC000586984930	HJ	Annotated	Anodyne	
O=C(CCl)Nc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586984939	HJ	Annotated	Reactive	
CCn1ncc(Br)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586984967	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3cc(Br)ncc3O)nc3ccc(O)c1c23	ZINC000586984968	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(Br)cc1	ZINC000586985002	HJ	Annotated	Anodyne	
CC(=O)N[C@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(Br)cc1	ZINC000586985003	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c(Cc3cncc(Br)c3)cnc3ccc(O)c1c23	ZINC000586985040	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Cl)cc(C)c2[nH]1	ZINC000586985159	HJ	Annotated	Anodyne	
CCOC(=O)C(F)(F)[C@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O	ZINC000586985195	HJ	Annotated	Anodyne	
CCOC(=O)C(F)(F)[C@@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O	ZINC000586985208	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc3nc(C)ccc3c2[nH]1	ZINC000586985268	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Cl)cc(F)c2[nH]1	ZINC000586985275	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3cncc(Br)c3)nc3ccc(O)c1c23	ZINC000586985327	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3ccncc3Br)nc3ccc(O)c1c23	ZINC000586985380	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3ccc(Br)cn3)nc3ccc(O)c1c23	ZINC000586985438	HJ	Annotated	Anodyne	
Fc1cnc(Cl)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc12	ZINC000586985543	HJ	Annotated	Anodyne	
Fc1cnc(Cl)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc12	ZINC000586985544	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(Br)cc1	ZINC000586985572	HJ	Annotated	Anodyne	
CC(=O)N[C@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(Br)cc1	ZINC000586985573	HJ	Annotated	Anodyne	
Cc1cnc(Cl)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc12	ZINC000586985580	HJ	Annotated	Anodyne	
Cc1cnc(Cl)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc12	ZINC000586985581	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(Br)cc1	ZINC000586985588	HJ	Annotated	Anodyne	
CC(=O)N[C@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(Br)cc1	ZINC000586985589	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3ccc(C(F)(F)F)nc3O)nc3ccc(O)c1c23	ZINC000586985730	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(Cc3c([N+](=O)[O-])ccc(F)c3F)nc3ccc(O)c1c23	ZINC000586985898	HJ	Annotated	Bother	
O=C(O)c1c(F)ccc(F)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586985986	HJ	Annotated	Anodyne	
COCCOc1cccc(F)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586985998	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3cccnc3Br)nc3ccc(O)c1c23	ZINC000586986199	HJ	Annotated	Anodyne	
O=C(O)c1ncc(Cl)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586986254	HJ	Annotated	Anodyne	
O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1cc(Cl)ccc1O	ZINC000586986328	HJ	Annotated	Anodyne	
COc1cc2c(cc1[N+](=O)[O-])-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O	ZINC000586986526	HJ	Annotated	Bother	
Nc1nc(C(F)(F)F)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1	ZINC000586986574	HJ	Annotated	Anodyne	
COc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1OC	ZINC000586986626	HJ	Annotated	Anodyne	
COc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1OC	ZINC000586986627	HJ	Annotated	Anodyne	
CCc1c(-c2cc3c(cc2N)OCCO3)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586986631	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2ccc3nc(C)ccc3c2[nH]1)c1ccc(Br)cc1	ZINC000586986633	HJ	Annotated	Anodyne	
CC(=O)N[C@H](Cc1nc2ccc3nc(C)ccc3c2[nH]1)c1ccc(Br)cc1	ZINC000586986635	HJ	Annotated	Anodyne	
O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1cccc(Cl)c1	ZINC000586986726	HJ	Annotated	Anodyne	
O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccc(Cl)cc1	ZINC000586986784	HJ	Annotated	Anodyne	
CCn1cc(Br)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1	ZINC000586986785	HJ	Annotated	Anodyne	
COc1ccc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])c1	ZINC000586986842	HJ	Annotated	Bother	
O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)NC1CCCCCCC1	ZINC000586986856	HJ	Annotated	Anodyne	
CCc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(O)c([N+](=O)[O-])c1	ZINC000586986861	HJ	Annotated	Bother	
COc1ccc2c(c1[N+](=O)[O-])-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O	ZINC000586986868	HJ	Annotated	Bother	
O=C(O)Cc1c(-c2ccc(F)c(F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586986892	HJ	Annotated	Anodyne	
CCOC(=O)CCc1c(C(F)(F)F)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586986901	HJ	Annotated	Anodyne	
O=C(O)Cc1c(-c2cc(F)ccc2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586986926	HJ	Annotated	Anodyne	
CCOC(=O)c1nc2ccc(O)c3c2c(c1CCCCCl)-c1ccccc1C3=O	ZINC000586986962	HJ	Annotated	Reactive	
CN(CC(F)(F)F)[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O	ZINC000586986971	HJ	Annotated	Anodyne	
CN(CC(F)(F)F)[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O	ZINC000586986976	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3ccc(Br)nc3)nc3ccc(O)c1c23	ZINC000586987001	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3cccc(Br)n3)nc3ccc(O)c1c23	ZINC000586987002	HJ	Annotated	Anodyne	
CC(=O)C(=NNc1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586987015	HJ	Annotated	Mild	
O=C(O)Cn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2ccccc21	ZINC000586987138	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1	ZINC000586987157	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1	ZINC000586987159	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]3c1ncc2c(Cl)nccn12	ZINC000586987233	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]3c1ncc2c(Cl)nccn12	ZINC000586987236	HJ	Annotated	Anodyne	
COc1cc(F)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1OC	ZINC000586987292	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC(NNc1ccccc1)=CC3	ZINC000586987302	HJ	Annotated	Anodyne	
CCc1c(CNC(=O)OC(C)(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586987341	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3ccc(O)c1c23	ZINC000586987349	HJ	Annotated	Bother	
CCc1ccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1	ZINC000586987355	HJ	Annotated	Anodyne	
Cc1nc(N2CCCCC2)ncc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586987573	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](NCc1ccccc1)C3	ZINC000586987595	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](NCc1ccccc1)C3	ZINC000586987596	HJ	Annotated	Anodyne	
O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)NC1CCCCCC1	ZINC000586987671	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc2c(c1)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586987678	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCc1ccc([N+](=O)[O-])cc1C3	ZINC000586987710	HJ	Annotated	Bother	
Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnn1-c1ccccn1	ZINC000586987735	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3ccc(N4CCOC4=O)cc3)nc3ccc(O)c1c23	ZINC000586987781	HJ	Annotated	Anodyne	
CN1C(=O)/C(=C/c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2ccccc21	ZINC000586987784	HJ	Annotated	Anodyne	
CN1C(=O)/C(=C\c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2ccccc21	ZINC000586987785	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3ccc(N4CCC(O)CC4)cc3)nc3ccc(O)c1c23	ZINC000586987807	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O	ZINC000586987854	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O	ZINC000586987855	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCc1cc([N+](=O)[O-])ccc1C3	ZINC000586987873	HJ	Annotated	Bother	
O=N[C@@H](C(=O)Nc1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586987909	HJ	Annotated	Anodyne	
O=N[C@H](C(=O)Nc1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586987911	HJ	Annotated	Anodyne	
CCOC(=O)CCc1c(-c2ccccn2)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586987917	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3cccc(N4CCOC4=O)c3)nc3ccc(O)c1c23	ZINC000586987984	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3ccccc3N3CCOC3=O)nc3ccc(O)c1c23	ZINC000586988004	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O	ZINC000586988108	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O	ZINC000586988109	HJ	Annotated	Anodyne	
CC(=O)Nc1cccc(C(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1	ZINC000586988192	HJ	Annotated	Anodyne	
Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nnn1-c1ccc(F)cc1	ZINC000586988194	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1C	ZINC000586988246	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3cccc(N4CCCC4=O)c3)nc3ccc(O)c1c23	ZINC000586988287	HJ	Annotated	Anodyne	
COc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc(F)cc1[N+](=O)[O-]	ZINC000586988308	HJ	Annotated	Bother	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@](O)(c1cccc(F)c1)C3	ZINC000586988310	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@](O)(c1cccc(F)c1)C3	ZINC000586988311	HJ	Annotated	Anodyne	
CN(CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(=O)OC(C)(C)C	ZINC000586988317	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3cc(F)cc([N+](=O)[O-])c3O)nc3ccc(O)c1c23	ZINC000586988326	HJ	Annotated	Bother	
O=C1c2ccccc2-c2cc(-c3ccc(N4CCCC4)nc3F)nc3ccc(O)c1c23	ZINC000586988329	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3ccc(N4CCCC4=O)cc3)nc3ccc(O)c1c23	ZINC000586988350	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3c(O)nc4ccccc4c3O)nc3ccc(O)c1c23	ZINC000586988391	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O	ZINC000586988429	HJ	Annotated	Anodyne	
COc1nc(N2CCCC2)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586988430	HJ	Annotated	Anodyne	
CN1C(=O)CCc2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)ccc21	ZINC000586988439	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc([C@@H]3CN(Cc4ccccc4)CCO3)nc3ccc(O)c1c23	ZINC000586988448	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc([C@H]3CN(Cc4ccccc4)CCO3)nc3ccc(O)c1c23	ZINC000586988451	HJ	Annotated	Anodyne	
Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nnn1-c1ccccc1	ZINC000586988456	HJ	Annotated	Anodyne	
CCc1ccccc1NC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586988557	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3cn(Cc4ccc(F)cc4)nn3)nc3ccc(O)c1c23	ZINC000586988558	HJ	Annotated	Anodyne	
COC(=O)Cc1c(-c2ccc(F)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586988579	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3cc(F)nc(N4CCCC4)c3)nc3ccc(O)c1c23	ZINC000586988580	HJ	Annotated	Anodyne	
O=C(O)Cc1c(-c2ccc(F)cc2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586988593	HJ	Annotated	Anodyne	
CCOC(=O)N1C=C(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CCC1	ZINC000586988618	HJ	Annotated	Anodyne	
CN1CCN(c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)CC1	ZINC000586988626	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CC[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1	ZINC000586988669	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CC[C@@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1	ZINC000586988670	HJ	Annotated	Anodyne	
Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nnn1Cc1ccccc1	ZINC000586988671	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CCCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1	ZINC000586988675	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C=C(c1cccc(CO)n1)CC3	ZINC000586988701	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3ccc(O)c4nc(O)ccc34)nc3ccc(O)c1c23	ZINC000586988704	HJ	Annotated	Anodyne	
C[C@H](Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)NC(=O)OC(C)(C)C	ZINC000586988727	HJ	Annotated	Anodyne	
C[C@@H](Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)NC(=O)OC(C)(C)C	ZINC000586988728	HJ	Annotated	Anodyne	
O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccc(F)c(F)c1	ZINC000586988734	HJ	Annotated	Anodyne	
COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1NC(C)=O	ZINC000586988748	HJ	Annotated	Anodyne	
O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccc(F)cc1F	ZINC000586988750	HJ	Annotated	Anodyne	
Cc1cccc(C)c1NC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586988770	HJ	Annotated	Anodyne	
C[C@H](NC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1	ZINC000586988784	HJ	Annotated	Anodyne	
C[C@@H](NC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1	ZINC000586988785	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O	ZINC000586988801	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O	ZINC000586988802	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@@H]2c3nc4ccc(O)c5c4c(c3[C@@H]2C1)-c1ccccc1C5=O	ZINC000586988838	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]2C1	ZINC000586988839	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@H]2c3nc4ccc(O)c5c4c(c3[C@@H]2C1)-c1ccccc1C5=O	ZINC000586988840	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@H]2c3nc4ccc(O)c5c4c(c3[C@H]2C1)-c1ccccc1C5=O	ZINC000586988841	HJ	Annotated	Anodyne	
CC(=O)N1C[C@@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)-c3cccc1c32	ZINC000586988870	HJ	Annotated	Anodyne	
CC(=O)N1C[C@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)-c3cccc1c32	ZINC000586988871	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C	ZINC000586988889	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CN(Cc2ccccc2)C[C@H]1C3	ZINC000586988918	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C3	ZINC000586988919	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1CN(Cc2ccccc2)C[C@H]1C3	ZINC000586988920	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1CN(Cc2ccccc2)C[C@@H]1C3	ZINC000586988923	HJ	Annotated	Anodyne	
C#CCNC(=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1	ZINC000586988954	HJ	Annotated	Mild	
O=C1Cc2nc3ccc(O)c4c3c(c2[C@@H](c2ccc(F)cc2)C1)-c1ccccc1C4=O	ZINC000586988955	HJ	Annotated	Anodyne	
O=C1Cc2nc3ccc(O)c4c3c(c2[C@H](c2ccc(F)cc2)C1)-c1ccccc1C4=O	ZINC000586988956	HJ	Annotated	Anodyne	
O=C(O)Cc1c(-c2cc(F)cc(F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586988957	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC(NNc1ccc(F)cc1)=CC3	ZINC000586989102	HJ	Annotated	Anodyne	
Cc1cc(C)cc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1	ZINC000586989109	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)c1	ZINC000586989123	HJ	Annotated	Anodyne	
O=C(O)CCc1c(-c2ccc(F)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586989148	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)cc1	ZINC000586989187	HJ	Annotated	Anodyne	
CCOC(=O)c1nc2ccc(O)c3c2c(c1Cc1ccccc1)-c1ccccc1C3=O	ZINC000586989203	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)[C@]1(C)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O	ZINC000586989220	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)[C@@]1(C)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O	ZINC000586989221	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(Cc3nc(-c4ccccc4)no3)nc3ccc(O)c1c23	ZINC000586989238	HJ	Annotated	Anodyne	
CCOC(=O)c1[nH]c2c(c1C)-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O	ZINC000586989323	HJ	Annotated	Anodyne	
O=C(O)c1ccc2c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c[nH]c2c1	ZINC000586989336	HJ	Annotated	Anodyne	
O=C1O/C(=C/c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)Nc2ccccc21	ZINC000586989398	HJ	Annotated	Anodyne	
O=C1O/C(=C\c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)Nc2ccccc21	ZINC000586989399	HJ	Annotated	Anodyne	
CCOC(=O)c1[nH]c(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C	ZINC000586989408	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C1CCCC1	ZINC000586989428	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C1CCCC1	ZINC000586989429	HJ	Annotated	Anodyne	
CCOC(=O)Cc1nc2ccc(O)c3c2c(c1C1CCCC1)-c1ccccc1C3=O	ZINC000586989433	HJ	Annotated	Anodyne	
Nc1ccc2[nH]c3c(c2c1)CCc1c-3nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586989456	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O	ZINC000586989471	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O	ZINC000586989472	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@]1(C3)C(=O)Nc2ccccc21	ZINC000586989649	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@]1(C3)C(=O)Nc2ccccc21	ZINC000586989650	HJ	Annotated	Anodyne	
CCOC(=O)Cc1cccc(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)c1	ZINC000586989695	HJ	Annotated	Anodyne	
Nc1ccc2c3c([nH]c2c1)-c1nc2ccc(O)c4c2c(c1CC3)-c1ccccc1C4=O	ZINC000586989771	HJ	Annotated	Anodyne	
CCOC(=O)Cc1nc2ccc(O)c3c2c(c1CCC(C)C)-c1ccccc1C3=O	ZINC000586989865	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@](CO)(c1ccccc1)C3	ZINC000586989904	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@](CO)(c1ccccc1)C3	ZINC000586989908	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586989919	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586989920	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586989980	HJ	Annotated	Anodyne	
O=C(O)Cc1c(-c2ccc3c(c2)CCC3)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586990044	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1	ZINC000586990046	HJ	Annotated	Anodyne	
O=C(O)CCOc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1	ZINC000586990113	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1)C(=O)O	ZINC000586990121	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1)C(=O)O	ZINC000586990126	HJ	Annotated	Anodyne	
CCOC(=O)c1c(C)[nH]c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C	ZINC000586990216	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@H](CC(=O)O)c1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586990370	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@H](CC(=O)O)c1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586990372	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]3C(=O)OCc1ccccc1	ZINC000586990375	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]3C(=O)OCc1ccccc1	ZINC000586990376	HJ	Annotated	Anodyne	
Cc1c(-c2ccc(OC[C@H]3CO3)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586990413	HJ	Annotated	Anodyne	
Cc1c(-c2ccc(OC[C@@H]3CO3)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586990414	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(CCc3ccc(OC[C@H]4CO4)cc3)nc3ccc(O)c1c23	ZINC000586990422	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(CCc3ccc(OC[C@@H]4CO4)cc3)nc3ccc(O)c1c23	ZINC000586990424	HJ	Annotated	Anodyne	
CCOC(=O)Cc1nc2ccc(O)c3c2c(c1Cc1ccccc1)-c1ccccc1C3=O	ZINC000586990550	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1	ZINC000586990560	HJ	Annotated	Anodyne	
C[C@H](OC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1	ZINC000586990624	HJ	Annotated	Anodyne	
C[C@@H](OC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1	ZINC000586990626	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(CCc3ccc4c(c3)OCCO4)nc3ccc(O)c1c23	ZINC000586990633	HJ	Annotated	Anodyne	
COc1ccc(OC)c2c1CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586990771	HJ	Annotated	Anodyne	
COc1cc(OC)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1OC	ZINC000586990774	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2CC(=O)Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)cc1	ZINC000586990860	HJ	Annotated	Anodyne	
COc1ccc([C@H]2CC(=O)Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)cc1	ZINC000586990861	HJ	Annotated	Anodyne	
CC(=O)Oc1ccc(Cc2c(C)nc3ccc(O)c4c3c2-c2ccccc2C4=O)cc1	ZINC000586990890	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c(CCCC3OCCO3)c(C3CC3)nc3ccc(O)c1c23	ZINC000586990945	HJ	Annotated	Anodyne	
Cc1nc2ccc(O)c3c2c(c1Cc1ccc(OC[C@@H]2CO2)cc1)-c1ccccc1C3=O	ZINC000586991017	HJ	Annotated	Anodyne	
Cc1nc2ccc(O)c3c2c(c1Cc1ccc(OC[C@H]2CO2)cc1)-c1ccccc1C3=O	ZINC000586991021	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@](C(=O)O)(c1ccccc1)C3	ZINC000586991046	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@](C(=O)O)(c1ccccc1)C3	ZINC000586991048	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]3Cc1ccc2c(c1)OCO2	ZINC000586991049	HJ	Annotated	Anodyne	
CC(=O)[C@@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1C(=O)O	ZINC000586991052	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]3Cc1ccc2c(c1)OCO2	ZINC000586991053	HJ	Annotated	Anodyne	
CC(=O)[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1C(=O)O	ZINC000586991055	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c(Cc3cccc(C4OCCO4)c3)cnc3ccc(O)c1c23	ZINC000586991078	HJ	Annotated	Anodyne	
COc1ccccc1[C@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O	ZINC000586991433	HJ	Annotated	Anodyne	
COc1ccccc1[C@@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O	ZINC000586991434	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(-c4ccc(C(F)(F)C(=O)O)n4C)nc13)-c1ccccc1C2=O	ZINC000586991775	HJ	Annotated	Anodyne	
C/C=C\C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@H]1CC(=O)OC	ZINC000586991884	HJ	Annotated	Anodyne	
C/C=C\C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@@H]1CC(=O)OC	ZINC000586991886	HJ	Annotated	Anodyne	
C/C=C/C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@@H]1CC(=O)OC	ZINC000586991892	HJ	Annotated	Anodyne	
C/C=C/C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@H]1CC(=O)OC	ZINC000586991896	HJ	Annotated	Anodyne	
COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1OC(C)=O	ZINC000586992025	HJ	Annotated	Anodyne	
COC(=O)[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)-c2ccccc21	ZINC000586992095	HJ	Annotated	Anodyne	
COC(=O)[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)-c2ccccc21	ZINC000586992096	HJ	Annotated	Anodyne	
CC(=O)Oc1ccc(CCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1	ZINC000586992136	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(-c4c(Br)cnn4C)nc13)-c1ccccc1C2=O	ZINC000586992398	HJ	Annotated	Anodyne	
CCOC(=O)C(F)(F)[C@H]1Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O	ZINC000586992540	HJ	Annotated	Anodyne	
CCOC(=O)C(F)(F)[C@@H]1Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O	ZINC000586992541	HJ	Annotated	Anodyne	
COC(=O)c1cccc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)c1O	ZINC000586992579	HJ	Annotated	Anodyne	
CCOC(=O)C(F)(F)[C@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O	ZINC000586992595	HJ	Annotated	Anodyne	
CCOC(=O)C(F)(F)[C@@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O	ZINC000586992597	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(C)CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O	ZINC000586992607	HJ	Annotated	Anodyne	
COc1cc(OC)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(OC)c1	ZINC000586992609	HJ	Annotated	Anodyne	
C/C=C/C[C@@H]1Cc2nc3ccc(O)c4c3c(c2[C@H]1CC(=O)OC)-c1ccccc1C4=O	ZINC000586992612	HJ	Annotated	Anodyne	
C/C=C/C[C@@H]1Cc2nc3ccc(O)c4c3c(c2[C@@H]1CC(=O)OC)-c1ccccc1C4=O	ZINC000586992614	HJ	Annotated	Anodyne	
C/C=C\C[C@@H]1Cc2nc3ccc(O)c4c3c(c2[C@@H]1CC(=O)OC)-c1ccccc1C4=O	ZINC000586992616	HJ	Annotated	Anodyne	
C/C=C\C[C@@H]1Cc2nc3ccc(O)c4c3c(c2[C@H]1CC(=O)OC)-c1ccccc1C4=O	ZINC000586992618	HJ	Annotated	Anodyne	
COC(=O)CCc1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586992729	HJ	Annotated	Anodyne	
COC(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586992767	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O	ZINC000586992782	HJ	Annotated	Anodyne	
Cc1nc2ccc(O)c3c2c(c1Cc1ccc2c(c1)OCCO2)-c1ccccc1C3=O	ZINC000586992846	HJ	Annotated	Anodyne	
COC(=O)c1oc2c(c1C)-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O	ZINC000586992865	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3ccc(N4CCOCC4)s3)nc3ccc(O)c1c23	ZINC000586992895	HJ	Annotated	Anodyne	
CCOC(=O)C(Cl)(Cl)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2	ZINC000586992912	HJ	Annotated	Anodyne	
CCOC(=O)Cc1c(-c2cccs2)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586993025	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3c(O)ccc4ccc(=O)oc34)nc3ccc(O)c1c23	ZINC000586993059	HJ	Annotated	Anodyne	
Nc1sc2c(c1-c1cc3c4c(c(O)ccc4n1)C(=O)c1ccccc1-3)CCOC2	ZINC000586993118	HJ	Annotated	Anodyne	
O=C1CSc2sc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2N1	ZINC000586993127	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(-c4ncncc4Br)nc13)-c1ccccc1C2=O	ZINC000586993154	HJ	Annotated	Anodyne	
COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1OC(C)=O	ZINC000586993224	HJ	Annotated	Anodyne	
CCOC(=O)[C@H]1CCCCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O	ZINC000586993230	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O	ZINC000586993231	HJ	Annotated	Anodyne	
CCOC(=O)[C@H]1CC(C)(C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O	ZINC000586993236	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC(C)(C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O	ZINC000586993237	HJ	Annotated	Anodyne	
COc1ccc2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(=O)oc2c1	ZINC000586993515	HJ	Annotated	Anodyne	
COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc(OC)c1OC	ZINC000586993525	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(Cn4cc(Br)cn4)nc13)-c1ccccc1C2=O	ZINC000586993781	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](N1CCSCC1)CCC3	ZINC000586993867	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](N1CCSCC1)CCC3	ZINC000586993870	HJ	Annotated	Anodyne	
CC(=O)OCc1csc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1	ZINC000586993902	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(CC(=O)Nc4cccnc4Cl)nc13)-c1ccccc1C2=O	ZINC000586993934	HJ	Annotated	Anodyne	
COCCc1nc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1	ZINC000586993978	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(CC(=O)C(F)(F)Br)nc13)-c1ccccc1C2=O	ZINC000586994003	HJ	Annotated	Anodyne	
CCOC(=O)C(=C1SCS1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586994120	HJ	Annotated	Anodyne	
CC(=O)NCc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1	ZINC000586994166	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(-c4ncc(Br)cn4)nc13)-c1ccccc1C2=O	ZINC000586994415	HJ	Annotated	Anodyne	
COc1cccc2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(=O)oc12	ZINC000586994436	HJ	Annotated	Anodyne	
Cc1cc(=O)oc2c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(O)ccc12	ZINC000586994464	HJ	Annotated	Anodyne	
CCCNc1nc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1	ZINC000586994515	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)Cl)cc3)nc3ccc(O)c1c23	ZINC000586994556	HJ	Annotated	Unstable	
O=C1c2ccccc2-c2cc(-c3cccc(S(=O)(=O)Cl)c3)nc3ccc(O)c1c23	ZINC000586994578	HJ	Annotated	Unstable	
Cc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)s1	ZINC000586994604	HJ	Annotated	Anodyne	
Cc1ccc2c3c(c4c(nc13)C[C@H]4CNC(=O)OC(C)(C)C)-c1ccccc1C2=O	ZINC000586994805	HJ	Annotated	Anodyne	
Cc1ccc2c3c(c4c(nc13)C[C@@H]4CNC(=O)OC(C)(C)C)-c1ccccc1C2=O	ZINC000586994807	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](F)[C@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1	ZINC000586994848	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](F)[C@@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1	ZINC000586994853	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](F)[C@@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1	ZINC000586994858	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](F)[C@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1	ZINC000586994859	HJ	Annotated	Anodyne	
Cc1ccc2c3c(c4c(nc13)C[C@@H](NC(=O)OC(C)(C)C)C4)-c1ccccc1C2=O	ZINC000586994898	HJ	Annotated	Anodyne	
Cc1ccc2c3c(c4c(nc13)C[C@H](NC(=O)OC(C)(C)C)C4)-c1ccccc1C2=O	ZINC000586994900	HJ	Annotated	Anodyne	
CCOC(=O)/C(=C/N(C)C)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O	ZINC000586994913	HJ	Annotated	Anodyne	
CCOC(=O)/C(=C\N(C)C)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O	ZINC000586994915	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(CC(=O)NCc4ccc(F)cc4)nc13)-c1ccccc1C2=O	ZINC000586994940	HJ	Annotated	Anodyne	
CC(C)(Oc1ccc(Br)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1	ZINC000586995049	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2c1	ZINC000586995111	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(-c4ccc(N5CCNCC5)c(F)c4)nc13)-c1ccccc1C2=O	ZINC000586995124	HJ	Annotated	Anodyne	
N#Cc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1C(F)(F)F	ZINC000586995239	HJ	Annotated	Mild	
CC(C)(Oc1ccc(Br)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3	ZINC000586995375	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(-c4ccc(O)c(CN(C)C)c4O)nc13)-c1ccccc1C2=O	ZINC000586995482	HJ	Annotated	Clean	
Cc1ccc2c3c(cc(CCCOc4ccccc4C(N)=O)nc13)-c1ccccc1C2=O	ZINC000586995552	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(-c4ccc(OCC(=O)N(C)C)cc4)nc13)-c1ccccc1C2=O	ZINC000586995602	HJ	Annotated	Anodyne	
Fc1c(Br)ccc2nc(CCNc3ccc(Br)cc3)[nH]c12	ZINC000586995611	HJ	Annotated	Anodyne	
Fc1cc(Br)cc2nc(CCNc3ccc(Br)cc3)[nH]c12	ZINC000586995650	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(Cn4cc(C(F)(F)F)ccc4=O)nc13)-c1ccccc1C2=O	ZINC000586995652	HJ	Annotated	Anodyne	
FC(F)(F)Oc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1	ZINC000586995790	HJ	Annotated	Anodyne	
COC(=O)Cc1c(-c2ccccc2N)nc2c(C)ccc3c2c1-c1ccccc1C3=O	ZINC000586995890	HJ	Annotated	Anodyne	
CC(C)(Oc1ccc(Br)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3	ZINC000586995895	HJ	Annotated	Anodyne	
CC(C)(Oc1ccc(Br)cc1)c1nc2c(Br)ccnc2[nH]1	ZINC000586995920	HJ	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(CCNc3ccc(Br)cc3)nc2c1	ZINC000586996038	HJ	Annotated	Mild	
CC(C)(Oc1ccc(Br)cc1)c1nc2cncc(Br)c2[nH]1	ZINC000586996051	HJ	Annotated	Anodyne	
Fc1cc(Br)c2[nH]c(CCNc3ccc(Br)cc3)nc2c1	ZINC000586996124	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(CC(=O)Nc4ccc5c(c4)OCO5)nc13)-c1ccccc1C2=O	ZINC000586996138	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12	ZINC000586996140	HJ	Annotated	Anodyne	
Nc1ccc(-c2ccc3nc(CCNc4ccc(Br)cc4)[nH]c3c2)cc1N	ZINC000586996175	HJ	Annotated	Anodyne	
Fc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1Br	ZINC000586996220	HJ	Annotated	Anodyne	
O[C@H](c1ccc(Br)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000586996254	HJ	Annotated	Bother	
O[C@H](c1ccc(Br)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1	ZINC000586996256	HJ	Annotated	Anodyne	
FC(F)(F)Oc1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12	ZINC000586996271	HJ	Annotated	Anodyne	
O=C(c1ccccc1)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1	ZINC000586996285	HJ	Annotated	Anodyne	
O[C@H](c1ccc(Br)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1	ZINC000586996300	HJ	Annotated	Anodyne	
O[C@H](c1ccc(Br)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000586996331	HJ	Annotated	Bother	
CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Br)cnc2[nH]1	ZINC000586996423	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc2c1	ZINC000586996597	HJ	Annotated	Anodyne	
CC(C)(Oc1ccc(Br)cc1)c1nc2ccnc(Br)c2[nH]1	ZINC000586996698	HJ	Annotated	Anodyne	
Fc1cc2[nH]c(CCNc3ccc(Br)cc3)nc2cc1Br	ZINC000586996747	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(-c4ccc(S(C)(=O)=O)c(F)c4)nc13)-c1ccccc1C2=O	ZINC000586996947	HJ	Annotated	Anodyne	
N[C@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(Br)cc1	ZINC000586997111	HJ	Annotated	Anodyne	
O[C@H](c1ccc(Br)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1	ZINC000586997125	HJ	Annotated	Anodyne	
FC1(F)Oc2cc3nc(/C=C/c4cc5c(cc4Br)OCO5)[nH]c3cc2O1	ZINC000586997177	HJ	Annotated	Anodyne	
FC1(F)Oc2cc3nc(/C=C\c4cc5c(cc4Br)OCO5)[nH]c3cc2O1	ZINC000586997183	HJ	Annotated	Anodyne	
N[C@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(Br)cc1	ZINC000586997220	HJ	Annotated	Bother	
CCOC(=O)c1ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2c1	ZINC000586997224	HJ	Annotated	Anodyne	
N[C@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1	ZINC000586997251	HJ	Annotated	Anodyne	
Brc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1	ZINC000586997336	HJ	Annotated	Anodyne	
Brc1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1	ZINC000586997343	HJ	Annotated	Anodyne	
Brc1cc2c(cc1/C=C\c1nc3cccc(Br)c3[nH]1)OCO2	ZINC000586997386	HJ	Annotated	Anodyne	
Brc1cc2c(cc1/C=C/c1nc3cccc(Br)c3[nH]1)OCO2	ZINC000586997388	HJ	Annotated	Anodyne	
CCOc1cc2oc(=O)c(-c3nc4c(F)cc(F)cc4[nH]3)cc2cc1Br	ZINC000586997419	HJ	Annotated	Anodyne	
Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4c1ccc(N)cc1)-c1ccccc1C2=O	ZINC000586997476	HJ	Annotated	Anodyne	
Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4c1ccc(N)cc1)-c1ccccc1C2=O	ZINC000586997484	HJ	Annotated	Anodyne	
C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2c(C)ccc3c2c1-c1ccccc1C3=O	ZINC000586997486	HJ	Annotated	Anodyne	
C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2c(C)ccc3c2c1-c1ccccc1C3=O	ZINC000586997491	HJ	Annotated	Anodyne	
C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2c(C)ccc3c2c1-c1ccccc1C3=O	ZINC000586997495	HJ	Annotated	Anodyne	
C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2c(C)ccc3c2c1-c1ccccc1C3=O	ZINC000586997499	HJ	Annotated	Anodyne	
CCOc1cc2oc(=O)c(-c3nc4c(F)cccc4[nH]3)cc2cc1Br	ZINC000586997513	HJ	Annotated	Anodyne	
Cc1ccc(CNC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1	ZINC000586997575	HJ	Annotated	Anodyne	
CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(Br)nc2[nH]1	ZINC000586997579	HJ	Annotated	Anodyne	
CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Br)ncc2[nH]1	ZINC000586997597	HJ	Annotated	Anodyne	
Cc1ccc2c3c(c(CC(=O)O)c(-c4cc(F)ccc4O)nc13)-c1ccccc1C2=O	ZINC000586997605	HJ	Annotated	Anodyne	
Cc1nc2c(C)ccc3c2c(c1CCOc1ccccc1C(N)=O)-c1ccccc1C3=O	ZINC000586997652	HJ	Annotated	Anodyne	
COc1ccccc1CNC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2	ZINC000586997666	HJ	Annotated	Anodyne	
CCOC(=O)/C(=C/N(C)C)c1nc2c(C)ccc3c2c(c1CC)-c1ccccc1C3=O	ZINC000586997672	HJ	Annotated	Anodyne	
CCOC(=O)/C(=C\N(C)C)c1nc2c(C)ccc3c2c(c1CC)-c1ccccc1C3=O	ZINC000586997673	HJ	Annotated	Anodyne	
Cc1ccc2c3c(c(CC(=O)O)c(-c4ccccc4NC=O)nc13)-c1ccccc1C2=O	ZINC000586997699	HJ	Annotated	Anodyne	
N[C@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(Br)cc1	ZINC000586997707	HJ	Annotated	Bother	
Cc1c(Br)ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12	ZINC000586997728	HJ	Annotated	Anodyne	
O[C@H](c1ccc(Br)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1	ZINC000586997744	HJ	Annotated	Anodyne	
N=c1[nH]c2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc-2c(Cl)[nH]1	ZINC000586997748	HJ	Annotated	Anodyne	
N=c1[nH]c2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc-2c(Cl)[nH]1	ZINC000586997754	HJ	Annotated	Anodyne	
Clc1c[nH]c2nc(-c3ccccc3OCc3ccc(Br)cc3)nc-2n1	ZINC000586997810	HJ	Annotated	Anodyne	
Cc1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cc1Br	ZINC000586997816	HJ	Annotated	Anodyne	
CCOc1cc2oc(=O)c(-c3nc4c(Cl)nccc4[nH]3)cc2cc1Br	ZINC000586997826	HJ	Annotated	Anodyne	
Clc1cnc(Cl)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc12	ZINC000586997856	HJ	Annotated	Anodyne	
Clc1cnc(Cl)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc12	ZINC000586997858	HJ	Annotated	Anodyne	
Clc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c(Cl)n1	ZINC000586997864	HJ	Annotated	Anodyne	
Clc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c(Cl)n1	ZINC000586997865	HJ	Annotated	Anodyne	
Cc1c(Br)cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1C	ZINC000586998069	HJ	Annotated	Anodyne	
Cc1ccc2c3c(c(CCN(C)N=O)c(-c4cccnc4)nc13)-c1ccccc1C2=O	ZINC000586998073	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(-c4ccc(N(CC(=O)O)N=O)cc4)nc13)-c1ccccc1C2=O	ZINC000586998090	HJ	Annotated	Anodyne	
Cc1c(Br)cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1C	ZINC000586998128	HJ	Annotated	Anodyne	
Nc1ccc(Oc2ccc3nc([C@H](O)c4ccc(Br)cc4)[nH]c3c2)cc1	ZINC000586998150	HJ	Annotated	Clean	
COc1ccccc1NC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2	ZINC000586998221	HJ	Annotated	Anodyne	
CCOc1cc2oc(=O)c(-c3nc4cnc(Cl)cc4[nH]3)cc2cc1Br	ZINC000586998447	HJ	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc12	ZINC000586998520	HJ	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc12	ZINC000586998521	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2n1	ZINC000586998548	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2n1	ZINC000586998550	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cn1	ZINC000586998563	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cn1	ZINC000586998564	HJ	Annotated	Anodyne	
COc1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cn1	ZINC000586998584	HJ	Annotated	Anodyne	
Clc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2nc1Cl	ZINC000586998607	HJ	Annotated	Anodyne	
Clc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2nc1Cl	ZINC000586998608	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2n1	ZINC000586998625	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2n1	ZINC000586998626	HJ	Annotated	Anodyne	
FC(F)(F)c1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cn1	ZINC000586998627	HJ	Annotated	Anodyne	
FC(F)(F)c1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cn1	ZINC000586998628	HJ	Annotated	Anodyne	
CCOc1cc2oc(=O)c(-c3nc4cc(F)c(C)cc4[nH]3)cc2cc1Br	ZINC000586998647	HJ	Annotated	Anodyne	
Oc1nc(S)nc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc12	ZINC000586998730	HJ	Annotated	Anodyne	
Oc1nc(S)nc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc12	ZINC000586998731	HJ	Annotated	Anodyne	
Clc1ncc2nc(-c3ccccc3OCc3ccc(Br)cc3)nc-2[nH]1	ZINC000586998775	HJ	Annotated	Anodyne	
CCOc1cc2oc(=O)c(-c3nc4cc(F)c(F)cc4[nH]3)cc2cc1Br	ZINC000586998790	HJ	Annotated	Anodyne	
CCOc1cc2oc(=O)c(-c3nc4c(F)c(F)ccc4[nH]3)cc2cc1Br	ZINC000586998814	HJ	Annotated	Anodyne	
CCOc1cc2oc(=O)c(-c3nc4c(Cl)cncc4[nH]3)cc2cc1Br	ZINC000586998822	HJ	Annotated	Anodyne	
Clc1cnc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1Cl	ZINC000586998857	HJ	Annotated	Anodyne	
Clc1cnc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1Cl	ZINC000586998858	HJ	Annotated	Anodyne	
CCOc1cc2oc(=O)c(-c3nc4cc(F)ccc4[nH]3)cc2cc1Br	ZINC000586998866	HJ	Annotated	Anodyne	
CCOc1cc2oc(=O)c(-c3nc4ncc(Cl)cc4[nH]3)cc2cc1Br	ZINC000586998985	HJ	Annotated	Anodyne	
Nc1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cc1N	ZINC000586999148	HJ	Annotated	Anodyne	
CCOc1cc2oc(=O)c(-c3nc4nc(Cl)ccc4[nH]3)cc2cc1Br	ZINC000586999204	HJ	Annotated	Anodyne	
N#Cc1cc(Cl)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1	ZINC000586999210	HJ	Annotated	Mild	
N#Cc1cc(Cl)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1	ZINC000586999211	HJ	Annotated	Mild	
CCOc1cc2oc(=O)c(-c3nc4c(F)cc(C)cc4[nH]3)cc2cc1Br	ZINC000586999250	HJ	Annotated	Anodyne	
CCOc1cc2oc(=O)c(-c3nc4nccc(Cl)c4[nH]3)cc2cc1Br	ZINC000586999262	HJ	Annotated	Anodyne	
COc1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2n1	ZINC000586999327	HJ	Annotated	Anodyne	
Fc1c(F)c(F)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1F	ZINC000586999346	HJ	Annotated	Anodyne	
Fc1c(F)c(F)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1F	ZINC000586999347	HJ	Annotated	Anodyne	
FC(F)(F)c1cnc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1	ZINC000586999398	HJ	Annotated	Anodyne	
FC(F)(F)c1cnc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1	ZINC000586999399	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1Cl	ZINC000586999402	HJ	Annotated	Bother	
O=[N+]([O-])c1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1Cl	ZINC000586999403	HJ	Annotated	Bother	
CCOc1cc2oc(=O)c(-c3nc4cc(OC)ccc4[nH]3)cc2cc1Br	ZINC000586999503	HJ	Annotated	Anodyne	
O=[N+]([O-])c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1	ZINC000586999561	HJ	Annotated	Bother	
CCn1cc(Br)c(Cc2nc3cc(Br)cc(Cl)c3[nH]2)n1	ZINC000586999617	HJ	Annotated	Anodyne	
N#Cc1cccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12	ZINC000586999632	HJ	Annotated	Mild	
CSc1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1	ZINC000586999727	HJ	Annotated	Anodyne	
Brc1cc(/C=C\c2nc3ccc4ncccc4c3[nH]2)cc2c1OCCO2	ZINC000586999752	HJ	Annotated	Anodyne	
Brc1cc(/C=C/c2nc3ccc4ncccc4c3[nH]2)cc2c1OCCO2	ZINC000586999757	HJ	Annotated	Anodyne	
O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c3c(ccc2[nH]1)CCCC3	ZINC000586999790	HJ	Annotated	Anodyne	
CSc1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1	ZINC000586999863	HJ	Annotated	Anodyne	
CSc1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1	ZINC000586999866	HJ	Annotated	Anodyne	
CC(C)Oc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1	ZINC000586999914	HJ	Annotated	Anodyne	
CCOc1cc2oc(=O)c(-c3nc4cc(C)nc(C)c4[nH]3)cc2cc1Br	ZINC000586999923	HJ	Annotated	Anodyne	
CCOc1cc2oc(=O)c(-c3nc4c(OC)cccc4[nH]3)cc2cc1Br	ZINC000586999930	HJ	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)n1	ZINC000586999945	HJ	Annotated	Clean	
CCn1cc(Br)c(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)n1	ZINC000586999952	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12	ZINC000586999970	HJ	Annotated	Bother	
N#Cc1cc(Cl)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1	ZINC000586999988	HJ	Annotated	Mild	
N#Cc1cc(Cl)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1	ZINC000586999989	HJ	Annotated	Mild	
CCn1cc(Br)c(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)n1	ZINC000587000041	HJ	Annotated	Anodyne	
Oc1nc2cc3nc(COc4ccc5ccccc5c4Br)[nH]c3cc2[nH]1	ZINC000587000046	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12	ZINC000587000078	HJ	Annotated	Anodyne	
Cc1c(Cl)ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12	ZINC000587000100	HJ	Annotated	Anodyne	
N#Cc1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1	ZINC000587000335	HJ	Annotated	Mild	
Brc1cnc(NCc2ccccc2)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1	ZINC000587000454	HJ	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)n1	ZINC000587000493	HJ	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)n1	ZINC000587000500	HJ	Annotated	Anodyne	
O=C1CCc2cc3nc(COc4ccc5ccccc5c4Br)[nH]c3cc2N1	ZINC000587000525	HJ	Annotated	Anodyne	
Cc1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2cc1Cl	ZINC000587000543	HJ	Annotated	Anodyne	
Cc1ccc2c(ccc3[nH]c(-c4cc5cc(Br)c(O)cc5oc4=O)nc32)n1	ZINC000587000554	HJ	Annotated	Anodyne	
Brc1cnc(NCc2ccccc2)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1	ZINC000587000770	HJ	Annotated	Anodyne	
O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(F)c(Cl)cc2[nH]1	ZINC000587000773	HJ	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)n1	ZINC000587000778	HJ	Annotated	Anodyne	
OCCc1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1	ZINC000587000822	HJ	Annotated	Anodyne	
N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc3c(c2[nH]1)CCCC3	ZINC000587000860	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2n1	ZINC000587001051	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2n1	ZINC000587001052	HJ	Annotated	Anodyne	
CC(C)Oc1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1	ZINC000587001160	HJ	Annotated	Anodyne	
FC(F)(F)c1cccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12	ZINC000587001173	HJ	Annotated	Anodyne	
Clc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c(Cl)n1	ZINC000587001226	HJ	Annotated	Anodyne	
FC(F)(F)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1	ZINC000587001273	HJ	Annotated	Anodyne	
COc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1C	ZINC000587001314	HJ	Annotated	Anodyne	
COc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1C	ZINC000587001320	HJ	Annotated	Anodyne	
Fc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c(F)c1F	ZINC000587001331	HJ	Annotated	Anodyne	
Fc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c(F)c1F	ZINC000587001336	HJ	Annotated	Anodyne	
Brc1cc(/C=C/c2nc3cnc4ccccc4c3[nH]2)cc2c1OCCO2	ZINC000587001361	HJ	Annotated	Anodyne	
O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(F)cc(Cl)cc2[nH]1	ZINC000587001377	HJ	Annotated	Anodyne	
O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc3ccccc3cc2[nH]1	ZINC000587001389	HJ	Annotated	Anodyne	
Cc1ccc2c(ccc3nc([C@@H](N)Cc4c[nH]c5cc(Br)ccc45)[nH]c32)n1	ZINC000587001445	HJ	Annotated	Anodyne	
N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cnc3ccccc3c2[nH]1	ZINC000587001458	HJ	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3cc(Cl)cc(Br)c3[nH]2)n1	ZINC000587001547	HJ	Annotated	Anodyne	
Brc1cc(/C=C\c2nc3cnc4ccccc4c3[nH]2)cc2c1OCCO2	ZINC000587001564	HJ	Annotated	Anodyne	
COc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Cl	ZINC000587001612	HJ	Annotated	Anodyne	
COc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Cl	ZINC000587001614	HJ	Annotated	Anodyne	
Cc1cnc(Cl)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc12	ZINC000587001622	HJ	Annotated	Anodyne	
Cc1cnc(Cl)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc12	ZINC000587001627	HJ	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)n1	ZINC000587001638	HJ	Annotated	Anodyne	
CSc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1	ZINC000587001649	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2n1	ZINC000587001680	HJ	Annotated	Anodyne	
FC(F)(F)c1ncc2nc(COc3ccc4ccccc4c3Br)nc-2[nH]1	ZINC000587001848	HJ	Annotated	Anodyne	
Fc1c(Br)ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12	ZINC000587001951	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1	ZINC000587001962	HJ	Annotated	Anodyne	
Cc1c(Cl)ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12	ZINC000587001974	HJ	Annotated	Anodyne	
Cc1c(Cl)ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12	ZINC000587001975	HJ	Annotated	Anodyne	
Brc1c(OCc2nc3cc4c(cc3[nH]2)OCCO4)ccc2ccccc12	ZINC000587002006	HJ	Annotated	Anodyne	
N#Cc1nc(Cl)cc2nc(COc3ccc4ccccc4c3Br)[nH]c12	ZINC000587002010	HJ	Annotated	Mild	
COc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2cc1Cl	ZINC000587002106	HJ	Annotated	Anodyne	
N#Cc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1C#N	ZINC000587002208	HJ	Annotated	Mild	
N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Cl)c(F)cc2[nH]1	ZINC000587002232	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12	ZINC000587002339	HJ	Annotated	Anodyne	
COc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1Cl	ZINC000587002360	HJ	Annotated	Anodyne	
N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Cl)cc(F)c2[nH]1	ZINC000587002412	HJ	Annotated	Anodyne	
Cc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Cl	ZINC000587002436	HJ	Annotated	Anodyne	
Cc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Cl	ZINC000587002437	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12	ZINC000587002463	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12	ZINC000587002464	HJ	Annotated	Anodyne	
O=C1C[C@@H](Cc2nc3ccc4c(c3[nH]2)CCCC4)c2c(Br)cccc2O1	ZINC000587002480	HJ	Annotated	Anodyne	
O=C1C[C@H](Cc2nc3ccc4c(c3[nH]2)CCCC4)c2c(Br)cccc2O1	ZINC000587002481	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2c1OC	ZINC000587002572	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2n1	ZINC000587002902	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2n1	ZINC000587002904	HJ	Annotated	Anodyne	
Fc1c(Cl)cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1F	ZINC000587002943	HJ	Annotated	Anodyne	
Brc1c[nH]c2nccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c12	ZINC000587002959	HJ	Annotated	Bother	
O=C1C[C@@H](Cc2nc3ccc4ncccc4c3[nH]2)c2c(Br)cccc2O1	ZINC000587003044	HJ	Annotated	Anodyne	
O=C1C[C@H](Cc2nc3ccc4ncccc4c3[nH]2)c2c(Br)cccc2O1	ZINC000587003046	HJ	Annotated	Anodyne	
Clc1cnc2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1Cl	ZINC000587003227	HJ	Annotated	Anodyne	
Brc1ccc2c(cnn2CCc2nc3ccc(Br)cc3[nH]2)c1	ZINC000587003286	HJ	Annotated	Anodyne	
Brc1ccc2c(cnn2CCc2nc3cccc(Br)c3[nH]2)c1	ZINC000587003307	HJ	Annotated	Anodyne	
Clc1cnc(Cl)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc12	ZINC000587003356	HJ	Annotated	Anodyne	
Cc1ccc2c(ccc3nc(CCn4ncc5cc(Br)ccc54)[nH]c32)n1	ZINC000587003441	HJ	Annotated	Anodyne	
Clc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2nc1Cl	ZINC000587003456	HJ	Annotated	Anodyne	
O=C1C[C@@H](Cc2nc3cc(Cl)cc(F)c3[nH]2)c2c(Br)cccc2O1	ZINC000587003501	HJ	Annotated	Anodyne	
O=C1C[C@H](Cc2nc3cc(Cl)cc(F)c3[nH]2)c2c(Br)cccc2O1	ZINC000587003502	HJ	Annotated	Anodyne	
Cc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1Br	ZINC000587003503	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12	ZINC000587003562	HJ	Annotated	Anodyne	
CCCn1cnc2cc(-c3nc4cc(OC)c(F)cc4[nH]3)cc(Br)c21	ZINC000587003634	HJ	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(-c3ccc(Br)c4cc(C)oc34)nc2cc1OC	ZINC000587003636	HJ	Annotated	Anodyne	
Cc1cc2c(Br)ccc(-c3nc4nc(Br)c[nH]c-4n3)c2o1	ZINC000587003637	HJ	Annotated	Anodyne	
CCCn1cnc2cc(-c3nc4c(F)cnc(Cl)c4[nH]3)cc(Br)c21	ZINC000587003644	HJ	Annotated	Anodyne	
CCCn1cnc2cc(-c3nc4cc(OC)cc(OC)c4[nH]3)cc(Br)c21	ZINC000587003646	HJ	Annotated	Anodyne	
CCCn1cnc2cc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)cc(Br)c21	ZINC000587003648	HJ	Annotated	Anodyne	
O=C1C[C@@H](Cc2nc3cnc4ccccc4c3[nH]2)c2c(Br)cccc2O1	ZINC000587003738	HJ	Annotated	Anodyne	
O=C1C[C@H](Cc2nc3cnc4ccccc4c3[nH]2)c2c(Br)cccc2O1	ZINC000587003740	HJ	Annotated	Anodyne	
CSc1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1	ZINC000587003828	HJ	Annotated	Anodyne	
CSc1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1	ZINC000587003832	HJ	Annotated	Anodyne	
CCCn1cnc2cc(-c3nc4cc(Cl)nc(C#N)c4[nH]3)cc(Br)c21	ZINC000587003949	HJ	Annotated	Mild	
N#Cc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1C(F)(F)F	ZINC000587004011	HJ	Annotated	Mild	
CCCn1cnc2cc(-c3nc4cccc(C(=O)OC)c4[nH]3)cc(Br)c21	ZINC000587004024	HJ	Annotated	Anodyne	
Cc1cc2c(Br)ccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2o1	ZINC000587004065	HJ	Annotated	Bother	
Fc1cc(Br)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1	ZINC000587004092	HJ	Annotated	Anodyne	
Cc1ccc2c(ccc3nc(C[C@@H]4CC(=O)Oc5cccc(Br)c54)[nH]c32)n1	ZINC000587004102	HJ	Annotated	Anodyne	
Cc1ccc2c(ccc3nc(C[C@H]4CC(=O)Oc5cccc(Br)c54)[nH]c32)n1	ZINC000587004104	HJ	Annotated	Anodyne	
CC(C)Oc1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1	ZINC000587004203	HJ	Annotated	Anodyne	
CC(C)Oc1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1	ZINC000587004205	HJ	Annotated	Anodyne	
CCCn1cnc2cc(-c3nc4cc(OC)c(OC)cc4[nH]3)cc(Br)c21	ZINC000587004213	HJ	Annotated	Anodyne	
CCCn1cnc2cc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)cc(Br)c21	ZINC000587004223	HJ	Annotated	Bother	
COc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Cl	ZINC000587004233	HJ	Annotated	Anodyne	
COc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Cl	ZINC000587004236	HJ	Annotated	Anodyne	
Fc1cc(Br)cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12	ZINC000587004247	HJ	Annotated	Anodyne	
CCCn1cnc2cc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)cc(Br)c21	ZINC000587004267	HJ	Annotated	Bother	
CCCn1cnc2cc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc(Br)c21	ZINC000587004297	HJ	Annotated	Anodyne	
CCCn1cnc2cc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cc(Br)c21	ZINC000587004341	HJ	Annotated	Bother	
Fc1cc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2cc1Br	ZINC000587004349	HJ	Annotated	Anodyne	
Brc1c[nH]c2nccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c12	ZINC000587004369	HJ	Annotated	Bother	
Nc1ccc(-c2ccc3nc(-c4ccnc5[nH]cc(Br)c45)[nH]c3c2)cc1N	ZINC000587004411	HJ	Annotated	Anodyne	
N#Cc1cc(Cl)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc2c1	ZINC000587004493	HJ	Annotated	Mild	
N#Cc1cc(Br)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1	ZINC000587004532	HJ	Annotated	Mild	
O=C1C[C@@H](Cc2nc3cc(Cl)c(F)cc3[nH]2)c2c(Br)cccc2O1	ZINC000587004595	HJ	Annotated	Anodyne	
O=C1C[C@H](Cc2nc3cc(Cl)c(F)cc3[nH]2)c2c(Br)cccc2O1	ZINC000587004596	HJ	Annotated	Anodyne	
Fc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1Br	ZINC000587004607	HJ	Annotated	Anodyne	
CCCn1cnc2cc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)cc(Br)c21	ZINC000587004653	HJ	Annotated	Bother	
Cc1cc2c(Br)ccc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)c2o1	ZINC000587004751	HJ	Annotated	Anodyne	
CCCn1cnc2cc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)cc(Br)c21	ZINC000587004771	HJ	Annotated	Anodyne	
Fc1cc(Br)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1	ZINC000587004877	HJ	Annotated	Anodyne	
CC(C)n1c(-c2nc3ncc(F)cc3[nH]2)cc(Br)c1Br	ZINC000587004884	HJ	Annotated	Anodyne	
Clc1ccc(Br)nc1-c1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000587004905	HJ	Annotated	Anodyne	
Nc1ccc(-c2ccc3nc(-c4nc(Br)ccc4Cl)[nH]c3c2)cc1N	ZINC000587004906	HJ	Annotated	Anodyne	
Clc1ccc(Br)nc1-c1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587004936	HJ	Annotated	Anodyne	
CC(C)n1c(-c2nc3cc(CO)ccc3[nH]2)cc(Br)c1Br	ZINC000587004951	HJ	Annotated	Anodyne	
COc1nccc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc12	ZINC000587004994	HJ	Annotated	Anodyne	
CC(C)n1c(-c2nc3nc(Cl)ncc3[nH]2)cc(Br)c1Br	ZINC000587005080	HJ	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1	ZINC000587005085	HJ	Annotated	Mild	
CC(C)n1c(-c2nc3ncnc(Cl)c3[nH]2)cc(Br)c1Br	ZINC000587005138	HJ	Annotated	Anodyne	
CCCn1cnc2cc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)cc(Br)c21	ZINC000587005146	HJ	Annotated	Anodyne	
O=C(c1ccccc1)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1	ZINC000587005171	HJ	Annotated	Anodyne	
Clc1cnc(Br)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)n1	ZINC000587005185	HJ	Annotated	Bother	
Cc1c(Br)ccc2nc(-c3nc(Cl)cnc3Br)[nH]c12	ZINC000587005230	HJ	Annotated	Anodyne	
Nc1ccc(Oc2ccc3nc(-c4nc(Cl)cnc4Br)[nH]c3c2)cc1	ZINC000587005233	HJ	Annotated	Clean	
Cc1cc(Br)cc2nc(-c3nc(Cl)cnc3Br)[nH]c12	ZINC000587005250	HJ	Annotated	Anodyne	
COc1cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2cn1	ZINC000587005270	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(-c3nc(Br)ccc3Cl)nc2cc1Br	ZINC000587005274	HJ	Annotated	Anodyne	
COc1ccc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2n1	ZINC000587005284	HJ	Annotated	Anodyne	
Fc1cc2[nH]c(-c3nc(Br)ccc3Cl)nc2cc1Br	ZINC000587005291	HJ	Annotated	Anodyne	
CC(C)n1c(-c2nc3nc(Cl)c[nH]c-3n2)cc(Br)c1Br	ZINC000587005351	HJ	Annotated	Anodyne	
Nc1ccc(-c2ccc3nc(-c4ccnc(Br)c4Cl)[nH]c3c2)cc1N	ZINC000587005358	HJ	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3ccnc(Br)c3Cl)nc2c1	ZINC000587005374	HJ	Annotated	Mild	
Oc1c(Br)ccc2nc(-c3nc(Br)ccc3Cl)[nH]c12	ZINC000587005438	HJ	Annotated	Anodyne	
Fc1cc(Br)c2[nH]c(-c3ccnc(Br)c3Cl)nc2c1	ZINC000587005453	HJ	Annotated	Anodyne	
Fc1c(Br)ccc2nc(-c3nc(Br)ccc3Cl)[nH]c12	ZINC000587005475	HJ	Annotated	Anodyne	
Cc1c(Br)cc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1C	ZINC000587005489	HJ	Annotated	Anodyne	
Clc1cnc(Br)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)n1	ZINC000587005499	HJ	Annotated	Anodyne	
Fc1cc(Br)cc2nc(-c3nc(Br)ccc3Cl)[nH]c12	ZINC000587005520	HJ	Annotated	Anodyne	
Fc1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1Br	ZINC000587005531	HJ	Annotated	Anodyne	
COc1cncc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc12	ZINC000587005532	HJ	Annotated	Anodyne	
N#Cc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1C(F)(F)F	ZINC000587005556	HJ	Annotated	Mild	
N#Cc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1C(F)(F)F	ZINC000587005587	HJ	Annotated	Mild	
Cc1nc2[nH]c(-c3ccnc(Br)c3Cl)nc2cc1Br	ZINC000587005598	HJ	Annotated	Anodyne	
Cc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1Br	ZINC000587005618	HJ	Annotated	Anodyne	
Fc1cc2[nH]c(-c3ccnc(Br)c3Cl)nc2cc1Br	ZINC000587005647	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1	ZINC000587005654	HJ	Annotated	Anodyne	
Fc1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1Br	ZINC000587005779	HJ	Annotated	Anodyne	
Oc1c(Br)ccc2nc(-c3ccnc(Br)c3Cl)[nH]c12	ZINC000587005793	HJ	Annotated	Anodyne	
Clc1cc(Br)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1	ZINC000587005883	HJ	Annotated	Anodyne	
Fc1c(Br)ccc2nc(-c3ccnc(Br)c3Cl)[nH]c12	ZINC000587005887	HJ	Annotated	Anodyne	
Clc1c(-c2nc3c(Br)cnc(Cl)c3[nH]2)ccnc1Br	ZINC000587005888	HJ	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1	ZINC000587005968	HJ	Annotated	Mild	
Cc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1Br	ZINC000587006028	HJ	Annotated	Anodyne	
Brc1cccn2ncc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c12	ZINC000587006035	HJ	Annotated	Bother	
Fc1c(Br)ccc2nc(-c3cnn4cccc(Br)c34)[nH]c12	ZINC000587006036	HJ	Annotated	Anodyne	
Cc1cc(F)c2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2c1	ZINC000587006045	HJ	Annotated	Anodyne	
O=c1c(-c2nc3c(Cl)cccc3[nH]2)cc(Br)cn1Cc1ccccc1	ZINC000587006104	HJ	Annotated	Anodyne	
C=CCc1cccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc12	ZINC000587006112	HJ	Annotated	Mild	
Cc1nc2[nH]c(-c3cc4ccc(Br)cn4c3)nc2cc1Br	ZINC000587006150	HJ	Annotated	Anodyne	
Fc1cc2nc(-c3cccn4c(Br)cnc34)[nH]c2cc1Br	ZINC000587006195	HJ	Annotated	Anodyne	
Fc1cc(Br)cc2nc(-c3cnn4cccc(Br)c34)[nH]c12	ZINC000587006217	HJ	Annotated	Anodyne	
Brc1n[nH]c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc12	ZINC000587006241	HJ	Annotated	Bother	
Fc1cc(Br)cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12	ZINC000587006248	HJ	Annotated	Anodyne	
N#Cc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1C(F)(F)F	ZINC000587006271	HJ	Annotated	Mild	
N#Cc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1C(F)(F)F	ZINC000587006272	HJ	Annotated	Mild	
Fc1cc(Br)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1	ZINC000587006286	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1	ZINC000587006287	HJ	Annotated	Anodyne	
Fc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1Br	ZINC000587006314	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2nc(-c3cnn4cccc(Br)c34)[nH]c12	ZINC000587006335	HJ	Annotated	Anodyne	
Brc1cccn2ncc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c12	ZINC000587006338	HJ	Annotated	Bother	
Fc1cc(Br)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1	ZINC000587006390	HJ	Annotated	Anodyne	
Cc1cc(C)c2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2c1	ZINC000587006433	HJ	Annotated	Anodyne	
FC(F)(F)c1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1Cl	ZINC000587006444	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1	ZINC000587006501	HJ	Annotated	Anodyne	
Fc1c(Br)ccc2[nH]c(-c3cccn4c(Br)cnc34)nc12	ZINC000587006555	HJ	Annotated	Anodyne	
Fc1c(Br)ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12	ZINC000587006557	HJ	Annotated	Anodyne	
Cc1cc(Br)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1	ZINC000587006569	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12	ZINC000587006613	HJ	Annotated	Anodyne	
N#Cc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1C(F)(F)F	ZINC000587006630	HJ	Annotated	Mild	
FC(F)(F)c1cc(Cl)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1	ZINC000587006758	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc(-c3cnn4cccc(Br)c34)[nH]c12	ZINC000587006827	HJ	Annotated	Anodyne	
N#Cc1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c1	ZINC000587006898	HJ	Annotated	Mild	
FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cc4ccc(Br)cn4c3)nc1-2	ZINC000587007007	HJ	Annotated	Anodyne	
Fc1cnc(Br)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc12	ZINC000587007123	HJ	Annotated	Anodyne	
Fc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1Br	ZINC000587007182	HJ	Annotated	Anodyne	
Nc1ccc(-c2ccc3nc(-c4ccc5[nH]nc(Br)c5c4)[nH]c3c2)cc1N	ZINC000587007248	HJ	Annotated	Anodyne	
Oc1c(Br)ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12	ZINC000587007285	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1	ZINC000587007292	HJ	Annotated	Anodyne	
O=C(Nc1ccc(Cc2nc3ccc(F)cc3[nH]2)cc1)c1ccc(Br)o1	ZINC000587007354	HJ	Annotated	Anodyne	
Brc1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)o1	ZINC000587007409	HJ	Annotated	Anodyne	
Fc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1Br	ZINC000587007452	HJ	Annotated	Anodyne	
O=C(c1ccccc1)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1	ZINC000587007460	HJ	Annotated	Anodyne	
Fc1cc2[nH]c(-c3cnn4cccc(Br)c34)nc2cc1Br	ZINC000587007461	HJ	Annotated	Anodyne	
Fc1cc(Br)cc2[nH]c(-c3cccn4c(Br)cnc34)nc12	ZINC000587007703	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2[nH]c(-c3cccn4c(Br)cnc34)nc12	ZINC000587007705	HJ	Annotated	Anodyne	
Brc1cnc2c(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cccn12	ZINC000587007708	HJ	Annotated	Bother	
Cc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1Br	ZINC000587007731	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12	ZINC000587007739	HJ	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1	ZINC000587007839	HJ	Annotated	Mild	
Fc1cc(Br)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1	ZINC000587007842	HJ	Annotated	Anodyne	
FC(F)(F)Sc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1	ZINC000587008161	HJ	Annotated	Anodyne	
Brc1cnc2c(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cnn2c1	ZINC000587008282	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2[nH]c(-c3cccn4c(Br)cnc34)nc12	ZINC000587008504	HJ	Annotated	Anodyne	
Cc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1Br	ZINC000587008560	HJ	Annotated	Anodyne	
Fc1cc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2cc1Br	ZINC000587008586	HJ	Annotated	Anodyne	
N#Cc1cccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c12	ZINC000587008841	HJ	Annotated	Mild	
O=C(Nc1ccc(Cc2nc3cccc(F)c3[nH]2)cc1)c1ccc(Br)o1	ZINC000587008849	HJ	Annotated	Anodyne	
CC(C)(Cl)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1	ZINC000587009053	HJ	Annotated	Anodyne	
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H](Cl)CCl)[nH]c2c1	ZINC000587009139	HJ	Annotated	Reactive	
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H](Cl)CCl)[nH]c2c1	ZINC000587009140	HJ	Annotated	Reactive	
Brc1cnc2c(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)cnn2c1	ZINC000587009285	HJ	Annotated	Anodyne	
Cc1nc(Br)sc1-c1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000587010629	HJ	Annotated	Anodyne	
Cc1nc(Br)sc1-c1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587010635	HJ	Annotated	Anodyne	
COc1ccc(-c2nnc(-c3ccc4nc(Cc5sc(C)nc5C)[nH]c4c3)o2)cc1	ZINC000587011269	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccc2)sc1Cc1nc2c(F)cnc(Br)c2[nH]1	ZINC000587011309	HJ	Annotated	Anodyne	
Cc1nc(C)c(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)s1	ZINC000587011454	HJ	Annotated	Anodyne	
FC(F)(F)c1nc(Cl)[nH]c2nc(-c3nc(Br)sc3C3CC3)nc1-2	ZINC000587011661	HJ	Annotated	Anodyne	
Cc1nc(Br)sc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000587011733	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(-c3nc(Br)sc3C3CC3)nc12	ZINC000587011745	HJ	Annotated	Anodyne	
Cc1nc(C)c(Cc2nc3c(Br)ccc(Br)c3[nH]2)s1	ZINC000587011830	HJ	Annotated	Anodyne	
Oc1c(Br)ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12	ZINC000587011843	HJ	Annotated	Anodyne	
CC1=C(c2ccc3nc(-c4nc(-c5ccc(C)cc5)sc4C)[nH]c3c2)NNC(=O)C1	ZINC000587011908	HJ	Annotated	Anodyne	
NNC(=O)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1	ZINC000587011997	HJ	Annotated	Reactive	
Cc1nc(C2CC2)sc1-c1nc2c(I)cnc(Cl)c2[nH]1	ZINC000587012047	HJ	Annotated	Anodyne	
Cc1nc(C2CC2)sc1-c1nc2c(Br)cnc(Br)c2[nH]1	ZINC000587012055	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(Cc3sc(C)nc3C)[nH]c2c(F)c1Nc1ccccc1	ZINC000587012082	HJ	Annotated	Anodyne	
Cc1ccc(-c2nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c(C)s2)cc1	ZINC000587012111	HJ	Annotated	Anodyne	
Fc1cc2[nH]c(-c3nc(Br)sc3C3CC3)nc2cc1-n1cccn1	ZINC000587012258	HJ	Annotated	Anodyne	
Cc1nc(Br)sc1-c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000587012277	HJ	Annotated	Anodyne	
N#Cc1nc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2nc1C#N	ZINC000587012338	HJ	Annotated	Mild	
Cc1nc(Br)sc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000587012460	HJ	Annotated	Clean	
Cc1nc(C)c(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)s1	ZINC000587012589	HJ	Annotated	Anodyne	
Cc1nc(C)c(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)s1	ZINC000587012591	HJ	Annotated	Anodyne	
CCCc1sc(N)nc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1	ZINC000587012641	HJ	Annotated	Anodyne	
Fc1cnc(Br)c2[nH]c(-c3nc(Br)sc3C3CC3)nc12	ZINC000587012868	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(-c3nc(Br)sc3C3CC3)nc2cc1Br	ZINC000587012920	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccc2)sc1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587012977	HJ	Annotated	Anodyne	
Cc1nc(C)c(Cc2nc3cc(Br)c(Br)cc3[nH]2)s1	ZINC000587013034	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(-c3sc(C4CC4)nc3C)nc2c1	ZINC000587013073	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1	ZINC000587013270	HJ	Annotated	Anodyne	
CCCc1sc(N)nc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1	ZINC000587013367	HJ	Annotated	Anodyne	
CCCc1sc(N)nc1-c1nc2c(Br)ccc(Br)c2[nH]1	ZINC000587013368	HJ	Annotated	Anodyne	
CCCc1sc(N)nc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1	ZINC000587013372	HJ	Annotated	Anodyne	
CCCc1sc(N)nc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1	ZINC000587013420	HJ	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1	ZINC000587013428	HJ	Annotated	Mild	
CCCc1sc(N)nc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1	ZINC000587013451	HJ	Annotated	Anodyne	
FC1(F)Oc2cc3nc(-c4nc(Br)sc4C4CC4)[nH]c3cc2O1	ZINC000587013527	HJ	Annotated	Anodyne	
CCCc1sc(N)nc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1	ZINC000587013543	HJ	Annotated	Anodyne	
CCCCOc1cc2nc(-c3nc(N)sc3CCC)[nH]c2cc1Br	ZINC000587013584	HJ	Annotated	Anodyne	
CCCc1sc(N)nc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1	ZINC000587013654	HJ	Annotated	Anodyne	
CCCc1sc(N)nc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1	ZINC000587013716	HJ	Annotated	Anodyne	
CCO[C@H](C)c1nc(C)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)s1	ZINC000587013726	HJ	Annotated	Anodyne	
CCO[C@@H](C)c1nc(C)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)s1	ZINC000587013732	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cs1	ZINC000587013764	HJ	Annotated	Mild	
CC(C)(C)OC(=O)NCc1nc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cs1	ZINC000587013818	HJ	Annotated	Anodyne	
CCCc1sc(N)nc1-c1nc2cc(Br)c(Br)cc2[nH]1	ZINC000587013829	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc2c1	ZINC000587013845	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cs1	ZINC000587013911	HJ	Annotated	Anodyne	
CCO[C@H](C)c1nc(C)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)s1	ZINC000587013951	HJ	Annotated	Bother	
CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)s1	ZINC000587013952	HJ	Annotated	Bother	
CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cs1	ZINC000587014078	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cs1	ZINC000587014209	HJ	Annotated	Anodyne	
CCO[C@H](C)c1nc(C)c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)s1	ZINC000587014240	HJ	Annotated	Clean	
CCO[C@@H](C)c1nc(C)c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)s1	ZINC000587014242	HJ	Annotated	Clean	
Cc1c(Br)ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c12	ZINC000587014287	HJ	Annotated	Anodyne	
CCO[C@H](C)c1nc(C)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)s1	ZINC000587014396	HJ	Annotated	Bother	
CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)s1	ZINC000587014397	HJ	Annotated	Bother	
CCO[C@H](C)c1nc(C)c(-c2nc3cccc(I)c3[nH]2)s1	ZINC000587014401	HJ	Annotated	Anodyne	
CCO[C@@H](C)c1nc(C)c(-c2nc3cccc(I)c3[nH]2)s1	ZINC000587014403	HJ	Annotated	Anodyne	
Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2nc(Br)c[nH]c-2n1	ZINC000587014412	HJ	Annotated	Anodyne	
CCO[C@H](C)c1nc(C)c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)s1	ZINC000587014517	HJ	Annotated	Anodyne	
CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)s1	ZINC000587014518	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(N)ccnc4[nH]3)cs2)cc1	ZINC000587014646	HJ	Annotated	Anodyne	
CCO[C@H](C)c1nc(C)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)s1	ZINC000587014687	HJ	Annotated	Anodyne	
CCO[C@@H](C)c1nc(C)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)s1	ZINC000587014688	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccnc(O)c4[nH]3)cs2)cc1	ZINC000587014707	HJ	Annotated	Anodyne	
CCO[C@H](C)c1nc(C)c(-c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)s1	ZINC000587014749	HJ	Annotated	Anodyne	
CCO[C@@H](C)c1nc(C)c(-c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)s1	ZINC000587014750	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cs1	ZINC000587014769	HJ	Annotated	Anodyne	
Cc1cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2cc1Br	ZINC000587014797	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c12	ZINC000587014807	HJ	Annotated	Anodyne	
CCO[C@H](C)c1nc(C)c(-c2nc3ccc(I)cc3[nH]2)s1	ZINC000587014870	HJ	Annotated	Anodyne	
CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(I)cc3[nH]2)s1	ZINC000587014871	HJ	Annotated	Anodyne	
O=C1COc2cc3[nH]c(-c4csc(-c5cc(Cl)cc(Cl)c5)n4)nc3cc2N1	ZINC000587015027	HJ	Annotated	Anodyne	
Clc1cc(Cl)cc(-c2nc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cs2)c1	ZINC000587015215	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2n1	ZINC000587015257	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2cc1Br	ZINC000587015361	HJ	Annotated	Anodyne	
Clc1cccc(-c2nc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cs2)c1Cl	ZINC000587015649	HJ	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1	ZINC000587015789	HJ	Annotated	Mild	
O=C1COc2cc3[nH]c(-c4csc(-c5cccc(Cl)c5Cl)n4)nc3cc2N1	ZINC000587015843	HJ	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc12	ZINC000587015858	HJ	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc12	ZINC000587015898	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2n1	ZINC000587015919	HJ	Annotated	Anodyne	
CCc1ccc(-c2nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cs2)cc1	ZINC000587015963	HJ	Annotated	Anodyne	
Cc1ccc(-c2nc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cs2)o1	ZINC000587016201	HJ	Annotated	Bother	
Cc1ccc(-c2nc(-c3nc4ccc(I)cc4[nH]3)cs2)o1	ZINC000587016226	HJ	Annotated	Anodyne	
CC1=C(c2ccc3nc(-c4csc(-c5ccc(Cl)cc5)n4)[nH]c3c2)NNC(=O)C1	ZINC000587016254	HJ	Annotated	Anodyne	
Cc1ccc(-c2nc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)cs2)o1	ZINC000587016283	HJ	Annotated	Anodyne	
Clc1ccc(-c2nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cs2)cc1	ZINC000587016287	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12	ZINC000587016404	HJ	Annotated	Anodyne	
Oc1c(Br)ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12	ZINC000587016466	HJ	Annotated	Anodyne	
c1cc(Nc2nc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cs2)c2cccnc2c1	ZINC000587016485	HJ	Annotated	Anodyne	
Cc1ccc(-c2nc(-c3nc4cccc(I)c4[nH]3)cs2)o1	ZINC000587016512	HJ	Annotated	Anodyne	
CCc1ccc(-c2nc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)cs2)cc1	ZINC000587016532	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1	ZINC000587016577	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1Cl	ZINC000587016624	HJ	Annotated	Bother	
Clc1ncnc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc12	ZINC000587016676	HJ	Annotated	Anodyne	
O=C(O)c1cccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12	ZINC000587016678	HJ	Annotated	Anodyne	
N#Cc1cccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12	ZINC000587016687	HJ	Annotated	Mild	
Cc1nc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2cc1Br	ZINC000587016693	HJ	Annotated	Anodyne	
FC(F)(F)C(F)(F)c1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cn1	ZINC000587016699	HJ	Annotated	Anodyne	
Oc1c(Br)ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12	ZINC000587016703	HJ	Annotated	Anodyne	
Cc1cc2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2cc1[N+](=O)[O-]	ZINC000587017006	HJ	Annotated	Bother	
CCOC(=O)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1	ZINC000587017071	HJ	Annotated	Anodyne	
Cc1ccc(-c2nc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)cs2)o1	ZINC000587017142	HJ	Annotated	Anodyne	
Cc1ccc(-c2nc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cs2)o1	ZINC000587017200	HJ	Annotated	Bother	
OCc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1	ZINC000587017244	HJ	Annotated	Anodyne	
Oc1nc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cs1	ZINC000587017255	HJ	Annotated	Anodyne	
N#Cc1cc(Cl)c2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2c1	ZINC000587017417	HJ	Annotated	Mild	
Fc1cnc(Br)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc12	ZINC000587017488	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(Br)cc2nc(Cc3csc(-c4ccco4)n3)[nH]c12	ZINC000587017578	HJ	Annotated	Bother	
O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3csc(-c4ccco4)n3)[nH]c21	ZINC000587017588	HJ	Annotated	Clean	
Fc1cnc(Br)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12	ZINC000587017632	HJ	Annotated	Anodyne	
O=[N+]([O-])c1c(Br)ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12	ZINC000587017670	HJ	Annotated	Bother	
N#Cc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1	ZINC000587017691	HJ	Annotated	Mild	
COC(=O)c1cc(Cl)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1	ZINC000587017719	HJ	Annotated	Anodyne	
FC(F)(F)c1nc(Cl)[nH]c2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)nc1-2	ZINC000587017824	HJ	Annotated	Anodyne	
FC(F)(F)c1nc(Cl)[nH]c2nc(-c3csc(-c4ncccc4Cl)n3)nc1-2	ZINC000587017887	HJ	Annotated	Anodyne	
Brc1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cn1	ZINC000587017924	HJ	Annotated	Anodyne	
Brc1cnc2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2c1	ZINC000587017973	HJ	Annotated	Anodyne	
OCCc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1	ZINC000587017987	HJ	Annotated	Anodyne	
O=C(O)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1	ZINC000587017988	HJ	Annotated	Anodyne	
Fc1cc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2cc1-n1cccn1	ZINC000587018127	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c(-c3csc(-c4ccc(C)o4)n3)nc2c1	ZINC000587018133	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc12	ZINC000587018218	HJ	Annotated	Anodyne	
Brc1cncc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12	ZINC000587018332	HJ	Annotated	Anodyne	
FC1(F)Oc2cc3nc(-c4csc(Nc5cccc6ncccc56)n4)[nH]c3cc2O1	ZINC000587018404	HJ	Annotated	Anodyne	
Clc1cnc(Cl)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc12	ZINC000587018471	HJ	Annotated	Anodyne	
Fc1cc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2cc1Cl	ZINC000587018492	HJ	Annotated	Anodyne	
Clc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c(Cl)n1	ZINC000587018582	HJ	Annotated	Anodyne	
CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(O)ncnc2[nH]1	ZINC000587018584	HJ	Annotated	Anodyne	
CC(C)Oc1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1	ZINC000587018594	HJ	Annotated	Anodyne	
Fc1cc(Cl)cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12	ZINC000587018720	HJ	Annotated	Anodyne	
CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(N)ncnc2[nH]1	ZINC000587018766	HJ	Annotated	Anodyne	
N#Cc1cc(Cl)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1	ZINC000587018774	HJ	Annotated	Mild	
COc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1Cl	ZINC000587018779	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cs1	ZINC000587018830	HJ	Annotated	Mild	
Clc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2nc1Cl	ZINC000587018856	HJ	Annotated	Anodyne	
CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(O)nc(O)nc2[nH]1	ZINC000587018868	HJ	Annotated	Anodyne	
N#Cc1cc(Cl)c2[nH]c(Cc3csc(NC(=O)Nc4ccccc4)n3)nc2c1	ZINC000587018944	HJ	Annotated	Mild	
CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cs1	ZINC000587018947	HJ	Annotated	Anodyne	
Brc1ccc(-c2nc(Cc3nc4cc5cn[nH]c5cc4[nH]3)cs2)s1	ZINC000587019008	HJ	Annotated	Anodyne	
c1cc2c(cc1-c1nc(Cc3nc4ccc5c(c4[nH]3)CCCC5)cs1)OCCO2	ZINC000587019056	HJ	Annotated	Anodyne	
O=C(Nc1nc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cs1)c1cccc(O)c1	ZINC000587019074	HJ	Annotated	Anodyne	
O=C(Nc1nc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)cs1)c1cccc(O)c1	ZINC000587019083	HJ	Annotated	Anodyne	
COc1nccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12	ZINC000587019088	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cs1	ZINC000587019100	HJ	Annotated	Anodyne	
O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)cs1	ZINC000587019113	HJ	Annotated	Anodyne	
O=C(Nc1nc(Cc2nc3cc4ccccc4cc3[nH]2)cs1)c1cccc(O)c1	ZINC000587019262	HJ	Annotated	Anodyne	
CC(C)(C)c1cccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c12	ZINC000587019282	HJ	Annotated	Anodyne	
O=C(Nc1nc(Cc2nc3cccc(Br)c3[nH]2)cs1)c1cccs1	ZINC000587019292	HJ	Annotated	Anodyne	
Clc1cnc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1Cl	ZINC000587019366	HJ	Annotated	Anodyne	
CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cnnc(O)c2[nH]1	ZINC000587019376	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)cs1	ZINC000587019410	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cs1	ZINC000587019413	HJ	Annotated	Bother	
CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(Br)cc3[nH]2)cs1	ZINC000587019422	HJ	Annotated	Anodyne	
O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc4ncccc4c3[nH]2)cs1	ZINC000587019432	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1nc(Cc2nc3cccc(Br)c3[nH]2)cs1	ZINC000587019443	HJ	Annotated	Anodyne	
O=C(Nc1ccccc1)Nc1nc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)cs1	ZINC000587019460	HJ	Annotated	Anodyne	
O=C(Nc1ccccc1)Nc1nc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cs1	ZINC000587019478	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cs1	ZINC000587019608	HJ	Annotated	Anodyne	
O=C(Nc1nc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cs1)c1cccs1	ZINC000587019649	HJ	Annotated	Anodyne	
O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cs1	ZINC000587019652	HJ	Annotated	Anodyne	
O=C(Nc1ccccc1)Nc1nc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cs1	ZINC000587019654	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1nc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)cs1	ZINC000587019671	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)cs1	ZINC000587019689	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2n1	ZINC000587019762	HJ	Annotated	Anodyne	
O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(F)c(F)c(F)c3[nH]2)cs1	ZINC000587019782	HJ	Annotated	Anodyne	
Cc1ccc2c(ccc3nc(Cc4csc(NC(=O)c5cccs5)n4)[nH]c32)n1	ZINC000587019786	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cs1	ZINC000587019794	HJ	Annotated	Anodyne	
O=C(Nc1ccccc1)Nc1nc(Cc2nc3cnc4ccccc4c3[nH]2)cs1	ZINC000587019801	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)cs1	ZINC000587019842	HJ	Annotated	Anodyne	
O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)cs1	ZINC000587019867	HJ	Annotated	Anodyne	
O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)cs1	ZINC000587019915	HJ	Annotated	Anodyne	
O=C(Nc1nc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cs1)c1cccs1	ZINC000587019928	HJ	Annotated	Anodyne	
COc1cncc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12	ZINC000587019969	HJ	Annotated	Anodyne	
Cc1nc(COc2cccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)cs1	ZINC000587020003	HJ	Annotated	Anodyne	
Cc1nc(COc2cccc(-c3nc4ccnc(Br)c4[nH]3)c2)cs1	ZINC000587020023	HJ	Annotated	Anodyne	
O=C(Nc1nc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)cs1)c1cccs1	ZINC000587020058	HJ	Annotated	Anodyne	
Cc1nc(COc2cccc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)c2)cs1	ZINC000587020059	HJ	Annotated	Anodyne	
COc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2n1	ZINC000587020075	HJ	Annotated	Anodyne	
O=C(Nc1nc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cs1)c1cccs1	ZINC000587020117	HJ	Annotated	Anodyne	
Brc1ccc(-c2nc(Cc3nc4cc5c(cc4[nH]3)OCO5)cs2)s1	ZINC000587020157	HJ	Annotated	Anodyne	
COc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cn1	ZINC000587020171	HJ	Annotated	Anodyne	
Cc1nc(COc2cccc(-c3nc4c(Br)ccnc4[nH]3)c2)cs1	ZINC000587020180	HJ	Annotated	Anodyne	
Cc1nc(COc2cccc(-c3nc4cncc(Br)c4[nH]3)c2)cs1	ZINC000587020192	HJ	Annotated	Anodyne	
Cc1nc(COc2cccc(-c3nc4ccc(Br)nc4[nH]3)c2)cs1	ZINC000587020209	HJ	Annotated	Anodyne	
Cc1nc(COc2cccc(-c3nc4c(F)cnc(Br)c4[nH]3)c2)cs1	ZINC000587020213	HJ	Annotated	Anodyne	
Cc1nc(COc2cccc(-c3nc4cc(Br)cnc4[nH]3)c2)cs1	ZINC000587020340	HJ	Annotated	Anodyne	
Cc1nc(-c2c[nH]cc2-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cs1	ZINC000587020557	HJ	Annotated	Bother	
Cc1nc(COc2cccc(-c3nc4cc(Br)ncc4[nH]3)c2)cs1	ZINC000587020591	HJ	Annotated	Anodyne	
Cc1csc(SCc2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2)n1	ZINC000587020684	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2c1	ZINC000587020809	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1Br	ZINC000587020898	HJ	Annotated	Anodyne	
Ic1cccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12	ZINC000587020909	HJ	Annotated	Anodyne	
CCCOc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1Br	ZINC000587020941	HJ	Annotated	Anodyne	
O=[N+]([O-])c1c(Br)ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12	ZINC000587020963	HJ	Annotated	Bother	
O=C(O)c1cc(Br)cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12	ZINC000587021247	HJ	Annotated	Anodyne	
N#Cc1ncc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)s1	ZINC000587021383	HJ	Annotated	Mild	
Cc1nc(-c2c[nH]cc2-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cs1	ZINC000587021402	HJ	Annotated	Clean	
Nc1nc(-c2cccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)cs1	ZINC000587021453	HJ	Annotated	Clean	
O=[N+]([O-])c1cc(Br)cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12	ZINC000587021527	HJ	Annotated	Bother	
Cc1csc(SCc2ccc(-c3nc4c(S)nc(S)nc4[nH]3)cc2)n1	ZINC000587021570	HJ	Annotated	Anodyne	
Cc1nc(-c2c[nH]cc2-c2nc3ccc(I)cc3[nH]2)cs1	ZINC000587021602	HJ	Annotated	Anodyne	
Nc1nc(-c2cccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)cs1	ZINC000587021697	HJ	Annotated	Anodyne	
CC(C)CCOc1cc2nc(-c3cnc([C@H](C)O)s3)[nH]c2cc1Br	ZINC000587021725	HJ	Annotated	Anodyne	
CC(C)CCOc1cc2nc(-c3cnc([C@@H](C)O)s3)[nH]c2cc1Br	ZINC000587021727	HJ	Annotated	Anodyne	
Cc1csc(SCc2ccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CO5)cc2)n1	ZINC000587021733	HJ	Annotated	Anodyne	
Cc1nc(-c2c[nH]cc2-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cs1	ZINC000587021734	HJ	Annotated	Bother	
Nc1nc(-c2cccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)cs1	ZINC000587021749	HJ	Annotated	Anodyne	
Ic1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1	ZINC000587021772	HJ	Annotated	Anodyne	
Cc1nc(-c2c[nH]cc2-c2nc3cccc(I)c3[nH]2)cs1	ZINC000587021933	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c(-c3c[nH]cc3-c3csc(C)n3)nc2c1	ZINC000587022096	HJ	Annotated	Anodyne	
Nc1nc(-c2cccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)cs1	ZINC000587022466	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(C(F)(F)F)c(C#N)cc3[nH]2)s1	ZINC000587022892	HJ	Annotated	Mild	
O=S(=O)(c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1)C(F)(F)F	ZINC000587022977	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)s1	ZINC000587023268	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(F)cc(Br)cc3[nH]2)s1	ZINC000587023273	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)s1	ZINC000587023518	HJ	Annotated	Anodyne	
O=C(O)c1cc(Br)cc2[nH]c(-c3ccc(-c4nccs4)s3)nc12	ZINC000587023565	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Br)cc(F)cc3[nH]2)s1	ZINC000587023612	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(F)c(Br)ccc3[nH]2)s1	ZINC000587023667	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(F)c(Br)cc3[nH]2)s1	ZINC000587023712	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(O)c(Br)ccc3[nH]2)s1	ZINC000587023865	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2nc(-c3ccc(-c4nccs4)s3)[nH]c2c1	ZINC000587023926	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Br)cc(C#N)cc3[nH]2)s1	ZINC000587023983	HJ	Annotated	Mild	
CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Br)c(F)ccc3[nH]2)s1	ZINC000587024022	HJ	Annotated	Anodyne	
COc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1F	ZINC000587024549	HJ	Annotated	Anodyne	
COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1F	ZINC000587024551	HJ	Annotated	Anodyne	
COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1F	ZINC000587024553	HJ	Annotated	Anodyne	
COc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1F	ZINC000587024554	HJ	Annotated	Anodyne	
Clc1ncc(I)c2nc(CSCc3ccsc3)[nH]c12	ZINC000587024583	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1Br	ZINC000587024858	HJ	Annotated	Anodyne	
CCCOc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1Br	ZINC000587024885	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]2CCCC[C@@H]21	ZINC000587024917	HJ	Annotated	Bother	
O=C(Cc1ccsc1)N1[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]2CCCC[C@H]21	ZINC000587024920	HJ	Annotated	Bother	
O=C(Cc1ccsc1)N1[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]2CCCC[C@H]21	ZINC000587024922	HJ	Annotated	Bother	
O=C(Cc1ccsc1)N1[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]2CCCC[C@@H]21	ZINC000587024925	HJ	Annotated	Bother	
O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)ccnc3[nH]2)C[C@H]2CCCC[C@H]21	ZINC000587025245	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)ccnc3[nH]2)C[C@@H]2CCCC[C@@H]21	ZINC000587025249	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)ccnc3[nH]2)C[C@@H]2CCCC[C@H]21	ZINC000587025250	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)ccnc3[nH]2)C[C@H]2CCCC[C@@H]21	ZINC000587025251	HJ	Annotated	Anodyne	
N[C@@H](c1ccsc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1	ZINC000587025314	HJ	Annotated	Anodyne	
N[C@H](c1ccsc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1	ZINC000587025322	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3c(F)cnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21	ZINC000587025535	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3c(F)cnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21	ZINC000587025537	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3c(F)cnc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21	ZINC000587025538	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3c(F)cnc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21	ZINC000587025539	HJ	Annotated	Anodyne	
COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/c3ccsc3)[nH]c2c1	ZINC000587025604	HJ	Annotated	Anodyne	
COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\c3ccsc3)[nH]c2c1	ZINC000587025606	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3ccnc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21	ZINC000587025623	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3ccnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21	ZINC000587025627	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3ccnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21	ZINC000587025631	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3ccnc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21	ZINC000587025635	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)cc(F)c3[nH]2)C[C@H]2CCCC[C@@H]21	ZINC000587025904	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)cc(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21	ZINC000587025905	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)cc(F)c3[nH]2)C[C@@H]2CCCC[C@H]21	ZINC000587025907	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)cc(F)c3[nH]2)C[C@H]2CCCC[C@H]21	ZINC000587025911	HJ	Annotated	Anodyne	
COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C\c4ccsc4)[nH]c3c2)cc1	ZINC000587025975	HJ	Annotated	Anodyne	
COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C/c4ccsc4)[nH]c3c2)cc1	ZINC000587025976	HJ	Annotated	Anodyne	
Cc1ncsc1CCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1	ZINC000587026133	HJ	Annotated	Anodyne	
Cc1ncsc1CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1	ZINC000587026313	HJ	Annotated	Anodyne	
Cc1oc(-c2ccsc2)nc1Cc1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000587026356	HJ	Annotated	Anodyne	
Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	ZINC000587026406	HJ	Annotated	Bother	
Cc1ncsc1CCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1	ZINC000587026429	HJ	Annotated	Anodyne	
Ic1cnc2[nH]c(-c3cccc(-c4ccsc4)c3)nc2c1	ZINC000587026508	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(CSCc3ccsc3)nc2c1	ZINC000587026626	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)c(F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21	ZINC000587026684	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)c(F)cc3[nH]2)C[C@@H]2CCCC[C@H]21	ZINC000587026687	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)c(F)cc3[nH]2)C[C@H]2CCCC[C@@H]21	ZINC000587026688	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)c(F)cc3[nH]2)C[C@H]2CCCC[C@H]21	ZINC000587026689	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(F)c(F)c3[nH]2)C[C@H]2CCCC[C@@H]21	ZINC000587026744	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21	ZINC000587026745	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@H]21	ZINC000587026747	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(F)c(F)c3[nH]2)C[C@H]2CCCC[C@H]21	ZINC000587026749	HJ	Annotated	Anodyne	
Cc1oc(-c2ccsc2)nc1Cc1nc2cccc(I)c2[nH]1	ZINC000587026787	HJ	Annotated	Anodyne	
Cc1cc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2cc1[N+](=O)[O-]	ZINC000587026947	HJ	Annotated	Bother	
Cc1cc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2cc1[N+](=O)[O-]	ZINC000587026953	HJ	Annotated	Bother	
Cc1cc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2cc1[N+](=O)[O-]	ZINC000587026954	HJ	Annotated	Bother	
Cc1cc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2cc1[N+](=O)[O-]	ZINC000587026961	HJ	Annotated	Bother	
O=C(Cc1ccsc1)N1[C@H](c2nc3cncc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21	ZINC000587027000	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cncc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21	ZINC000587027001	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cncc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21	ZINC000587027002	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(CCc3scnc3C)[nH]c2c(F)c1Nc1ccccc1	ZINC000587027003	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cncc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21	ZINC000587027004	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Cl)nc3[nH]2)C[C@H]2CCCC[C@H]21	ZINC000587027011	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Cl)nc3[nH]2)C[C@@H]2CCCC[C@@H]21	ZINC000587027012	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Cl)nc3[nH]2)C[C@@H]2CCCC[C@H]21	ZINC000587027014	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Cl)nc3[nH]2)C[C@H]2CCCC[C@@H]21	ZINC000587027015	HJ	Annotated	Anodyne	
Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(I)cc2[nH]1	ZINC000587027126	HJ	Annotated	Anodyne	
Cc1ncsc1CCc1nc2c(Br)ccc(Br)c2[nH]1	ZINC000587027169	HJ	Annotated	Anodyne	
Cc1ncsc1CCc1nc2cc(Br)c(Br)cc2[nH]1	ZINC000587027212	HJ	Annotated	Anodyne	
CCCCCOc1cc2nc([C@H](N)Cc3cscn3)[nH]c2cc1Br	ZINC000587027495	HJ	Annotated	Anodyne	
Cc1ncsc1-c1c[nH]cc1-c1nc2cccc(I)c2[nH]1	ZINC000587027508	HJ	Annotated	Anodyne	
Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	ZINC000587027604	HJ	Annotated	Bother	
Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1	ZINC000587027620	HJ	Annotated	Anodyne	
Cc1oc(-c2ccsc2)nc1Cc1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587027658	HJ	Annotated	Anodyne	
Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	ZINC000587027687	HJ	Annotated	Bother	
O=C(Cc1ccsc1)N1[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@H]2CCCC[C@@H]21	ZINC000587027824	HJ	Annotated	Bother	
O=C(Cc1ccsc1)N1[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@@H]2CCCC[C@@H]21	ZINC000587027825	HJ	Annotated	Bother	
O=C(Cc1ccsc1)N1[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@@H]2CCCC[C@H]21	ZINC000587027827	HJ	Annotated	Bother	
O=C(Cc1ccsc1)N1[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@H]2CCCC[C@H]21	ZINC000587027829	HJ	Annotated	Bother	
Brc1cnc(Br)c2[nH]c(CSCc3ccsc3)nc12	ZINC000587027866	HJ	Annotated	Anodyne	
CC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1	ZINC000587027968	HJ	Annotated	Anodyne	
CC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1	ZINC000587027973	HJ	Annotated	Anodyne	
CC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1	ZINC000587027974	HJ	Annotated	Anodyne	
CC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1	ZINC000587027975	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)C[C@@H]2CCCC[C@@H]21	ZINC000587027977	HJ	Annotated	Anodyne	
Ic1cccc2nc(-c3ncsc3-c3ccccc3)[nH]c12	ZINC000587027981	HJ	Annotated	Anodyne	
Cc1ncsc1-c1c[nH]cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	ZINC000587028019	HJ	Annotated	Bother	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)C[C@@H]2CCCC[C@H]21	ZINC000587028056	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)C[C@H]2CCCC[C@@H]21	ZINC000587028057	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)C[C@H]2CCCC[C@H]21	ZINC000587028058	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)ncc3[nH]2)C[C@H]2CCCC[C@@H]21	ZINC000587028164	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)ncc3[nH]2)C[C@@H]2CCCC[C@@H]21	ZINC000587028165	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)ncc3[nH]2)C[C@@H]2CCCC[C@H]21	ZINC000587028166	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)ncc3[nH]2)C[C@H]2CCCC[C@H]21	ZINC000587028167	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c(-c3ncsc3-c3ccccc3)nc2c1	ZINC000587028281	HJ	Annotated	Anodyne	
Ic1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1	ZINC000587028289	HJ	Annotated	Anodyne	
O=C(O)c1cc(Br)cc2nc(-c3ncsc3-c3ccccc3)[nH]c12	ZINC000587028334	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c(-c3c[nH]cc3-c3scnc3C)nc2c1	ZINC000587028645	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)cnc3[nH]2)C[C@H]2CCCC[C@@H]21	ZINC000587028716	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)cnc3[nH]2)C[C@@H]2CCCC[C@@H]21	ZINC000587028717	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)cnc3[nH]2)C[C@@H]2CCCC[C@H]21	ZINC000587028718	HJ	Annotated	Anodyne	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)cnc3[nH]2)C[C@H]2CCCC[C@H]21	ZINC000587028719	HJ	Annotated	Anodyne	
Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(I)cc2[nH]1	ZINC000587028752	HJ	Annotated	Anodyne	
Cc1ncsc1-c1c[nH]cc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000587028789	HJ	Annotated	Clean	
Cc1c(-c2nc3c(F)c(Br)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587028934	HJ	Annotated	Anodyne	
Cc1c(-c2nc3c(Br)c(F)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587028977	HJ	Annotated	Anodyne	
Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587029013	HJ	Annotated	Bother	
N#Cc1cc(Br)c2[nH]c(-c3ccccc3OCc3cscn3)nc2c1	ZINC000587029036	HJ	Annotated	Mild	
Nc1c(-c2nc3c(Br)ccnc3[nH]2)sc2cc(Br)ccc12	ZINC000587029079	HJ	Annotated	Anodyne	
FC(F)(F)c1nc(Cl)[nH]c2nc(-c3ccccc3OCc3cscn3)nc1-2	ZINC000587029080	HJ	Annotated	Anodyne	
Cc1c(-c2nc3cc(C(F)(F)F)c(C#N)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587029096	HJ	Annotated	Mild	
Cc1cc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2cc1Br	ZINC000587029138	HJ	Annotated	Anodyne	
Oc1c(Br)ccc2nc(-c3ccccc3OCc3cscn3)[nH]c12	ZINC000587029280	HJ	Annotated	Anodyne	
Cc1c(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587029310	HJ	Annotated	Anodyne	
Fc1cnc(Br)c2[nH]c(-c3ccccc3OCc3cscn3)nc12	ZINC000587029315	HJ	Annotated	Anodyne	
Cc1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587029352	HJ	Annotated	Bother	
Cc1c(-c2nc3c(C)c(Br)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587029354	HJ	Annotated	Anodyne	
Cc1c(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587029383	HJ	Annotated	Anodyne	
Cc1c(-c2nc3c(F)cc(Br)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587029463	HJ	Annotated	Anodyne	
Cc1cc(Br)c2nc(-c3sc4c(c3C)C(=O)N3CCC=C3N4)[nH]c2c1	ZINC000587029486	HJ	Annotated	Anodyne	
Cc1c(-c2nc3c(Br)cc(F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587029609	HJ	Annotated	Anodyne	
Cc1c(-c2nc3c(OC(F)(F)F)cccc3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587029683	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(-c3ccccc3OCc3cscn3)nc12	ZINC000587029776	HJ	Annotated	Anodyne	
Cc1c(-c2nc3c(C)cc(Br)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587029867	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(-c3ccccc3OCc3cscn3)nc2cc1Br	ZINC000587029973	HJ	Annotated	Anodyne	
Cc1c(-c2nc3cc(F)c(Br)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587030061	HJ	Annotated	Anodyne	
Cc1c(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587030117	HJ	Annotated	Anodyne	
Nc1c(-c2nc3ccnc(Br)c3[nH]2)sc2cc(Br)ccc12	ZINC000587030162	HJ	Annotated	Anodyne	
COc1ccc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1	ZINC000587030196	HJ	Annotated	Anodyne	
COc1ccc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1	ZINC000587030198	HJ	Annotated	Anodyne	
COc1ccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1	ZINC000587030199	HJ	Annotated	Anodyne	
COc1ccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1	ZINC000587030201	HJ	Annotated	Anodyne	
Nc1c(-c2nc3cc(Br)cnc3[nH]2)sc2cc(Br)ccc12	ZINC000587030273	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(F)cnc(Cl)c3[nH]1)N2	ZINC000587030279	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(F)cnc(Cl)c3[nH]1)N2	ZINC000587030281	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(F)cnc(Cl)c3[nH]1)N2	ZINC000587030282	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(F)cnc(Cl)c3[nH]1)N2	ZINC000587030284	HJ	Annotated	Anodyne	
Nc1c(-c2nc3cc(Br)ncc3[nH]2)sc2cc(Br)ccc12	ZINC000587030285	HJ	Annotated	Anodyne	
N#Cc1nc(Cl)cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c12	ZINC000587030382	HJ	Annotated	Mild	
Nc1c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)sc2cc(Br)ccc12	ZINC000587030402	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cncc(Cl)c3[nH]1)N2	ZINC000587030414	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cncc(Cl)c3[nH]1)N2	ZINC000587030415	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cncc(Cl)c3[nH]1)N2	ZINC000587030416	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cncc(Cl)c3[nH]1)N2	ZINC000587030417	HJ	Annotated	Anodyne	
Nc1c(-c2nc3cncc(Br)c3[nH]2)sc2cc(Br)ccc12	ZINC000587030553	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(Cl)ccnc3[nH]1)N2	ZINC000587030557	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(Cl)ccnc3[nH]1)N2	ZINC000587030559	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(Cl)ccnc3[nH]1)N2	ZINC000587030560	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(Cl)ccnc3[nH]1)N2	ZINC000587030561	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Cl)ncc3[nH]1)N2	ZINC000587030585	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Cl)ncc3[nH]1)N2	ZINC000587030586	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Cl)ncc3[nH]1)N2	ZINC000587030587	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Cl)ncc3[nH]1)N2	ZINC000587030588	HJ	Annotated	Anodyne	
Nc1c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)sc2cc(Br)ccc12	ZINC000587030607	HJ	Annotated	Bother	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(F)c(F)cc3[nH]1)N2	ZINC000587030629	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(F)c(F)cc3[nH]1)N2	ZINC000587030630	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(F)c(F)cc3[nH]1)N2	ZINC000587030631	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(F)c(F)cc3[nH]1)N2	ZINC000587030632	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccnc(Cl)c3[nH]1)N2	ZINC000587030633	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccnc(Cl)c3[nH]1)N2	ZINC000587030634	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccnc(Cl)c3[nH]1)N2	ZINC000587030635	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccnc(Cl)c3[nH]1)N2	ZINC000587030636	HJ	Annotated	Anodyne	
Nc1c(-c2nc3cc4c(cc3[nH]2)OCCO4)sc2cc(Br)ccc12	ZINC000587030746	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc([N+](=O)[O-])cc3[nH]1)N2	ZINC000587030794	HJ	Annotated	Bother	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc([N+](=O)[O-])cc3[nH]1)N2	ZINC000587030797	HJ	Annotated	Bother	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc([N+](=O)[O-])cc3[nH]1)N2	ZINC000587030798	HJ	Annotated	Bother	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc([N+](=O)[O-])cc3[nH]1)N2	ZINC000587030799	HJ	Annotated	Bother	
Nc1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)sc2cc(Br)ccc12	ZINC000587030928	HJ	Annotated	Anodyne	
Nc1c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)sc2cc(Br)ccc12	ZINC000587030929	HJ	Annotated	Anodyne	
Nc1c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)sc2cc(Br)ccc12	ZINC000587030930	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(F)c(F)c3[nH]1)N2	ZINC000587031159	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(F)c(F)c3[nH]1)N2	ZINC000587031161	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(F)c(F)c3[nH]1)N2	ZINC000587031163	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(F)c(F)c3[nH]1)N2	ZINC000587031166	HJ	Annotated	Anodyne	
Brc1ccc(Br)c2[nH]c(-c3csc4c3CCOC4)nc12	ZINC000587031294	HJ	Annotated	Anodyne	
COc1cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2cc1F	ZINC000587031433	HJ	Annotated	Anodyne	
Nc1c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)sc2cc(Br)ccc12	ZINC000587031456	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccc([N+](=O)[O-])c3[nH]1)N2	ZINC000587031459	HJ	Annotated	Bother	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cccc([N+](=O)[O-])c3[nH]1)N2	ZINC000587031461	HJ	Annotated	Bother	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccc([N+](=O)[O-])c3[nH]1)N2	ZINC000587031463	HJ	Annotated	Bother	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccc([N+](=O)[O-])c3[nH]1)N2	ZINC000587031465	HJ	Annotated	Bother	
CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2C1	ZINC000587031494	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc(-c4csc5c4CCOC5)[nH]c3c2)cc1	ZINC000587031546	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Cl)nc(C#N)c4[nH]3)c2C1	ZINC000587031740	HJ	Annotated	Mild	
C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(=O)(=O)O)ccc4[nH]3)c21	ZINC000587031786	HJ	Annotated	Anodyne	
C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(=O)(=O)O)ccc4[nH]3)c21	ZINC000587031788	HJ	Annotated	Anodyne	
Nc1c(-c2nc3ccc(Br)nc3[nH]2)sc2cc(Br)ccc12	ZINC000587031813	HJ	Annotated	Anodyne	
CC(=O)c1ccc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1	ZINC000587031823	HJ	Annotated	Anodyne	
CC(=O)c1ccc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1	ZINC000587031833	HJ	Annotated	Anodyne	
CC(=O)c1ccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1	ZINC000587031834	HJ	Annotated	Anodyne	
CC(=O)c1ccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1	ZINC000587031837	HJ	Annotated	Anodyne	
COc1cc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1F	ZINC000587031886	HJ	Annotated	Anodyne	
COc1cc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1F	ZINC000587031891	HJ	Annotated	Anodyne	
COc1cc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1F	ZINC000587031894	HJ	Annotated	Anodyne	
COc1cc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1F	ZINC000587031897	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c(-c3csc4ccc(O)cc34)nc2c1	ZINC000587031927	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2C1	ZINC000587031993	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c2C1	ZINC000587032091	HJ	Annotated	Bother	
CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2C1	ZINC000587032129	HJ	Annotated	Anodyne	
COC(=O)c1cccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c12	ZINC000587032139	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1	ZINC000587032176	HJ	Annotated	Anodyne	
Cc1cnc(Cl)c2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc12	ZINC000587032191	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc4cn[nH]c4cc3[nH]1)N2	ZINC000587032291	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc4cn[nH]c4cc3[nH]1)N2	ZINC000587032294	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc4cn[nH]c4cc3[nH]1)N2	ZINC000587032296	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc4cn[nH]c4cc3[nH]1)N2	ZINC000587032298	HJ	Annotated	Anodyne	
COc1cccc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c12	ZINC000587032324	HJ	Annotated	Anodyne	
COc1cccc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c12	ZINC000587032329	HJ	Annotated	Anodyne	
COc1cccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c12	ZINC000587032331	HJ	Annotated	Anodyne	
COc1cccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c12	ZINC000587032334	HJ	Annotated	Anodyne	
Brc1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1Br	ZINC000587032435	HJ	Annotated	Anodyne	
Nc1c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)sc2cc(Br)ccc12	ZINC000587032459	HJ	Annotated	Anodyne	
COc1cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2cc1OC	ZINC000587032468	HJ	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc2c1	ZINC000587032489	HJ	Annotated	Anodyne	
Nc1c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)sc2cc(Br)ccc12	ZINC000587032490	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(F)cc(F)c3[nH]1)N2	ZINC000587032492	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(F)cc(F)c3[nH]1)N2	ZINC000587032493	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(F)cc(F)c3[nH]1)N2	ZINC000587032495	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(F)cc(F)c3[nH]1)N2	ZINC000587032497	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Cl)cnc3[nH]1)N2	ZINC000587032602	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Cl)cnc3[nH]1)N2	ZINC000587032605	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Cl)cnc3[nH]1)N2	ZINC000587032606	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Cl)cnc3[nH]1)N2	ZINC000587032607	HJ	Annotated	Anodyne	
Fc1cnc(Br)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c12	ZINC000587032666	HJ	Annotated	Anodyne	
C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(C)(=O)=O)ccc4[nH]3)c21	ZINC000587032731	HJ	Annotated	Anodyne	
C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(C)(=O)=O)ccc4[nH]3)c21	ZINC000587032732	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1	ZINC000587032965	HJ	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(-c3sc4cc(Br)ccc4c3N)nc2c1	ZINC000587033255	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(Cl)nc3[nH]1)N2	ZINC000587033282	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(Cl)nc3[nH]1)N2	ZINC000587033283	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(Cl)nc3[nH]1)N2	ZINC000587033284	HJ	Annotated	Anodyne	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(Cl)nc3[nH]1)N2	ZINC000587033286	HJ	Annotated	Anodyne	
COc1cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2cc1OC	ZINC000587033381	HJ	Annotated	Anodyne	
C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc5c(cc4[nH]3)NC(=O)CO5)c21	ZINC000587033410	HJ	Annotated	Anodyne	
C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc5c(cc4[nH]3)NC(=O)CO5)c21	ZINC000587033412	HJ	Annotated	Anodyne	
FC(F)(F)c1nc(Cl)[nH]c2nc(-c3c(-n4cccc4)sc4c3CCC4)nc1-2	ZINC000587033526	HJ	Annotated	Anodyne	
Cc1cc2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc2cc1[N+](=O)[O-]	ZINC000587033965	HJ	Annotated	Bother	
O=C(NCc1nc2ccc(OCc3ccccc3)cc2[nH]1)c1cc2c(s1)CCC2	ZINC000587034300	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2nc(-c3cc4c(s3)CC[C@@H](C)C4)[nH]c2c1	ZINC000587034353	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2nc(-c3cc4c(s3)CC[C@H](C)C4)[nH]c2c1	ZINC000587034354	HJ	Annotated	Anodyne	
O=C(NCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1cc2c(s1)CCC2	ZINC000587035230	HJ	Annotated	Anodyne	
CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(C(=O)OC)c2[nH]1	ZINC000587035337	HJ	Annotated	Anodyne	
CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(C(=O)OC)c2[nH]1	ZINC000587035338	HJ	Annotated	Anodyne	
CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cnc(C(F)(F)F)[nH]c-2n1	ZINC000587035417	HJ	Annotated	Anodyne	
CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cnc(C(F)(F)F)[nH]c-2n1	ZINC000587035419	HJ	Annotated	Anodyne	
CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Cl)nc(C#N)c2[nH]1	ZINC000587035487	HJ	Annotated	Mild	
CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Cl)nc(C#N)c2[nH]1	ZINC000587035489	HJ	Annotated	Mild	
O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3SCCc4sccc43)[nH]c21	ZINC000587036477	HJ	Annotated	Clean	
O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3SCCc4sccc43)[nH]c21	ZINC000587036478	HJ	Annotated	Clean	
O=[N+]([O-])c1cc(-c2nc3ncc[nH]c-3n2)ccc1Sc1nc2ccccc2s1	ZINC000587036841	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(-c2nc3cncnc3[nH]2)ccc1Sc1nc2ccccc2s1	ZINC000587037117	HJ	Annotated	Bother	
Cc1ccc(-c2csc3ncnc(SCc4nc5cc(N)ncc5[nH]4)c23)cc1	ZINC000587037423	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(-c2nc3cnncc3[nH]2)ccc1Sc1nc2ccccc2s1	ZINC000587037451	HJ	Annotated	Bother	
Cc1ccc(-c2csc3ncnc(SCc4nc5ccnc(N)c5[nH]4)c23)cc1	ZINC000587037529	HJ	Annotated	Anodyne	
Cc1c(Br)cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1C	ZINC000587037534	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@H]3SCCc4sccc43)nc2c1	ZINC000587037681	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3SCCc4sccc43)nc2c1	ZINC000587037682	HJ	Annotated	Anodyne	
Cc1ccc(-c2csc3ncnc(SCc4nc5cc(N)c(N)cc5[nH]4)c23)cc1	ZINC000587037845	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c([C@H]3SCCc4sccc43)nc2c1	ZINC000587037881	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c([C@@H]3SCCc4sccc43)nc2c1	ZINC000587037884	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000587037973	HJ	Annotated	Bother	
Cc1ccc(-c2csc3ncnc(SCc4nc5c(N)ccnc5[nH]4)c23)cc1	ZINC000587038137	HJ	Annotated	Anodyne	
Nc1nccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12	ZINC000587038341	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(-c2nc3ccnc(O)c3[nH]2)ccc1Sc1nc2ccccc2s1	ZINC000587038375	HJ	Annotated	Bother	
CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(F)c(C(F)(F)F)cc2[nH]1	ZINC000587038441	HJ	Annotated	Anodyne	
Nc1ccnc2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc12	ZINC000587038448	HJ	Annotated	Bother	
CCOC(=O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1	ZINC000587038542	HJ	Annotated	Anodyne	
Brc1c[nH]c2nc(CCN3c4ccccc4Sc4ccccc43)nc-2n1	ZINC000587038659	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000587038667	HJ	Annotated	Anodyne	
Cc1ccc(-c2csc3ncnc(SCc4nc5ccnc(O)c5[nH]4)c23)cc1	ZINC000587038679	HJ	Annotated	Anodyne	
Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Cl)cc(Cl)c4[nH]3)cc12	ZINC000587038851	HJ	Annotated	Anodyne	
Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Cl)cc(Cl)c4[nH]3)cc12	ZINC000587038852	HJ	Annotated	Anodyne	
Brc1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cn1	ZINC000587039068	HJ	Annotated	Anodyne	
Brc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2n1	ZINC000587039090	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cn1	ZINC000587039207	HJ	Annotated	Anodyne	
O=S(=O)(O)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1	ZINC000587039219	HJ	Annotated	Anodyne	
FC(F)(F)c1c(Br)ccc2nc(Cc3csc4nccn34)[nH]c12	ZINC000587039314	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc(Cc3csc4nccn34)[nH]c2cc1Br	ZINC000587039404	HJ	Annotated	Anodyne	
CCCCOc1cc2nc(Cc3csc4nccn34)[nH]c2cc1Br	ZINC000587039420	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc4c(c3[nH]2)CCCC4)cc1	ZINC000587039531	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc4c(c3[nH]2)CCCC4)cc1	ZINC000587039532	HJ	Annotated	Anodyne	
Nc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cn1	ZINC000587039559	HJ	Annotated	Bother	
CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000587039707	HJ	Annotated	Anodyne	
Fc1cc2[nH]c(COc3ccccc3C3SCCS3)nc2cc1-n1cccn1	ZINC000587039775	HJ	Annotated	Anodyne	
FC(F)(F)C(F)(F)c1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cn1	ZINC000587039794	HJ	Annotated	Anodyne	
FC(F)(F)C(F)(F)c1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cn1	ZINC000587039796	HJ	Annotated	Anodyne	
FC(F)(F)C(F)(F)c1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cn1	ZINC000587039798	HJ	Annotated	Anodyne	
FC(F)(F)C(F)(F)c1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cn1	ZINC000587039799	HJ	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc12	ZINC000587039846	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1snnc1-c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000587039848	HJ	Annotated	Bother	
COC(=O)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2n1	ZINC000587039852	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(C(F)(F)F)cc(F)cc2[nH]1	ZINC000587039874	HJ	Annotated	Anodyne	
Sc1nc(S)c2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2n1	ZINC000587039904	HJ	Annotated	Anodyne	
FC(F)(F)Oc1cc(Br)cc2nc(Cc3csc4nccn34)[nH]c12	ZINC000587039946	HJ	Annotated	Anodyne	
FC(F)(F)c1cc(Br)cc2nc(Cc3csc4nccn34)[nH]c12	ZINC000587039957	HJ	Annotated	Anodyne	
FC(F)(F)Oc1cc2nc(Cc3csc4nccn34)[nH]c2cc1Br	ZINC000587039975	HJ	Annotated	Anodyne	
O=C1COc2cc3[nH]c(CCN4c5ccccc5Sc5ccccc54)nc3cc2N1	ZINC000587039989	HJ	Annotated	Anodyne	
Cc1c(Br)cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1C	ZINC000587040055	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1	ZINC000587040129	HJ	Annotated	Anodyne	
Clc1cc(Br)cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12	ZINC000587040358	HJ	Annotated	Anodyne	
Clc1cc(Br)cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12	ZINC000587040359	HJ	Annotated	Anodyne	
Clc1cc(Br)cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12	ZINC000587040360	HJ	Annotated	Anodyne	
Clc1cc(Br)cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12	ZINC000587040361	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1	ZINC000587040672	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1	ZINC000587040673	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1	ZINC000587040674	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Cl)cc(C)c3[nH]2)cc1	ZINC000587040708	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Cl)cc(C)c3[nH]2)cc1	ZINC000587040709	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1	ZINC000587040783	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1	ZINC000587040784	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1	ZINC000587040798	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1	ZINC000587040800	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(Cc3csc4nccn34)[nH]c2c(F)c1Nc1ccccc1	ZINC000587040885	HJ	Annotated	Anodyne	
Brc1nccc2nc(COc3ccccc3C3SCCS3)[nH]c12	ZINC000587040895	HJ	Annotated	Anodyne	
FC(F)(F)Oc1cc(Br)c2[nH]c(Cc3csc4nccn34)nc2c1	ZINC000587040908	HJ	Annotated	Anodyne	
Cc1c(Br)cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1C	ZINC000587040963	HJ	Annotated	Anodyne	
Cc1c(Br)cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1C	ZINC000587040964	HJ	Annotated	Anodyne	
Cc1c(Br)cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1C	ZINC000587040965	HJ	Annotated	Anodyne	
Cc1c(Br)cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1C	ZINC000587040966	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(OC(C)C)cc3[nH]2)cc1	ZINC000587041043	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(OC(C)C)cc3[nH]2)cc1	ZINC000587041044	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	ZINC000587041054	HJ	Annotated	Clean	
CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc4nc(C)ccc4c3[nH]2)cc1	ZINC000587041068	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc4nc(C)ccc4c3[nH]2)cc1	ZINC000587041069	HJ	Annotated	Anodyne	
FC(F)(F)c1cc(Br)c2[nH]c(Cc3csc4nccn34)nc2c1	ZINC000587041128	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12	ZINC000587041149	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12	ZINC000587041150	HJ	Annotated	Anodyne	
CN(C)CCOc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1	ZINC000587041254	HJ	Annotated	Anodyne	
FC(F)(F)c1cc2nc(Cc3csc4nccn34)[nH]c2cc1Br	ZINC000587041478	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1	ZINC000587041520	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000587041597	HJ	Annotated	Bother	
Clc1ncc(I)c2nc([C@@H]3Cc4ccccc4S3)[nH]c12	ZINC000587041702	HJ	Annotated	Anodyne	
Clc1ncc(I)c2nc([C@H]3Cc4ccccc4S3)[nH]c12	ZINC000587041718	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1	ZINC000587041719	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1	ZINC000587041720	HJ	Annotated	Anodyne	
CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Cl)cc(Br)c2[nH]1	ZINC000587041750	HJ	Annotated	Anodyne	
CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1	ZINC000587041756	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(Cl)c(C)c3[nH]2)cc1	ZINC000587041890	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(Cl)c(C)c3[nH]2)cc1	ZINC000587041891	HJ	Annotated	Anodyne	
O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(Br)cc2[nH]1	ZINC000587042076	HJ	Annotated	Anodyne	
O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(Br)cc2[nH]1	ZINC000587042078	HJ	Annotated	Anodyne	
O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(Cl)c(F)c(F)c2[nH]1	ZINC000587042134	HJ	Annotated	Anodyne	
O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(Cl)c(F)c(F)c2[nH]1	ZINC000587042137	HJ	Annotated	Anodyne	
Brc1cncc2nc(COc3ccccc3C3SCCS3)[nH]c12	ZINC000587042326	HJ	Annotated	Anodyne	
Brc1ccnc2[nH]c(COc3ccccc3C3SCCS3)nc12	ZINC000587042336	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1	ZINC000587042357	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12	ZINC000587042494	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12	ZINC000587042495	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Cl)cc(F)c3[nH]2)cc1	ZINC000587042554	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Cl)cc(F)c3[nH]2)cc1	ZINC000587042555	HJ	Annotated	Anodyne	
Clc1cc(Br)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1	ZINC000587042648	HJ	Annotated	Anodyne	
Clc1cc(Br)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1	ZINC000587042649	HJ	Annotated	Anodyne	
Clc1cc(Br)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1	ZINC000587042650	HJ	Annotated	Anodyne	
Clc1cc(Br)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1	ZINC000587042651	HJ	Annotated	Anodyne	
Brc1cnc2[nH]c(COc3ccccc3C3SCCS3)nc2c1	ZINC000587042655	HJ	Annotated	Anodyne	
c1ccc(C2SCCS2)c(OCc2nc3cc4c(cc3[nH]2)OCCCO4)c1	ZINC000587042691	HJ	Annotated	Anodyne	
Cc1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1Br	ZINC000587042758	HJ	Annotated	Anodyne	
Cc1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1Br	ZINC000587042760	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3Cc4ccccc4S3)nc2c1	ZINC000587042832	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@H]3Cc4ccccc4S3)nc2c1	ZINC000587042835	HJ	Annotated	Anodyne	
Fc1c(Br)cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1F	ZINC000587042939	HJ	Annotated	Anodyne	
Fc1c(Br)cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1F	ZINC000587042940	HJ	Annotated	Anodyne	
Fc1c(Br)cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1F	ZINC000587042941	HJ	Annotated	Anodyne	
Fc1c(Br)cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1F	ZINC000587042942	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1	ZINC000587043046	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1	ZINC000587043048	HJ	Annotated	Anodyne	
C=CCN1C(=O)S[C@@H](Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C1=O	ZINC000587043196	HJ	Annotated	Mild	
C=CCN1C(=O)S[C@H](Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C1=O	ZINC000587043197	HJ	Annotated	Mild	
CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Br)cc(Cl)c2[nH]1	ZINC000587043397	HJ	Annotated	Anodyne	
CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1	ZINC000587043398	HJ	Annotated	Anodyne	
FC1(F)Oc2cc3nc(COc4ccccc4C4SCCS4)[nH]c3cc2O1	ZINC000587043421	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cccc(C(F)(F)F)c3[nH]2)cc1	ZINC000587043640	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cccc(C(F)(F)F)c3[nH]2)cc1	ZINC000587043641	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1	ZINC000587043708	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1	ZINC000587043709	HJ	Annotated	Anodyne	
O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cccc(Br)c2[nH]1	ZINC000587043872	HJ	Annotated	Anodyne	
O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cccc(Br)c2[nH]1	ZINC000587043873	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1	ZINC000587043982	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1	ZINC000587043983	HJ	Annotated	Anodyne	
O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cccc(OC(F)(F)F)c2[nH]1	ZINC000587044040	HJ	Annotated	Anodyne	
O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cccc(OC(F)(F)F)c2[nH]1	ZINC000587044041	HJ	Annotated	Anodyne	
Brc1cnc(Br)c2[nH]c([C@@H]3Cc4ccccc4S3)nc12	ZINC000587044060	HJ	Annotated	Anodyne	
Brc1cnc(Br)c2[nH]c([C@H]3Cc4ccccc4S3)nc12	ZINC000587044061	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1Br	ZINC000587044164	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1	ZINC000587044232	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1	ZINC000587044233	HJ	Annotated	Anodyne	
CCCOc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1Br	ZINC000587044338	HJ	Annotated	Anodyne	
COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(Br)ccnc2[nH]1	ZINC000587044469	HJ	Annotated	Anodyne	
COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(Br)nc2[nH]1	ZINC000587044488	HJ	Annotated	Anodyne	
COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccnc(Br)c2[nH]1	ZINC000587044507	HJ	Annotated	Anodyne	
COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1	ZINC000587044522	HJ	Annotated	Anodyne	
COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cncc(Br)c2[nH]1	ZINC000587044640	HJ	Annotated	Anodyne	
COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(Br)cnc2[nH]1	ZINC000587044660	HJ	Annotated	Anodyne	
COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(Br)ncc2[nH]1	ZINC000587044824	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(-c3c(OC)c(Cl)cc(Cl)c3OC)nc2c1	ZINC000587044874	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(-c3c(OC)c(Cl)cc(Cl)c3OC)[nH]c2c1	ZINC000587044948	HJ	Annotated	Anodyne	
COc1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc(Cl)c1OCC(C)C	ZINC000587045657	HJ	Annotated	Bother	
COc1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(Cl)c1OCC(C)C	ZINC000587045904	HJ	Annotated	Anodyne	
COc1cc(/C=C\c2nc3c(S)nc(S)nc3[nH]2)cc(Cl)c1OCC(C)C	ZINC000587045995	HJ	Annotated	Anodyne	
COc1cc(/C=C/c2nc3c(S)nc(S)nc3[nH]2)cc(Cl)c1OCC(C)C	ZINC000587045996	HJ	Annotated	Anodyne	
COc1cc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)cc(Cl)c1OCC(C)C	ZINC000587046250	HJ	Annotated	Anodyne	
COc1cc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc(Cl)c1OCC(C)C	ZINC000587046412	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1OC	ZINC000587046437	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2n1	ZINC000587046544	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2n1	ZINC000587046545	HJ	Annotated	Anodyne	
COc1cc(/C=C\c2nc3cncc([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C	ZINC000587046714	HJ	Annotated	Bother	
COc1cc(/C=C/c2nc3cncc([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C	ZINC000587046715	HJ	Annotated	Bother	
COc1cc(/C=C\c2nc3ccc(CCO)cc3[nH]2)cc(Cl)c1OCC(C)C	ZINC000587046956	HJ	Annotated	Anodyne	
COc1cc(/C=C/c2nc3ccc(CCO)cc3[nH]2)cc(Cl)c1OCC(C)C	ZINC000587046957	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cn1	ZINC000587046980	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cn1	ZINC000587046981	HJ	Annotated	Anodyne	
NS(=O)(=O)c1cccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12	ZINC000587047075	HJ	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)nc12	ZINC000587047158	HJ	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)nc12	ZINC000587047160	HJ	Annotated	Anodyne	
O=C(O)c1cc(Br)cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12	ZINC000587047502	HJ	Annotated	Bother	
O=C(O)c1cc(Br)cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12	ZINC000587047503	HJ	Annotated	Bother	
COc1cc(/C=C\c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc(Cl)c1OCC(C)C	ZINC000587047591	HJ	Annotated	Bother	
COc1cc(/C=C/c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc(Cl)c1OCC(C)C	ZINC000587047592	HJ	Annotated	Bother	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(Cl)ccnc3[nH]2)c1	ZINC000587047837	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(Cl)ccnc3[nH]2)c1	ZINC000587047838	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(F)cc(F)c3[nH]2)c1	ZINC000587047904	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(F)cc(F)c3[nH]2)c1	ZINC000587047905	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(/C=C/c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1Cl	ZINC000587047980	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(/C=C\c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1Cl	ZINC000587047983	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(/C=C\c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1Cl	ZINC000587048069	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(/C=C/c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1Cl	ZINC000587048070	HJ	Annotated	Bother	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(C)nc(C)cc3[nH]2)c1	ZINC000587048126	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cccc(F)c3[nH]2)c1	ZINC000587048142	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cncc(Cl)c3[nH]2)c1	ZINC000587048217	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cncc(Cl)c3[nH]2)c1	ZINC000587048218	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(F)c(C)c3[nH]2)c1	ZINC000587048501	HJ	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1	ZINC000587048502	HJ	Annotated	Mild	
N#Cc1cc(Br)c2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1	ZINC000587048505	HJ	Annotated	Mild	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(Cl)ccnc3[nH]2)c1	ZINC000587048542	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(/C=C/c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1Cl	ZINC000587048665	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(/C=C\c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1Cl	ZINC000587048666	HJ	Annotated	Bother	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccnc(Cl)c3[nH]2)c1	ZINC000587048694	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cncc(Cl)c3[nH]2)c1	ZINC000587048709	HJ	Annotated	Anodyne	
O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2)c1	ZINC000587049068	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(F)c(F)cc3[nH]2)c1	ZINC000587049156	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Cl)ncc3[nH]2)c1	ZINC000587049158	HJ	Annotated	Anodyne	
CC1=C(c2ccc3nc([C@@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3c2)NNC(=O)C1	ZINC000587049489	HJ	Annotated	Anodyne	
CC1=C(c2ccc3nc([C@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3c2)NNC(=O)C1	ZINC000587049493	HJ	Annotated	Anodyne	
CC1=C(c2ccc3nc([C@@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3c2)NNC(=O)C1	ZINC000587049495	HJ	Annotated	Anodyne	
CC1=C(c2ccc3nc([C@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3c2)NNC(=O)C1	ZINC000587049497	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C)c(F)cc3[nH]2)c1	ZINC000587049549	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Cl)ncc3[nH]2)c1	ZINC000587049701	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Cl)ncc3[nH]2)c1	ZINC000587049703	HJ	Annotated	Anodyne	
O=Cc1cccc(-c2ccc(Cl)c(-c3nc4nc(Br)c[nH]c-4n3)c2)c1	ZINC000587049771	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccnc(Cl)c3[nH]2)c1	ZINC000587050153	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccnc(Cl)c3[nH]2)c1	ZINC000587050154	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(F)c(F)c3[nH]2)c1	ZINC000587050270	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cccc(F)c3[nH]2)c1	ZINC000587050316	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cccc(F)c3[nH]2)c1	ZINC000587050318	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(F)cc(F)c3[nH]2)c1	ZINC000587050589	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(Cl)nc3[nH]2)c1	ZINC000587050615	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C)cc(F)c3[nH]2)c1	ZINC000587050654	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(C)nc(C)cc3[nH]2)c1	ZINC000587050885	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(C)nc(C)cc3[nH]2)c1	ZINC000587050896	HJ	Annotated	Anodyne	
COc1cccc(-c2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c(Cl)c2)c1	ZINC000587051211	HJ	Annotated	Anodyne	
O=c1ccc(-c2nc3ccnc(Cl)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl	ZINC000587051829	HJ	Annotated	Anodyne	
COc1cccc(-c2ccc(-c3nc4c(S)nc(S)nc4[nH]3)c(Cl)c2)c1	ZINC000587051880	HJ	Annotated	Anodyne	
O=c1ccc(-c2nc3c(Cl)ccnc3[nH]2)cn1Cc1ccc(Cl)cc1Cl	ZINC000587051966	HJ	Annotated	Anodyne	
COc1cccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c(Cl)c2)c1	ZINC000587052020	HJ	Annotated	Anodyne	
O=c1ccc(-c2nc3ccc(Cl)nc3[nH]2)cn1Cc1ccc(Cl)cc1Cl	ZINC000587052308	HJ	Annotated	Anodyne	
O=c1ccc(-c2nc3cc(Cl)cnc3[nH]2)cn1Cc1ccc(Cl)cc1Cl	ZINC000587052355	HJ	Annotated	Anodyne	
CCc1cc(OCc2nc3cccc(I)c3[nH]2)ccc1Cl	ZINC000587052445	HJ	Annotated	Anodyne	
CCc1cc(OCc2nc3cc(C(=O)OC)cc(Br)c3[nH]2)ccc1Cl	ZINC000587052447	HJ	Annotated	Anodyne	
O=c1ccc(-c2nc3cc(Cl)ncc3[nH]2)cn1Cc1ccc(Cl)cc1Cl	ZINC000587052548	HJ	Annotated	Anodyne	
O=c1ccc(-c2nc3cncc(Cl)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl	ZINC000587052615	HJ	Annotated	Anodyne	
CCCOc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1Br	ZINC000587052776	HJ	Annotated	Anodyne	
Clc1ccc(-n2cccc2)cc1-c1nc2cc(I)cnc2[nH]1	ZINC000587052791	HJ	Annotated	Anodyne	
N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1	ZINC000587052822	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1Br	ZINC000587052831	HJ	Annotated	Anodyne	
CCc1cc(OCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)ccc1Cl	ZINC000587052947	HJ	Annotated	Anodyne	
N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Br)cc(Cl)c2[nH]1	ZINC000587052960	HJ	Annotated	Anodyne	
Oc1nc(NCc2ccccc2)c2nc(-c3cc(-n4cccc4)ccc3Cl)nc-2[nH]1	ZINC000587052980	HJ	Annotated	Anodyne	
N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Cl)cc(Br)c2[nH]1	ZINC000587053007	HJ	Annotated	Anodyne	
CCc1cc(OCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1Cl	ZINC000587053018	HJ	Annotated	Anodyne	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc3ncccc3c2[nH]1	ZINC000587053104	HJ	Annotated	Bother	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc3ncccc3c2[nH]1	ZINC000587053107	HJ	Annotated	Bother	
Cc1cc(C)c2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1	ZINC000587053137	HJ	Annotated	Bother	
Cc1cc(C)c2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1	ZINC000587053138	HJ	Annotated	Bother	
CSc1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1	ZINC000587053967	HJ	Annotated	Bother	
CSc1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1	ZINC000587053970	HJ	Annotated	Bother	
Cc1c(F)ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12	ZINC000587054317	HJ	Annotated	Bother	
Cc1c(F)ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12	ZINC000587054319	HJ	Annotated	Bother	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cnc3ccccc3c2[nH]1	ZINC000587054331	HJ	Annotated	Bother	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cnc3ccccc3c2[nH]1	ZINC000587054333	HJ	Annotated	Bother	
Cc1cc(/C=C(\C#N)c2nc3c(N)ncnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl	ZINC000587054455	HJ	Annotated	Reactive	
Cc1cc(/C=C(/C#N)c2nc3c(N)ncnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl	ZINC000587054456	HJ	Annotated	Reactive	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Cl)cc2[nH]1	ZINC000587054521	HJ	Annotated	Bother	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Cl)cc2[nH]1	ZINC000587054525	HJ	Annotated	Bother	
Cc1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1C	ZINC000587054843	HJ	Annotated	Bother	
Cc1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1C	ZINC000587054845	HJ	Annotated	Bother	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)cc(F)c2[nH]1	ZINC000587054892	HJ	Annotated	Bother	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)cc(F)c2[nH]1	ZINC000587054896	HJ	Annotated	Bother	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)c(F)cc2[nH]1	ZINC000587054936	HJ	Annotated	Bother	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)c(F)cc2[nH]1	ZINC000587054938	HJ	Annotated	Bother	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(F)c(F)c2[nH]1	ZINC000587055260	HJ	Annotated	Bother	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(F)c(F)c2[nH]1	ZINC000587055261	HJ	Annotated	Bother	
CCc1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1	ZINC000587055327	HJ	Annotated	Bother	
CCc1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1	ZINC000587055329	HJ	Annotated	Bother	
Nc1nc(Cl)c2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2n1	ZINC000587055549	HJ	Annotated	Anodyne	
Oc1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(Cl)c1	ZINC000587055583	HJ	Annotated	Anodyne	
COC(=O)c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2n1	ZINC000587056393	HJ	Annotated	Anodyne	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(Cl)c2[nH]1	ZINC000587056775	HJ	Annotated	Bother	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(Cl)c2[nH]1	ZINC000587056777	HJ	Annotated	Bother	
C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c[nH]c(=N)[nH]c-2n1	ZINC000587056906	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c[nH]c(=N)[nH]c-2n1	ZINC000587056907	HJ	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cn1	ZINC000587056936	HJ	Annotated	Anodyne	
O=c1ccc(-c2nc3c(F)cnc(Cl)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl	ZINC000587057084	HJ	Annotated	Anodyne	
COc1cccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c12	ZINC000587057135	HJ	Annotated	Anodyne	
Cc1cc(F)c2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1	ZINC000587057373	HJ	Annotated	Bother	
Cc1cc(F)c2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1	ZINC000587057376	HJ	Annotated	Bother	
O=c1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cn1Cc1ccc(Cl)cc1Cl	ZINC000587057388	HJ	Annotated	Bother	
Cc1cnc(Cl)c2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc12	ZINC000587057418	HJ	Annotated	Bother	
Cc1cnc(Cl)c2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc12	ZINC000587057428	HJ	Annotated	Bother	
C=CCc1cccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12	ZINC000587057464	HJ	Annotated	Mild	
C=CCc1cccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12	ZINC000587057465	HJ	Annotated	Mild	
Cc1ccc(C)c2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc12	ZINC000587057477	HJ	Annotated	Bother	
Cc1ccc(C)c2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc12	ZINC000587057479	HJ	Annotated	Bother	
O[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccccc1Cl	ZINC000587057656	HJ	Annotated	Anodyne	
O[C@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccccc1Cl	ZINC000587057659	HJ	Annotated	Anodyne	
Cc1cc(-c2nc3ncnc(Cl)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1	ZINC000587058123	HJ	Annotated	Anodyne	
O[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccccc1Cl	ZINC000587058482	HJ	Annotated	Anodyne	
O[C@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccccc1Cl	ZINC000587058483	HJ	Annotated	Anodyne	
Cc1cc(-c2nc3ncc(F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1	ZINC000587058663	HJ	Annotated	Anodyne	
Cc1cc(-c2nc3nc(Cl)c[nH]c-3n2)c2c(C)nn(Cc3ccccc3Cl)c2n1	ZINC000587058883	HJ	Annotated	Anodyne	
O[C@@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccccc1Cl	ZINC000587058972	HJ	Annotated	Anodyne	
O[C@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccccc1Cl	ZINC000587058973	HJ	Annotated	Anodyne	
O[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)c1ccccc1Cl	ZINC000587058999	HJ	Annotated	Anodyne	
O[C@H](c1nc2cc(Br)c(Br)cc2[nH]1)c1ccccc1Cl	ZINC000587059001	HJ	Annotated	Anodyne	
Clc1ccccc1CCc1nc2c(I)cnc(Cl)c2[nH]1	ZINC000587059013	HJ	Annotated	Anodyne	
COc1cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2cc1F	ZINC000587059165	HJ	Annotated	Anodyne	
Clc1ccccc1CCc1nc2c(Br)cnc(Br)c2[nH]1	ZINC000587059272	HJ	Annotated	Anodyne	
O[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)c1ccccc1Cl	ZINC000587059538	HJ	Annotated	Anodyne	
O[C@H](c1nc2c(Br)ccc(Br)c2[nH]1)c1ccccc1Cl	ZINC000587059539	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(CCc3ccccc3Cl)nc2c1	ZINC000587059679	HJ	Annotated	Anodyne	
Cc1cc(-c2nc3nc(Cl)ncc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1	ZINC000587059700	HJ	Annotated	Anodyne	
O=c1ccc(-c2nc3cc4cn[nH]c4cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl	ZINC000587059896	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc([C@@H](O)c4ccccc4Cl)[nH]c3c2)cc1	ZINC000587059992	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc([C@H](O)c4ccccc4Cl)[nH]c3c2)cc1	ZINC000587059993	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(CNc3ccccc3Cl)nc2c1	ZINC000587060297	HJ	Annotated	Anodyne	
Clc1ccccc1NCc1nc2c(Br)cnc(Br)c2[nH]1	ZINC000587060307	HJ	Annotated	Anodyne	
Nc1ncc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(-c2ccccc2Cl)n1	ZINC000587060319	HJ	Annotated	Anodyne	
N=c1[nH]c2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc-2c(Cl)[nH]1	ZINC000587060354	HJ	Annotated	Anodyne	
N#Cc1nc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2nc1C#N	ZINC000587060492	HJ	Annotated	Mild	
COc1cncc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc12	ZINC000587060594	HJ	Annotated	Anodyne	
COCCN1C(=O)CC[C@H](c2nc3cc(C)c(F)cc3[nH]2)[C@H]1c1ccccc1Cl	ZINC000587060644	HJ	Annotated	Anodyne	
COCCN1C(=O)CC[C@H](c2nc3cc(C)cc(F)c3[nH]2)[C@H]1c1ccccc1Cl	ZINC000587060783	HJ	Annotated	Anodyne	
CCN1C(=O)C[C@@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@@H]1c1ccccc1Cl	ZINC000587060792	HJ	Annotated	Anodyne	
COc1cc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2cn1	ZINC000587060805	HJ	Annotated	Anodyne	
Cc1cnc2nc(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)[nH]c2c1	ZINC000587060808	HJ	Annotated	Anodyne	
Nc1ncc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(-c2ccccc2Cl)n1	ZINC000587060952	HJ	Annotated	Anodyne	
Cc1cc(-c2nc3cc(O)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1	ZINC000587061035	HJ	Annotated	Anodyne	
Cc1cc(-c2nc3nccc(C)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1	ZINC000587061040	HJ	Annotated	Anodyne	
Cc1cc(-c2nc3ccnc(C)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1	ZINC000587061070	HJ	Annotated	Anodyne	
COc1nccc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc12	ZINC000587061391	HJ	Annotated	Anodyne	
CC[C@H](Oc1ccccc1Cl)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	ZINC000587061423	HJ	Annotated	Anodyne	
CC[C@@H](Oc1ccccc1Cl)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	ZINC000587061429	HJ	Annotated	Anodyne	
CCN1C(=O)C[C@@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H]1c1ccccc1Cl	ZINC000587061473	HJ	Annotated	Bother	
CCN1C(=O)C[C@@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)[C@@H]1c1ccccc1Cl	ZINC000587061495	HJ	Annotated	Anodyne	
Cc1cc(-c2nc3cc(CO)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1	ZINC000587061553	HJ	Annotated	Anodyne	
COCCN1C(=O)CC[C@H](c2nc3cc(F)cc(F)c3[nH]2)[C@H]1c1ccccc1Cl	ZINC000587061596	HJ	Annotated	Anodyne	
Nc1ncc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(-c2ccccc2Cl)n1	ZINC000587061611	HJ	Annotated	Anodyne	
Nc1ncc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(-c2ccccc2Cl)n1	ZINC000587061678	HJ	Annotated	Bother	
N#Cc1cc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2cc1C(F)(F)F	ZINC000587061755	HJ	Annotated	Mild	
Clc1ccccc1-c1nc(-c2nc3cc(I)cnc3[nH]2)co1	ZINC000587061812	HJ	Annotated	Anodyne	
Cc1cc(-c2nc3c(C)cncc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1	ZINC000587061964	HJ	Annotated	Anodyne	
COCCN1C(=O)CC[C@H](c2nc3ccc(Cl)cc3[nH]2)[C@H]1c1ccccc1Cl	ZINC000587062088	HJ	Annotated	Anodyne	
COCCN1C(=O)CC[C@H](c2nc3cc(F)c(F)cc3[nH]2)[C@H]1c1ccccc1Cl	ZINC000587062100	HJ	Annotated	Anodyne	
CCN1C(=O)C[C@@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@@H]1c1ccccc1Cl	ZINC000587062117	HJ	Annotated	Anodyne	
COCCN1C(=O)CC[C@H](c2nc3ccc(F)c(C)c3[nH]2)[C@H]1c1ccccc1Cl	ZINC000587062122	HJ	Annotated	Anodyne	
COCCN1C(=O)CC[C@H](c2nc3ccc(F)c(F)c3[nH]2)[C@H]1c1ccccc1Cl	ZINC000587062125	HJ	Annotated	Anodyne	
CCN1C(=O)C[C@@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@@H]1c1ccccc1Cl	ZINC000587062132	HJ	Annotated	Anodyne	
CCN1C(=O)C[C@@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@@H]1c1ccccc1Cl	ZINC000587062152	HJ	Annotated	Anodyne	
CCN1C(=O)C[C@@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)[C@@H]1c1ccccc1Cl	ZINC000587062164	HJ	Annotated	Anodyne	
COCCN1C(=O)CC[C@H](c2nc3cccc(Cl)c3[nH]2)[C@H]1c1ccccc1Cl	ZINC000587062168	HJ	Annotated	Anodyne	
CCN1C(=O)C[C@@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@@H]1c1ccccc1Cl	ZINC000587062174	HJ	Annotated	Anodyne	
CC[C@@H](Oc1ccccc1Cl)c1nc2cc(I)cnc2[nH]1	ZINC000587062230	HJ	Annotated	Anodyne	
CC[C@H](Oc1ccccc1Cl)c1nc2cc(I)cnc2[nH]1	ZINC000587062231	HJ	Annotated	Anodyne	
CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1	ZINC000587062257	HJ	Annotated	Anodyne	
CC[C@H](Oc1ccccc1Cl)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1	ZINC000587062258	HJ	Annotated	Anodyne	
Cc1cc(-c2nc3c(O)cccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1	ZINC000587062395	HJ	Annotated	Anodyne	
CCN1C(=O)C[C@@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@@H]1c1ccccc1Cl	ZINC000587062571	HJ	Annotated	Anodyne	
COCCN1C(=O)CC[C@H](c2nc3c(C)ccc(C)c3[nH]2)[C@H]1c1ccccc1Cl	ZINC000587062594	HJ	Annotated	Anodyne	
FC(F)(F)c1nc(Cl)[nH]c2nc(-c3coc(-c4ccccc4Cl)n3)nc1-2	ZINC000587062598	HJ	Annotated	Anodyne	
CCN1C(=O)C[C@@H](c2nc3cc(OC)c(Cl)cc3[nH]2)[C@@H]1c1ccccc1Cl	ZINC000587062604	HJ	Annotated	Anodyne	
COc1ccc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2n1	ZINC000587062650	HJ	Annotated	Anodyne	
Cc1ccc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2n1	ZINC000587062671	HJ	Annotated	Anodyne	
CCN1C(=O)C[C@@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)[C@@H]1c1ccccc1Cl	ZINC000587062682	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3c(Br)cncc3[nH]2)c1COc1ccccc1Cl	ZINC000587062945	HJ	Annotated	Anodyne	
COCCN1C(=O)CC[C@H](c2nc3cc(C)cc(C)c3[nH]2)[C@H]1c1ccccc1Cl	ZINC000587063046	HJ	Annotated	Anodyne	
COCCN1C(=O)CC[C@H](c2nc3cc(C)c(C)cc3[nH]2)[C@H]1c1ccccc1Cl	ZINC000587063052	HJ	Annotated	Anodyne	
CCc1ccc2nc([C@H]3CCC(=O)N(CCOC)[C@@H]3c3ccccc3Cl)[nH]c2c1	ZINC000587063068	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)c1COc1ccccc1Cl	ZINC000587063221	HJ	Annotated	Anodyne	
COCCN1C(=O)CC[C@H](c2nc3ccc(C)c(C)c3[nH]2)[C@H]1c1ccccc1Cl	ZINC000587063250	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3c(C#N)nc(Cl)cc3[nH]2)c1COc1ccccc1Cl	ZINC000587063320	HJ	Annotated	Mild	
Cc1onc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)c1COc1ccccc1Cl	ZINC000587063445	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3cnc(Br)cc3[nH]2)c1COc1ccccc1Cl	ZINC000587063471	HJ	Annotated	Anodyne	
Clc1ccccc1OCc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1	ZINC000587063487	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1COc1ccccc1Cl	ZINC000587063725	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3nc(Br)ccc3[nH]2)c1COc1ccccc1Cl	ZINC000587063738	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3ncc(Br)cc3[nH]2)c1COc1ccccc1Cl	ZINC000587063774	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3nccc(Br)c3[nH]2)c1COc1ccccc1Cl	ZINC000587063791	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3c(Br)nccc3[nH]2)c1COc1ccccc1Cl	ZINC000587063798	HJ	Annotated	Anodyne	
O=c1cccc(-c2nc3cc(F)c(Cl)cc3[nH]2)n1CCOc1ccccc1Cl	ZINC000587063984	HJ	Annotated	Anodyne	
O=c1cccc(-c2nc3c(ccc4ncccc43)[nH]2)n1CCOc1ccccc1Cl	ZINC000587063992	HJ	Annotated	Anodyne	
O=c1cccc(-c2nc3c(F)cc(Cl)cc3[nH]2)n1CCOc1ccccc1Cl	ZINC000587064025	HJ	Annotated	Anodyne	
CSc1ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2c1	ZINC000587064077	HJ	Annotated	Anodyne	
CN(C)CCOc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1	ZINC000587064090	HJ	Annotated	Anodyne	
COc1cnc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1Cl	ZINC000587064127	HJ	Annotated	Anodyne	
Sc1nc(S)c2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2n1	ZINC000587064199	HJ	Annotated	Anodyne	
Clc1ccccc1OCc1ccc(-c2nc3nc(Br)c[nH]c-3n2)o1	ZINC000587064291	HJ	Annotated	Anodyne	
Cc1nn(-c2cccc(-c3nc4c(F)cnc(Br)c4[nH]3)c2)c(C)c1Cl	ZINC000587064347	HJ	Annotated	Anodyne	
Nc1ccnc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc12	ZINC000587064363	HJ	Annotated	Anodyne	
O=c1cccc(-c2nc3c(F)c(F)c(F)cc3[nH]2)n1CCOc1ccccc1Cl	ZINC000587064377	HJ	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(OC(F)(F)F)c2[nH]1	ZINC000587064381	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2cc1[N+](=O)[O-]	ZINC000587064438	HJ	Annotated	Bother	
COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1	ZINC000587064498	HJ	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Br)cc(C)c2[nH]1	ZINC000587064501	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2n1	ZINC000587064503	HJ	Annotated	Anodyne	
Nc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cn1	ZINC000587064520	HJ	Annotated	Anodyne	
Nc1nccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12	ZINC000587064535	HJ	Annotated	Anodyne	
Cc1nn(-c2cccc(-c3nc4ccc(Br)nc4[nH]3)c2)c(C)c1Cl	ZINC000587064537	HJ	Annotated	Anodyne	
O=c1cccc(-c2nc3c(cnc4ccccc43)[nH]2)n1CCOc1ccccc1Cl	ZINC000587064542	HJ	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1Cl	ZINC000587064561	HJ	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2cc(F)cc(Br)c2[nH]1	ZINC000587064594	HJ	Annotated	Anodyne	
Cc1nn(-c2cccc(-c3nc4ccnc(Br)c4[nH]3)c2)c(C)c1Cl	ZINC000587064597	HJ	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(F)c(Br)c2[nH]1	ZINC000587064599	HJ	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(Br)c(C)c2[nH]1	ZINC000587064631	HJ	Annotated	Anodyne	
COc1cnc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1Cl	ZINC000587064660	HJ	Annotated	Anodyne	
COc1cnc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1Cl	ZINC000587064684	HJ	Annotated	Anodyne	
COc1cnc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)cc1Cl	ZINC000587064700	HJ	Annotated	Anodyne	
COC(=O)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1OC	ZINC000587064732	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2c1	ZINC000587064783	HJ	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1Cl	ZINC000587064800	HJ	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1Cl	ZINC000587064834	HJ	Annotated	Anodyne	
Cc1nn(-c2cccc(-c3nc4cc(Br)cnc4[nH]3)c2)c(C)c1Cl	ZINC000587064879	HJ	Annotated	Anodyne	
Cc1nn(-c2cccc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)c2)c(C)c1Cl	ZINC000587064921	HJ	Annotated	Anodyne	
COc1cnc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1Cl	ZINC000587064953	HJ	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C)cc(Br)c2[nH]1	ZINC000587064990	HJ	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(Br)c(F)c2[nH]1	ZINC000587065001	HJ	Annotated	Anodyne	
C=CCc1cccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc12	ZINC000587065029	HJ	Annotated	Mild	
O=c1cccc(-c2nc3c(Cl)cccc3[nH]2)n1CCOc1ccccc1Cl	ZINC000587065093	HJ	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1	ZINC000587065198	HJ	Annotated	Anodyne	
Cc1nn(-c2cccc(-c3nc4cncc(Br)c4[nH]3)c2)c(C)c1Cl	ZINC000587065200	HJ	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C)c(Br)cc2[nH]1	ZINC000587065244	HJ	Annotated	Anodyne	
Cc1nn(-c2cccc(-c3nc4cc(Br)ncc4[nH]3)c2)c(C)c1Cl	ZINC000587065275	HJ	Annotated	Anodyne	
Clc1ccccc1OCc1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)o1	ZINC000587065278	HJ	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1Cl	ZINC000587065425	HJ	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Br)c(F)cc2[nH]1	ZINC000587065448	HJ	Annotated	Anodyne	
Cc1nn(-c2cccc(-c3nc4c(Br)ccnc4[nH]3)c2)c(C)c1Cl	ZINC000587065490	HJ	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1Cl	ZINC000587065500	HJ	Annotated	Anodyne	
CCCCOc1cc2nc(-c3[nH]nc(OCC)c3Cl)[nH]c2cc1Br	ZINC000587065661	HJ	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Br)c(C)c(C)c2[nH]1	ZINC000587065662	HJ	Annotated	Anodyne	
Cc1nn(-c2cccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2)c(C)c1Cl	ZINC000587065727	HJ	Annotated	Bother	
COc1cc(Cl)cc(C=O)c1OCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1	ZINC000587065750	HJ	Annotated	Anodyne	
Cc1nn(-c2cccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)c(C)c1Cl	ZINC000587065754	HJ	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1Cl	ZINC000587065756	HJ	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1Cl	ZINC000587065777	HJ	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(OC(F)(F)F)cc2[nH]1	ZINC000587065778	HJ	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1	ZINC000587065781	HJ	Annotated	Mild	
COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Br)cc(F)c2[nH]1	ZINC000587065805	HJ	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	ZINC000587065816	HJ	Annotated	Clean	
Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1	ZINC000587065862	HJ	Annotated	Anodyne	
Cc1cc(Cl)ccc1OCCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587065878	HJ	Annotated	Anodyne	
Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1	ZINC000587065915	HJ	Annotated	Anodyne	
COc1cc(Cl)ccc1-c1nc2c(I)cnc(Cl)c2[nH]1	ZINC000587066064	HJ	Annotated	Anodyne	
COc1cc(Cl)ccc1-c1nc2c(Br)cnc(Br)c2[nH]1	ZINC000587066532	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)cc3OC)nc2c1	ZINC000587066555	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)cc3NC)nc2c1	ZINC000587066749	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(C#Cc3ccc(Cl)cc3C)nc2c1	ZINC000587066765	HJ	Annotated	Mild	
CNc1cc(Cl)ccc1-c1nc2c(I)cnc(Cl)c2[nH]1	ZINC000587066816	HJ	Annotated	Anodyne	
Cc1cc(Cl)ccc1OCCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	ZINC000587067152	HJ	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000587067267	HJ	Annotated	Bother	
COc1cc(Cl)cc(C=O)c1OCc1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000587067437	HJ	Annotated	Bother	
COC(=O)c1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2c1OC	ZINC000587067641	HJ	Annotated	Anodyne	
OCc1ccc(-c2cc(Cl)cc(-c3nc4nc(Br)c[nH]c-4n3)c2)cc1	ZINC000587067662	HJ	Annotated	Anodyne	
O=C1CCc2cc3nc(-c4cc(Cl)cc(-c5ccc(CO)cc5)c4)[nH]c3cc2N1	ZINC000587067688	HJ	Annotated	Anodyne	
OCc1ccc(-c2cc(Cl)cc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)cc1	ZINC000587067747	HJ	Annotated	Anodyne	
Cc1cc(Cl)ccc1O[C@H](C)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	ZINC000587067822	HJ	Annotated	Anodyne	
CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2c1	ZINC000587067870	HJ	Annotated	Anodyne	
Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(I)cnc2[nH]1	ZINC000587067897	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2n1	ZINC000587067966	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cnc2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2c1	ZINC000587067991	HJ	Annotated	Bother	
CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2c1	ZINC000587068032	HJ	Annotated	Anodyne	
Oc1nc2cc3nc(-c4cc(-c5ccco5)n(-c5cccc(Cl)c5)n4)[nH]c3cc2[nH]1	ZINC000587068188	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cncc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12	ZINC000587068192	HJ	Annotated	Bother	
Clc1cccc(-c2cc(-c3nc4c(I)cccc4[nH]3)n[nH]2)c1	ZINC000587068239	HJ	Annotated	Anodyne	
OCCc1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1	ZINC000587068360	HJ	Annotated	Anodyne	
CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1	ZINC000587068547	HJ	Annotated	Mild	
CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1	ZINC000587068550	HJ	Annotated	Mild	
CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1	ZINC000587068552	HJ	Annotated	Mild	
CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1	ZINC000587068554	HJ	Annotated	Mild	
C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	ZINC000587068580	HJ	Annotated	Anodyne	
C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	ZINC000587068582	HJ	Annotated	Anodyne	
Clc1cccc(-c2cc(-c3nc4cc(I)ccc4[nH]3)n[nH]2)c1	ZINC000587068610	HJ	Annotated	Anodyne	
NNC(=O)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1	ZINC000587069189	HJ	Annotated	Reactive	
NNC(=O)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1	ZINC000587069191	HJ	Annotated	Reactive	
Clc1cc(Cl)cc(-c2cncc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)c1	ZINC000587069458	HJ	Annotated	Anodyne	
Sc1nc(S)c2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2n1	ZINC000587069462	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)c1cccc(Cl)c1	ZINC000587070235	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)c1cccc(Cl)c1	ZINC000587070249	HJ	Annotated	Anodyne	
N=c1[nH]c2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc-2c(Cl)[nH]1	ZINC000587070261	HJ	Annotated	Anodyne	
N=c1[nH]c2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc-2c(Cl)[nH]1	ZINC000587070264	HJ	Annotated	Anodyne	
O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12	ZINC000587070331	HJ	Annotated	Bother	
CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(C(=O)NN)cc2[nH]1	ZINC000587070485	HJ	Annotated	Reactive	
CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(C(=O)NN)cc2[nH]1	ZINC000587070489	HJ	Annotated	Reactive	
CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1	ZINC000587070494	HJ	Annotated	Reactive	
CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1	ZINC000587070496	HJ	Annotated	Reactive	
NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000587071105	HJ	Annotated	Anodyne	
NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000587071111	HJ	Annotated	Anodyne	
NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000587071255	HJ	Annotated	Anodyne	
NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000587071256	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccc(Cl)c1	ZINC000587071547	HJ	Annotated	Bother	
CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccc(Cl)c1	ZINC000587071548	HJ	Annotated	Bother	
CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(CCO)cc2[nH]1)c1cccc(Cl)c1	ZINC000587071574	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(CCO)cc2[nH]1)c1cccc(Cl)c1	ZINC000587071576	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(Cl)c1	ZINC000587071687	HJ	Annotated	Bother	
CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(Cl)c1	ZINC000587071688	HJ	Annotated	Bother	
O=C1COc2cc3[nH]c(-c4cncc(-c5cc(Cl)cc(Cl)c5)c4)nc3cc2N1	ZINC000587071757	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12	ZINC000587071786	HJ	Annotated	Bother	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(CO)cc2[nH]1)c1cccc(Cl)c1	ZINC000587072420	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(CO)cc2[nH]1)c1cccc(Cl)c1	ZINC000587072421	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc(C(=O)O)c2[nH]1)c1cccc(Cl)c1	ZINC000587072461	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(C(=O)O)c2[nH]1)c1cccc(Cl)c1	ZINC000587072462	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCO3)c1cccc(Cl)c1	ZINC000587072617	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)OCO3)c1cccc(Cl)c1	ZINC000587072618	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2nc(C(=O)Cc3ccc(Cl)cc3)[nH]c2c1	ZINC000587072820	HJ	Annotated	Anodyne	
O=C(O)c1cc(Br)cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12	ZINC000587072980	HJ	Annotated	Anodyne	
Cc1c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)nnn1Cc1ccc(Cl)cc1	ZINC000587073047	HJ	Annotated	Anodyne	
O=S(=O)(c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1)C(F)(F)F	ZINC000587073054	HJ	Annotated	Anodyne	
Cc1c(-c2nc3ccc(Br)cc3[nH]2)nnn1Cc1ccc(Cl)cc1	ZINC000587073091	HJ	Annotated	Anodyne	
Cc1c(-c2nc3cccc(Br)c3[nH]2)nnn1Cc1ccc(Cl)cc1	ZINC000587073115	HJ	Annotated	Anodyne	
CCN(CC)S(=O)(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1	ZINC000587073147	HJ	Annotated	Anodyne	
Cc1c(-c2nc3ccc(Br)c(F)c3[nH]2)nnn1Cc1ccc(Cl)cc1	ZINC000587073158	HJ	Annotated	Anodyne	
Oc1nc(NCc2ccccc2)c2nc(C3(Cc4ccc(Cl)cc4)CC3)nc-2[nH]1	ZINC000587073236	HJ	Annotated	Anodyne	
FC(F)(F)c1nc(Cl)[nH]c2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)nc1-2	ZINC000587073302	HJ	Annotated	Anodyne	
FC(F)(F)c1nc(Cl)[nH]c2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc1-2	ZINC000587073304	HJ	Annotated	Anodyne	
Cc1c(-c2nc3cc(Br)cc(F)c3[nH]2)nnn1Cc1ccc(Cl)cc1	ZINC000587073332	HJ	Annotated	Anodyne	
Cc1cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2cc1Br	ZINC000587073405	HJ	Annotated	Anodyne	
Cc1c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)nnn1Cc1ccc(Cl)cc1	ZINC000587073532	HJ	Annotated	Anodyne	
Cc1c(-c2nc3cc(F)cc(Br)c3[nH]2)nnn1Cc1ccc(Cl)cc1	ZINC000587073582	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c12	ZINC000587073605	HJ	Annotated	Anodyne	
Oc1nc(NCc2ccccc2)c2nc(C3(c4ccc(Cl)cc4)CCC3)nc-2[nH]1	ZINC000587073623	HJ	Annotated	Anodyne	
Cc1c(-c2nc3cc(Br)c(F)cc3[nH]2)nnn1Cc1ccc(Cl)cc1	ZINC000587073700	HJ	Annotated	Anodyne	
Cc1c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)nnn1Cc1ccc(Cl)cc1	ZINC000587073777	HJ	Annotated	Anodyne	
N#Cc1nc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2nc1C#N	ZINC000587073816	HJ	Annotated	Mild	
N#Cc1nc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2nc1C#N	ZINC000587073819	HJ	Annotated	Mild	
Cc1cc(Br)c2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc2c1	ZINC000587074084	HJ	Annotated	Anodyne	
Cc1c(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)nnn1Cc1ccc(Cl)cc1	ZINC000587074249	HJ	Annotated	Mild	
Cc1c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)nnn1Cc1ccc(Cl)cc1	ZINC000587074345	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c12	ZINC000587074367	HJ	Annotated	Anodyne	
O=S(=O)(c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1)C(F)(F)F	ZINC000587074454	HJ	Annotated	Anodyne	
Fc1cnc(Br)c2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc12	ZINC000587074771	HJ	Annotated	Anodyne	
Fc1cnc(Br)c2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc12	ZINC000587074772	HJ	Annotated	Anodyne	
Cc1c(-c2nc3ccc(F)c(Br)c3[nH]2)nnn1Cc1ccc(Cl)cc1	ZINC000587074807	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)c1COc1ccc(Cl)cc1	ZINC000587074915	HJ	Annotated	Bother	
Cc1onc(-c2nc3nc(Br)ccc3[nH]2)c1COc1ccc(Cl)cc1	ZINC000587074918	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(-c3cn(-c4ccc(Cl)cc4)nc3C)nc2cc1Br	ZINC000587074992	HJ	Annotated	Anodyne	
Fc1cc(Br)cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12	ZINC000587074993	HJ	Annotated	Anodyne	
Clc1ccc(C2=C[C@H](c3nc4c(Br)cnc(Cl)c4[nH]3)ON2)cc1	ZINC000587075020	HJ	Annotated	Anodyne	
Clc1ccc(C2=C[C@@H](c3nc4c(Br)cnc(Cl)c4[nH]3)ON2)cc1	ZINC000587075023	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(-c3cnn(-c4ccc(Cl)cc4)c3C)nc12	ZINC000587075106	HJ	Annotated	Anodyne	
Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(F)cnc(Br)c2[nH]1	ZINC000587075117	HJ	Annotated	Anodyne	
Clc1ccc(C2=C[C@H](c3nc4c(Cl)c(Br)cnc4[nH]3)ON2)cc1	ZINC000587075125	HJ	Annotated	Anodyne	
Clc1ccc(C2=C[C@@H](c3nc4c(Cl)c(Br)cnc4[nH]3)ON2)cc1	ZINC000587075126	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3c(Br)cncc3[nH]2)c1COc1ccc(Cl)cc1	ZINC000587075276	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2cc1Br	ZINC000587075311	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)c1COc1ccc(Cl)cc1	ZINC000587075334	HJ	Annotated	Anodyne	
Clc1ccc(-c2nnc(CCc3nc4cccc(Br)c4[nH]3)o2)cc1	ZINC000587075454	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nc3C)nc2c1	ZINC000587075618	HJ	Annotated	Anodyne	
Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587075666	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3c(C#N)nc(Cl)cc3[nH]2)c1COc1ccc(Cl)cc1	ZINC000587075834	HJ	Annotated	Mild	
Cc1c(Br)cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1C	ZINC000587075846	HJ	Annotated	Anodyne	
Cc1c(-c2nc3ccc(Br)c(O)c3[nH]2)cnn1-c1ccc(Cl)cc1	ZINC000587075859	HJ	Annotated	Anodyne	
Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2ncc(Br)cc2[nH]1	ZINC000587075900	HJ	Annotated	Anodyne	
Cc1c(-c2nc3c(F)cnc(Br)c3[nH]2)cnn1-c1ccc(Cl)cc1	ZINC000587075913	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3nccc(Br)c3[nH]2)c1COc1ccc(Cl)cc1	ZINC000587075923	HJ	Annotated	Anodyne	
Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Br)nccc2[nH]1	ZINC000587075935	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3ncc(Br)cc3[nH]2)c1COc1ccc(Cl)cc1	ZINC000587076026	HJ	Annotated	Anodyne	
Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(Br)c(O)c2[nH]1	ZINC000587076073	HJ	Annotated	Anodyne	
FC(F)(F)Oc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1	ZINC000587076083	HJ	Annotated	Anodyne	
Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3	ZINC000587076130	HJ	Annotated	Anodyne	
Fc1cc(Br)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1	ZINC000587076204	HJ	Annotated	Anodyne	
Fc1c(Br)ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12	ZINC000587076205	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3c(Br)nccc3[nH]2)c1COc1ccc(Cl)cc1	ZINC000587076321	HJ	Annotated	Anodyne	
Clc1ccc(-n2cc(-c3nc4cc(Br)cc(Cl)c4[nH]3)nn2)cc1	ZINC000587076362	HJ	Annotated	Anodyne	
FC(F)(F)C(F)(F)c1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cn1	ZINC000587076439	HJ	Annotated	Anodyne	
FC(F)(F)C(F)(F)c1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cn1	ZINC000587076474	HJ	Annotated	Anodyne	
FC(F)(F)C(F)(F)c1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cn1	ZINC000587076476	HJ	Annotated	Anodyne	
Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(C)c(Br)cnc2[nH]1	ZINC000587076528	HJ	Annotated	Anodyne	
Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(F)c(-n3cccn3)cc2[nH]1	ZINC000587076559	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(-c3cnn(-c4ccc(Cl)cc4)c3C)nc2cc1Br	ZINC000587076590	HJ	Annotated	Anodyne	
Cc1c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cnn1-c1ccc(Cl)cc1	ZINC000587076634	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(-c3cnn(-c4ccc(Cl)cc4)c3C)nc2c1	ZINC000587076683	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1Cl	ZINC000587076771	HJ	Annotated	Bother	
Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2nc(Br)ccc2[nH]1	ZINC000587076795	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1COc1ccc(Cl)cc1	ZINC000587076867	HJ	Annotated	Anodyne	
Fc1c(Br)cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1F	ZINC000587076877	HJ	Annotated	Anodyne	
Clc1ccc(-n2cc(-c3nc4cc(Cl)cc(Br)c4[nH]3)nn2)cc1	ZINC000587076879	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3cnc(Br)cc3[nH]2)c1COc1ccc(Cl)cc1	ZINC000587076908	HJ	Annotated	Anodyne	
Fc1cc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2cc1Br	ZINC000587076946	HJ	Annotated	Anodyne	
Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cnc(Br)cc2[nH]1	ZINC000587077034	HJ	Annotated	Anodyne	
Nc1ccc(-c2ccc3nc([C@@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3c2)cc1N	ZINC000587077040	HJ	Annotated	Anodyne	
Nc1ccc(-c2ccc3nc([C@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3c2)cc1N	ZINC000587077044	HJ	Annotated	Anodyne	
Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2nccc(Br)c2[nH]1	ZINC000587077052	HJ	Annotated	Anodyne	
Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Br)cncc2[nH]1	ZINC000587077102	HJ	Annotated	Anodyne	
Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Br)ncc(F)c2[nH]1	ZINC000587077204	HJ	Annotated	Anodyne	
Oc1c(Br)ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12	ZINC000587077331	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc12	ZINC000587077494	HJ	Annotated	Anodyne	
O=[N+]([O-])c1c(Br)ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12	ZINC000587077525	HJ	Annotated	Bother	
O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12	ZINC000587077526	HJ	Annotated	Bother	
Fc1c(Br)cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1F	ZINC000587077536	HJ	Annotated	Anodyne	
Fc1c(Br)cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1F	ZINC000587077537	HJ	Annotated	Anodyne	
Fc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1Br	ZINC000587077555	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12	ZINC000587077583	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(Br)cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12	ZINC000587077584	HJ	Annotated	Bother	
N#Cc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1C(F)(F)F	ZINC000587077706	HJ	Annotated	Mild	
CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4nc(Cl)c[nH]c-4n3)c(Cl)cc12	ZINC000587077810	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4nc(Cl)c[nH]c-4n3)c(Cl)cc12	ZINC000587077811	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccnc(OC)c4[nH]3)c(Cl)cc12	ZINC000587077824	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccnc(OC)c4[nH]3)c(Cl)cc12	ZINC000587077827	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cncc(OC)c4[nH]3)c(Cl)cc12	ZINC000587077898	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cncc(OC)c4[nH]3)c(Cl)cc12	ZINC000587077899	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(N)c(N)cc4[nH]3)c(Cl)cc12	ZINC000587078013	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(N)c(N)cc4[nH]3)c(Cl)cc12	ZINC000587078014	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(Cl)ncnc4[nH]3)c(Cl)cc12	ZINC000587078069	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(Cl)ncnc4[nH]3)c(Cl)cc12	ZINC000587078070	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cnc(Cl)[nH]c-4n3)c(Cl)cc12	ZINC000587078083	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cnc(Cl)[nH]c-4n3)c(Cl)cc12	ZINC000587078084	HJ	Annotated	Anodyne	
COC(=O)c1cc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2cc1OC	ZINC000587078145	HJ	Annotated	Clean	
Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3nc(Br)c[nH]c-3n1)N2	ZINC000587078181	HJ	Annotated	Clean	
CN(C)CCOc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1	ZINC000587078188	HJ	Annotated	Clean	
COC(=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1OC	ZINC000587078215	HJ	Annotated	Clean	
CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(OC)ncc4[nH]3)c(Cl)cc12	ZINC000587078294	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(OC)ncc4[nH]3)c(Cl)cc12	ZINC000587078295	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(CO)cc4[nH]3)c(Cl)cc12	ZINC000587078412	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(CO)cc4[nH]3)c(Cl)cc12	ZINC000587078416	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(C(=N)N)cc4[nH]3)c(Cl)cc12	ZINC000587078438	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(C(=N)N)cc4[nH]3)c(Cl)cc12	ZINC000587078439	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(F)cnc4[nH]3)c(Cl)cc12	ZINC000587078481	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(F)cnc4[nH]3)c(Cl)cc12	ZINC000587078482	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)c1COc1ccc(Cl)cc1	ZINC000587078529	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(OC)nc4[nH]3)c(Cl)cc12	ZINC000587078616	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(OC)nc4[nH]3)c(Cl)cc12	ZINC000587078617	HJ	Annotated	Anodyne	
N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(F)c(Br)c2[nH]1	ZINC000587078946	HJ	Annotated	Anodyne	
N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(F)c(Br)c2[nH]1	ZINC000587078949	HJ	Annotated	Anodyne	
CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(I)ccc3[nH]2)n1	ZINC000587078967	HJ	Annotated	Anodyne	
CC[C@H](C)n1cc(Cl)c(-c2nc3cc(I)ccc3[nH]2)n1	ZINC000587078970	HJ	Annotated	Anodyne	
O=[N+]([O-])c1c(Br)ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12	ZINC000587079145	HJ	Annotated	Bother	
Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)N2	ZINC000587079158	HJ	Annotated	Clean	
N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)cc(F)c2[nH]1	ZINC000587079175	HJ	Annotated	Anodyne	
N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)cc(F)c2[nH]1	ZINC000587079176	HJ	Annotated	Anodyne	
Clc1ccc2ccn(Cc3nc4ccc(I)cc4[nH]3)c2c1	ZINC000587079249	HJ	Annotated	Anodyne	
CN1CCN(c2ccc3nc([C@H]4Nc5ccc(Cl)cc5[C@H]5C=CC[C@H]54)[nH]c3c2)CC1	ZINC000587079359	HJ	Annotated	Clean	
CC[C@@H](C)n1cc(Cl)c(-c2nc3c(I)cccc3[nH]2)n1	ZINC000587079548	HJ	Annotated	Anodyne	
CC[C@H](C)n1cc(Cl)c(-c2nc3c(I)cccc3[nH]2)n1	ZINC000587079549	HJ	Annotated	Anodyne	
C[C@@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)n1cc(Cl)cn1	ZINC000587079578	HJ	Annotated	Anodyne	
C[C@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)n1cc(Cl)cn1	ZINC000587079579	HJ	Annotated	Anodyne	
C[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)n1cc(Cl)cn1	ZINC000587079586	HJ	Annotated	Anodyne	
C[C@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)n1cc(Cl)cn1	ZINC000587079588	HJ	Annotated	Anodyne	
O=C(O)c1cc(Br)cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12	ZINC000587079636	HJ	Annotated	Anodyne	
N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)cc(Br)c2[nH]1	ZINC000587079708	HJ	Annotated	Anodyne	
N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)cc(Br)c2[nH]1	ZINC000587079711	HJ	Annotated	Anodyne	
CC[C@@H](C)n1cc(Cl)c(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)n1	ZINC000587079753	HJ	Annotated	Clean	
CC[C@H](C)n1cc(Cl)c(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)n1	ZINC000587079756	HJ	Annotated	Clean	
Nc1ccc(-c2ccc3nc([C@@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3c2)cc1N	ZINC000587079824	HJ	Annotated	Anodyne	
Nc1ccc(-c2ccc3nc([C@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3c2)cc1N	ZINC000587079825	HJ	Annotated	Anodyne	
N#Cc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1C(F)(F)F	ZINC000587080014	HJ	Annotated	Mild	
CCS(=O)(=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1	ZINC000587080015	HJ	Annotated	Clean	
N#Cc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1C(F)(F)F	ZINC000587080022	HJ	Annotated	Mild	
N#Cc1cc(Br)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1	ZINC000587080024	HJ	Annotated	Mild	
N#Cc1cc(Br)c2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1	ZINC000587080026	HJ	Annotated	Mild	
Cc1onc(-c2nc3cc(C(C)(C)C)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	ZINC000587080079	HJ	Annotated	Bother	
COC(=O)c1cc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c2c(F)c1Nc1ccccc1	ZINC000587080098	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc([C@H](C)n3cc(Cl)cn3)[nH]c2c(F)c1Nc1ccccc1	ZINC000587080099	HJ	Annotated	Anodyne	
C[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)n1cc(Cl)cn1	ZINC000587080310	HJ	Annotated	Anodyne	
C[C@H](c1nc2cc(Br)c(Br)cc2[nH]1)n1cc(Cl)cn1	ZINC000587080314	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1[N+](=O)[O-]	ZINC000587080339	HJ	Annotated	Clean	
Clc1ccc2ccn(Cc3nc4cccc(I)c4[nH]3)c2c1	ZINC000587080358	HJ	Annotated	Anodyne	
C[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)n1cc(Cl)cn1	ZINC000587080374	HJ	Annotated	Anodyne	
C[C@H](c1nc2c(Br)ccc(Br)c2[nH]1)n1cc(Cl)cn1	ZINC000587080377	HJ	Annotated	Anodyne	
O=C(CCCc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(Cl)cn1	ZINC000587080491	HJ	Annotated	Bother	
C[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)n1cc(Cl)cn1	ZINC000587080745	HJ	Annotated	Anodyne	
C[C@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)n1cc(Cl)cn1	ZINC000587080746	HJ	Annotated	Anodyne	
COc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2cc1OC	ZINC000587080768	HJ	Annotated	Anodyne	
N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)c(F)cc2[nH]1	ZINC000587080939	HJ	Annotated	Anodyne	
N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)c(F)cc2[nH]1	ZINC000587080940	HJ	Annotated	Anodyne	
Cc1onc(-c2nc3c(C(C)(C)C)cccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	ZINC000587081048	HJ	Annotated	Bother	
N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Br)c(F)c2[nH]1	ZINC000587081163	HJ	Annotated	Anodyne	
N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Br)c(F)c2[nH]1	ZINC000587081165	HJ	Annotated	Anodyne	
N=c1[nH]c2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)nc-2c(Cl)[nH]1	ZINC000587081263	HJ	Annotated	Anodyne	
Cc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2cc1[N+](=O)[O-]	ZINC000587081313	HJ	Annotated	Bother	
CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Br)cc(C(=O)OC)cc3[nH]2)n1	ZINC000587081370	HJ	Annotated	Anodyne	
CC[C@H](C)n1cc(Cl)c(-c2nc3c(Br)cc(C(=O)OC)cc3[nH]2)n1	ZINC000587081374	HJ	Annotated	Anodyne	
O=C1c2ccccc2C(=O)c2c1ccc1nc(Cn3ccc4ccc(Cl)cc43)[nH]c21	ZINC000587081389	HJ	Annotated	Clean	
O=[N+]([O-])c1cc(Br)cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12	ZINC000587081411	HJ	Annotated	Bother	
O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c21	ZINC000587081448	HJ	Annotated	Clean	
O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c21	ZINC000587081449	HJ	Annotated	Clean	
O=C(CCCc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc(Cl)cn1	ZINC000587081552	HJ	Annotated	Anodyne	
COc1cc(OC)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1	ZINC000587081559	HJ	Annotated	Anodyne	
O=C(CCCc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(Cl)cn1	ZINC000587081563	HJ	Annotated	Bother	
N#Cc1nc(Cl)cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12	ZINC000587081567	HJ	Annotated	Mild	
Clc1cnn2c(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc(-c3ccccc3)nc12	ZINC000587081568	HJ	Annotated	Anodyne	
O=C(CCCc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc(Cl)cn1	ZINC000587081625	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2c1	ZINC000587081698	HJ	Annotated	Anodyne	
O=S(=O)(c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1)C(F)(F)F	ZINC000587081756	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1Cl	ZINC000587081833	HJ	Annotated	Bother	
Nc1ccc(-c2ccc3nc(CCCC(=O)c4ccc(Cl)cn4)[nH]c3c2)cc1N	ZINC000587081871	HJ	Annotated	Anodyne	
O=C(CCCc1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc(Cl)cn1	ZINC000587081906	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cc1F	ZINC000587081912	HJ	Annotated	Bother	
Cc1ccc(-c2cc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c3cccc(Cl)c3n2)o1	ZINC000587081965	HJ	Annotated	Anodyne	
Clc1cnn(COc2cccc(-c3nc4ccc(Br)cc4[nH]3)c2)c1	ZINC000587082059	HJ	Annotated	Anodyne	
O=C(CCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc(Cl)cn1	ZINC000587082117	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1	ZINC000587082151	HJ	Annotated	Anodyne	
Nc1cc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2cc1N	ZINC000587082506	HJ	Annotated	Anodyne	
COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)n5cc(Cl)cn5)[nH]c4c3)o2)cc1	ZINC000587082591	HJ	Annotated	Anodyne	
COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)n5cc(Cl)cn5)[nH]c4c3)o2)cc1	ZINC000587082593	HJ	Annotated	Anodyne	
Oc1c(Br)ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12	ZINC000587082759	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2cc1Br	ZINC000587082891	HJ	Annotated	Anodyne	
N=c1[nH]c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc-2c(Cl)[nH]1	ZINC000587082897	HJ	Annotated	Anodyne	
N#Cc1nc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2nc1C#N	ZINC000587082965	HJ	Annotated	Mild	
Oc1nc(S)nc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc12	ZINC000587082993	HJ	Annotated	Anodyne	
Clc1cnn(COc2cccc(-c3nc4cccc(Br)c4[nH]3)c2)c1	ZINC000587083061	HJ	Annotated	Anodyne	
Cc1ccc(-c2cc(-c3nc4c(O)nc(S)nc4[nH]3)c3cccc(Cl)c3n2)o1	ZINC000587083130	HJ	Annotated	Anodyne	
COC(=O)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1OC	ZINC000587083205	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2cc1[N+](=O)[O-]	ZINC000587083241	HJ	Annotated	Bother	
Cc1ccc(-c2cc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c3cccc(Cl)c3n2)o1	ZINC000587083243	HJ	Annotated	Reactive	
Cc1ccc(-c2cc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)c3cccc(Cl)c3n2)o1	ZINC000587083304	HJ	Annotated	Mild	
COc1ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(Cl)n1	ZINC000587083568	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(Cl)n1	ZINC000587083694	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(Cl)n1	ZINC000587083846	HJ	Annotated	Anodyne	
Clc1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)nc1Cl	ZINC000587083901	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1	ZINC000587084230	HJ	Annotated	Anodyne	
FC(F)(F)c1nc(Cl)nc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c12	ZINC000587084436	HJ	Annotated	Anodyne	
Oc1c(Br)ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12	ZINC000587084490	HJ	Annotated	Anodyne	
Nc1ccc(Oc2ccc3nc(C4CCN(c5nccnc5Cl)CC4)[nH]c3c2)cc1	ZINC000587084597	HJ	Annotated	Clean	
CCOC(=O)c1cc(Br)c2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2c1	ZINC000587084704	HJ	Annotated	Anodyne	
N#Cc1cc(Br)c2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2c1	ZINC000587084723	HJ	Annotated	Mild	
Cc1nc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2cc1Br	ZINC000587084877	HJ	Annotated	Anodyne	
Fc1cnc(Br)c2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c12	ZINC000587084951	HJ	Annotated	Anodyne	
Cc1c(Br)cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1C	ZINC000587085069	HJ	Annotated	Anodyne	
Clc1nccnc1N1CCC(c2nc3cccc(OCc4ccccc4)c3[nH]2)CC1	ZINC000587085088	HJ	Annotated	Anodyne	
COc1cc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cn1	ZINC000587085969	HJ	Annotated	Anodyne	
COc1cc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cn1	ZINC000587085970	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2c1	ZINC000587086123	HJ	Annotated	Anodyne	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cnc(Cl)[nH]c-2n1	ZINC000587086336	HJ	Annotated	Anodyne	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cnc(Cl)[nH]c-2n1	ZINC000587086337	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(Cl)n1	ZINC000587086401	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(Cl)n1	ZINC000587086405	HJ	Annotated	Anodyne	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(N)c(N)cc2[nH]1	ZINC000587086458	HJ	Annotated	Anodyne	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(N)c(N)cc2[nH]1	ZINC000587086459	HJ	Annotated	Anodyne	
COc1nccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c12	ZINC000587086465	HJ	Annotated	Anodyne	
COc1nccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c12	ZINC000587086466	HJ	Annotated	Anodyne	
Nc1ccc(Oc2ccc3nc(C(F)(Br)Br)[nH]c3c2)cc1	ZINC000587086487	HJ	Annotated	Clean	
CC(C)(F)[C@@H](Br)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000587086727	HJ	Annotated	Reactive	
CC(C)(F)[C@H](Br)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000587086729	HJ	Annotated	Reactive	
COc1ccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2n1	ZINC000587086824	HJ	Annotated	Anodyne	
COc1ccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2n1	ZINC000587086825	HJ	Annotated	Anodyne	
FC(F)=C(C[C@H]1CCCN1)c1nc2c(Br)ccc(Br)c2[nH]1	ZINC000587087173	HJ	Annotated	Anodyne	
FC(F)=C(C[C@@H]1CCCN1)c1nc2c(Br)ccc(Br)c2[nH]1	ZINC000587087175	HJ	Annotated	Anodyne	
CCCOc1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2cc1Br	ZINC000587087266	HJ	Annotated	Anodyne	
CCCOc1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2cc1Br	ZINC000587087267	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H](Br)C(C)(C)F)nc2c1	ZINC000587087292	HJ	Annotated	Reactive	
CCOC(=O)c1cc(Br)c2[nH]c([C@H](Br)C(C)(C)F)nc2c1	ZINC000587087293	HJ	Annotated	Reactive	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2nc(Cl)c[nH]c-2n1	ZINC000587087354	HJ	Annotated	Anodyne	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2nc(Cl)c[nH]c-2n1	ZINC000587087355	HJ	Annotated	Anodyne	
Cc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2cc1Cl	ZINC000587087405	HJ	Annotated	Mild	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccnc(O)c2[nH]1	ZINC000587087442	HJ	Annotated	Anodyne	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccnc(O)c2[nH]1	ZINC000587087443	HJ	Annotated	Anodyne	
Cc1c(Cl)ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c12	ZINC000587087701	HJ	Annotated	Mild	
FC(Br)(Br)c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000587087712	HJ	Annotated	Bother	
FC(Br)(Br)c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000587087941	HJ	Annotated	Bother	
Cc1cc(Cl)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c12	ZINC000587087985	HJ	Annotated	Mild	
FC(Br)(Br)c1nc2cc(Br)cc(Cl)c2[nH]1	ZINC000587088083	HJ	Annotated	Anodyne	
CCCCCOc1cc2nc(-c3nc(Cl)cnc3N)[nH]c2cc1Br	ZINC000587088126	HJ	Annotated	Anodyne	
COc1cncc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c12	ZINC000587088214	HJ	Annotated	Anodyne	
COc1cncc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c12	ZINC000587088215	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2c1	ZINC000587088393	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc(C(C[C@@H]4CCCN4)=C(F)F)[nH]c3c2)cc1	ZINC000587088419	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc(C(C[C@H]4CCCN4)=C(F)F)[nH]c3c2)cc1	ZINC000587088420	HJ	Annotated	Anodyne	
FC(F)=C(C[C@H]1CCCN1)c1nc2cc(Br)c(Br)cc2[nH]1	ZINC000587088551	HJ	Annotated	Anodyne	
FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(Br)c(Br)cc2[nH]1	ZINC000587088553	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2cc1Br	ZINC000587088830	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2cc1Br	ZINC000587088831	HJ	Annotated	Anodyne	
CC(C)(C)c1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c12	ZINC000587088843	HJ	Annotated	Mild	
FC(Br)(Br)c1nc2cc(Cl)cc(Br)c2[nH]1	ZINC000587088851	HJ	Annotated	Anodyne	
Cc1cc2nc(C(F)(Br)Br)[nH]c2cc1Br	ZINC000587089023	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc(C(F)(Br)Br)[nH]c12	ZINC000587089041	HJ	Annotated	Anodyne	
Cc1c(Br)cc2nc(C(F)(Br)Br)[nH]c2c1C	ZINC000587089054	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(C(F)(Br)Br)nc2c1	ZINC000587089055	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2nc(C(F)(Br)Br)[nH]c12	ZINC000587089084	HJ	Annotated	Anodyne	
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc3c(c2[nH]1)CCCC3	ZINC000587089111	HJ	Annotated	Mild	
CC(C)(C)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2c1	ZINC000587089264	HJ	Annotated	Mild	
FC(F)(c1ccccn1)c1nc2cc(Br)c(Br)cc2[nH]1	ZINC000587089308	HJ	Annotated	Anodyne	
COc1ccc(-c2nnc(-c3ccc4nc(C(F)(F)c5ccccn5)[nH]c4c3)o2)cc1	ZINC000587089422	HJ	Annotated	Anodyne	
FC(F)(c1ccccn1)c1nc2c(Br)ccc(Br)c2[nH]1	ZINC000587089635	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1	ZINC000587089734	HJ	Annotated	Mild	
CCOC(=O)Cc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1	ZINC000587089865	HJ	Annotated	Mild	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc3c(cc2[nH]1)OCCCO3	ZINC000587089877	HJ	Annotated	Mild	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccnc(Br)c2[nH]1	ZINC000587089931	HJ	Annotated	Mild	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Br)nc2[nH]1	ZINC000587090017	HJ	Annotated	Mild	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Br)cnc2[nH]1	ZINC000587090051	HJ	Annotated	Mild	
FC(F)(F)c1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cn1	ZINC000587090093	HJ	Annotated	Mild	
FC(F)(F)c1cnc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1	ZINC000587090140	HJ	Annotated	Mild	
FC(F)(F)Oc1cc(Br)cc2nc(C(F)(F)c3ccccn3)[nH]c12	ZINC000587090154	HJ	Annotated	Anodyne	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Br)ccnc2[nH]1	ZINC000587090176	HJ	Annotated	Mild	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Br)ncc2[nH]1	ZINC000587090249	HJ	Annotated	Mild	
FC1(F)Oc2cc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3cc2O1	ZINC000587090252	HJ	Annotated	Mild	
FC(F)(F)Oc1cc2nc(C(F)(F)c3ccccn3)[nH]c2cc1Br	ZINC000587090294	HJ	Annotated	Anodyne	
Fc1cc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1-n1cccn1	ZINC000587090495	HJ	Annotated	Mild	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cncc(Br)c2[nH]1	ZINC000587090630	HJ	Annotated	Mild	
FC(F)(F)Oc1cc(Br)c2[nH]c(C(F)(F)c3ccccn3)nc2c1	ZINC000587090713	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(C(F)(F)c3ccccn3)[nH]c2c(F)c1Nc1ccccc1	ZINC000587090759	HJ	Annotated	Anodyne	
COc1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2cc1F	ZINC000587090861	HJ	Annotated	Mild	
N#Cc1cc(Br)c2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2c1	ZINC000587090898	HJ	Annotated	Mild	
Fc1c(Br)cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1F	ZINC000587090904	HJ	Annotated	Anodyne	
FC(F)(F)CSc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccn1	ZINC000587090922	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2cc1Br	ZINC000587090947	HJ	Annotated	Anodyne	
COc1cc(OC)c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2c1	ZINC000587091020	HJ	Annotated	Anodyne	
CCOc1ccccc1[C@](N)(c1nc2cccc(C(F)(F)F)c2[nH]1)C(F)(F)F	ZINC000587091118	HJ	Annotated	Anodyne	
CCOc1ccccc1[C@@](N)(c1nc2cccc(C(F)(F)F)c2[nH]1)C(F)(F)F	ZINC000587091120	HJ	Annotated	Anodyne	
Nc1ccc(Oc2ccc3nc(-c4ccnc(OCC(F)(F)F)c4)[nH]c3c2)cc1	ZINC000587091180	HJ	Annotated	Clean	
Fc1cnc(Cl)c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c12	ZINC000587091191	HJ	Annotated	Mild	
C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1	ZINC000587091311	HJ	Annotated	Anodyne	
C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1	ZINC000587091318	HJ	Annotated	Anodyne	
FC(F)(F)COc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)ccn1	ZINC000587091320	HJ	Annotated	Anodyne	
FC(F)(F)COc1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)ccn1	ZINC000587091342	HJ	Annotated	Anodyne	
FC(F)(F)COc1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccn1	ZINC000587091358	HJ	Annotated	Mild	
CCOc1ccccc1[C@](N)(c1nc2cc(Cl)c(F)c(F)c2[nH]1)C(F)(F)F	ZINC000587091489	HJ	Annotated	Anodyne	
CCOc1ccccc1[C@@](N)(c1nc2cc(Cl)c(F)c(F)c2[nH]1)C(F)(F)F	ZINC000587091490	HJ	Annotated	Anodyne	
Fc1cnc(Br)c2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc12	ZINC000587091559	HJ	Annotated	Anodyne	
CCOc1ccccc1[C@](N)(c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(F)(F)F	ZINC000587091567	HJ	Annotated	Mild	
CCOc1ccccc1[C@@](N)(c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(F)(F)F	ZINC000587091568	HJ	Annotated	Mild	
Cc1c(Br)cnc2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc12	ZINC000587091589	HJ	Annotated	Anodyne	
Cc1cc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2cc1[N+](=O)[O-]	ZINC000587091676	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)nn1CC(F)(F)F	ZINC000587091755	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)nn1CC(F)(F)F	ZINC000587091786	HJ	Annotated	Bother	
Cc1cnc(Cl)c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c12	ZINC000587092001	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2cc1F	ZINC000587092015	HJ	Annotated	Mild	
COC(=O)c1cc(Cl)c2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2c1	ZINC000587092114	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)nn1CC(F)(F)F	ZINC000587092121	HJ	Annotated	Bother	
FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3nc(Br)c[nH]c-3n2)c1	ZINC000587092178	HJ	Annotated	Anodyne	
COc1ccc(-c2nnc(-c3ccc4nc([C@H]5C[C@@H]5C(F)(F)F)[nH]c4c3)o2)cc1	ZINC000587092183	HJ	Annotated	Anodyne	
Cc1ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1	ZINC000587092271	HJ	Annotated	Anodyne	
N#Cc1nc(Cl)cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12	ZINC000587092585	HJ	Annotated	Mild	
CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cccc(F)c3[nH]2)CC1	ZINC000587092628	HJ	Annotated	Anodyne	
COc1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2cc1C	ZINC000587092630	HJ	Annotated	Anodyne	
Oc1c(Br)ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12	ZINC000587092643	HJ	Annotated	Anodyne	
C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1	ZINC000587092654	HJ	Annotated	Mild	
C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1	ZINC000587092655	HJ	Annotated	Mild	
Cc1c(Br)cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1C	ZINC000587092702	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(F)cc3[nH]2)CC1	ZINC000587092732	HJ	Annotated	Anodyne	
COc1cc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2cc1OC	ZINC000587092735	HJ	Annotated	Anodyne	
Cc1cccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c12	ZINC000587092832	HJ	Annotated	Anodyne	
CCOc1ccccc1[C@](N)(c1nc2cccc(OC(F)(F)F)c2[nH]1)C(F)(F)F	ZINC000587092874	HJ	Annotated	Anodyne	
CCOc1ccccc1[C@@](N)(c1nc2cccc(OC(F)(F)F)c2[nH]1)C(F)(F)F	ZINC000587092875	HJ	Annotated	Anodyne	
CCOc1ccccc1[C@](N)(c1nc2ccc3nc(C)ccc3c2[nH]1)C(F)(F)F	ZINC000587092902	HJ	Annotated	Anodyne	
CCOc1ccccc1[C@@](N)(c1nc2ccc3nc(C)ccc3c2[nH]1)C(F)(F)F	ZINC000587092905	HJ	Annotated	Anodyne	
FC(F)(F)CCc1ocnc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000587093070	HJ	Annotated	Mild	
O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)nn1CC(F)(F)F	ZINC000587093085	HJ	Annotated	Bother	
CCOc1ccccc1[C@](N)(c1nc2ccc(OC(F)(F)F)cc2[nH]1)C(F)(F)F	ZINC000587093576	HJ	Annotated	Anodyne	
CCOc1ccccc1[C@@](N)(c1nc2ccc(OC(F)(F)F)cc2[nH]1)C(F)(F)F	ZINC000587093577	HJ	Annotated	Anodyne	
CCOc1ccccc1[C@](N)(c1nc2ccc(C(F)(F)F)cc2[nH]1)C(F)(F)F	ZINC000587093654	HJ	Annotated	Anodyne	
CCOc1ccccc1[C@@](N)(c1nc2ccc(C(F)(F)F)cc2[nH]1)C(F)(F)F	ZINC000587093655	HJ	Annotated	Anodyne	
CCOc1ccccc1[C@](N)(c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(F)(F)F	ZINC000587093893	HJ	Annotated	Mild	
CCOc1ccccc1[C@@](N)(c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(F)(F)F	ZINC000587093894	HJ	Annotated	Mild	
CCCCOc1cc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2cc1Br	ZINC000587093920	HJ	Annotated	Anodyne	
CCCCOc1cc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2cc1Br	ZINC000587093921	HJ	Annotated	Anodyne	
O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1	ZINC000587093994	HJ	Annotated	Anodyne	
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1	ZINC000587094012	HJ	Annotated	Anodyne	
Cc1ccc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1C(F)(F)F	ZINC000587094501	HJ	Annotated	Anodyne	
O=C1COc2cc3[nH]c(-c4cc(C(F)(F)F)ccc4C(F)(F)F)nc3cc2N1	ZINC000587094511	HJ	Annotated	Anodyne	
FC(F)(F)c1ccc(-c2nc3nc(Br)c[nH]c-3n2)c(C(F)(F)F)c1	ZINC000587094585	HJ	Annotated	Anodyne	
O=C1COc2cc3[nH]c(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nc3cc2N1	ZINC000587094986	HJ	Annotated	Anodyne	
Cc1ccc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1C(F)(F)F	ZINC000587095257	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(C(F)(F)F)c1	ZINC000587095510	HJ	Annotated	Anodyne	
Nc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(C(F)(F)F)c1	ZINC000587095594	HJ	Annotated	Clean	
Nc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C(F)(F)F)c1	ZINC000587095630	HJ	Annotated	Bother	
COc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(C(F)(F)F)c1	ZINC000587095635	HJ	Annotated	Bother	
Cc1ccc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1C(F)(F)F	ZINC000587095757	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](c1cccnc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2	ZINC000587095767	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](c1cccnc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2	ZINC000587095768	HJ	Annotated	Anodyne	
COC(=O)COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1	ZINC000587095836	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C(F)(F)F)c1	ZINC000587095878	HJ	Annotated	Bother	
Nc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(C(F)(F)F)c1	ZINC000587095942	HJ	Annotated	Bother	
Cc1ccc2c3c(c4c(nc13)CCN(C(=O)c1ccccc1)CC4)-c1ccccc1C2=O	ZINC000587096043	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(Cn4cnc5ccccc5c4=O)nc13)-c1ccccc1C2=O	ZINC000587096046	HJ	Annotated	Anodyne	
Cc1ccc2c3c(c(CCN4C(=O)c5ccccc5C4=O)cnc13)-c1ccccc1C2=O	ZINC000587096113	HJ	Annotated	Anodyne	
COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(OC)nc1OC	ZINC000587096199	HJ	Annotated	Anodyne	
CCOC(=O)CC[C@@H](C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2	ZINC000587096292	HJ	Annotated	Anodyne	
CCOC(=O)CC[C@H](C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2	ZINC000587096294	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(Br)cc2nc(Cc3ccccc3C(F)(F)F)[nH]c12	ZINC000587096437	HJ	Annotated	Bother	
Cc1ccc2c3c(cc(CC(=O)Nc4ccc([N+](=O)[O-])cc4)nc13)-c1ccccc1C2=O	ZINC000587096457	HJ	Annotated	Bother	
Cc1ccc2c3c(cc([C@@H]4C(=O)c5ccccc5N(C)C4=O)nc13)-c1ccccc1C2=O	ZINC000587096682	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc([C@H]4C(=O)c5ccccc5N(C)C4=O)nc13)-c1ccccc1C2=O	ZINC000587096685	HJ	Annotated	Anodyne	
Cc1ccc2c3c(c4c(nc13)[C@H](n1ccc([N+](=O)[O-])n1)CCC4)-c1ccccc1C2=O	ZINC000587096913	HJ	Annotated	Bother	
Cc1ccc2c3c(c4c(nc13)[C@@H](n1ccc([N+](=O)[O-])n1)CCC4)-c1ccccc1C2=O	ZINC000587096914	HJ	Annotated	Bother	
Cc1ccc2c3c(c4c(nc13)-c1cccc3c1N(CC3)C(=O)C4)-c1ccccc1C2=O	ZINC000587097081	HJ	Annotated	Anodyne	
CCOC(=O)Cc1c(-c2ccccn2)nc2c(C)ccc3c2c1-c1ccccc1C3=O	ZINC000587097184	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(-c4cc(N5CCOCC5)ccc4N)nc13)-c1ccccc1C2=O	ZINC000587097270	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(CCN4C(=O)c5ccccc5C4=O)nc13)-c1ccccc1C2=O	ZINC000587097353	HJ	Annotated	Anodyne	
Cc1ccc2c3c(c4c(nc13)CCN(Cc1ccccc1)C(=O)C4)-c1ccccc1C2=O	ZINC000587097393	HJ	Annotated	Anodyne	
C[C@@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccccc1C(F)(F)F	ZINC000587097421	HJ	Annotated	Anodyne	
C[C@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccccc1C(F)(F)F	ZINC000587097422	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c(Cc3ccccc3C(F)(F)F)nc2c1	ZINC000587097454	HJ	Annotated	Anodyne	
COC(=O)COc1ccccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2	ZINC000587097561	HJ	Annotated	Anodyne	
Cc1ccc2c3c(c4c(nc13)C1(C4)CN(C(=O)OC(C)(C)C)C1)-c1ccccc1C2=O	ZINC000587097700	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c(-c3cccc(F)c3C(F)(F)F)nc2c1	ZINC000587097718	HJ	Annotated	Anodyne	
CCOC(=O)Cc1c(-c2cccnc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O	ZINC000587097776	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3cccc(I)c3[nH]2)c(C(F)(F)F)c1	ZINC000587097809	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(CN4C(=O)c5ccccc5C4=O)nc13)-c1ccccc1C2=O	ZINC000587097988	HJ	Annotated	Anodyne	
C[C@@H](c1nc2cc(I)cnc2[nH]1)c1ccccc1C(F)(F)F	ZINC000587098217	HJ	Annotated	Anodyne	
C[C@H](c1nc2cc(I)cnc2[nH]1)c1ccccc1C(F)(F)F	ZINC000587098220	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(-c4ccc(N5C(=O)C=CC5=O)cc4)nc13)-c1ccccc1C2=O	ZINC000587098235	HJ	Annotated	Anodyne	
CC1=C(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)[C@H](C)n2ncnc2N1C	ZINC000587098277	HJ	Annotated	Anodyne	
CC1=C(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)[C@@H](C)n2ncnc2N1C	ZINC000587098281	HJ	Annotated	Anodyne	
Cc1ccc2c3c(c4c(nc13)CN(C(=O)c1ccccc1)CC4)-c1ccccc1C2=O	ZINC000587098380	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(-c4cn(CC(N)=O)c5ccccc45)nc13)-c1ccccc1C2=O	ZINC000587098686	HJ	Annotated	Anodyne	
Cc1nn(CCC(=O)O)c(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2	ZINC000587098714	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(-c4cccc(N5C(=O)C=CC5=O)c4)nc13)-c1ccccc1C2=O	ZINC000587098754	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(-c4ccc(N5CCNC5=O)cc4)nc13)-c1ccccc1C2=O	ZINC000587098756	HJ	Annotated	Anodyne	
Fc1cccc(-c2nc3cccc(I)c3[nH]2)c1C(F)(F)F	ZINC000587098879	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(CC(=O)Nc4cccc([N+](=O)[O-])c4)nc13)-c1ccccc1C2=O	ZINC000587098988	HJ	Annotated	Bother	
Cc1ccc2c3c(cc(-c4cccc(N5CCNC5=O)c4)nc13)-c1ccccc1C2=O	ZINC000587099040	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(-c4ccc(N5CCOCC5)c(N)c4)nc13)-c1ccccc1C2=O	ZINC000587099061	HJ	Annotated	Anodyne	
O=[N+]([O-])c1c(Br)ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c12	ZINC000587099095	HJ	Annotated	Bother	
C=CC[C@@H]1C(=O)C[C@H](C(=O)OC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O	ZINC000587099309	HJ	Annotated	Mild	
C=CC[C@H]1C(=O)C[C@@H](C(=O)OC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O	ZINC000587099310	HJ	Annotated	Mild	
C=CC[C@@H]1C(=O)C[C@@H](C(=O)OC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O	ZINC000587099311	HJ	Annotated	Mild	
C=CC[C@H]1C(=O)C[C@H](C(=O)OC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O	ZINC000587099312	HJ	Annotated	Mild	
O=C1c2ccccc2-c2cc(-c3cc(Br)ncc3O)nc3cccc1c23	ZINC000587100909	HJ	Annotated	Anodyne	
Cc1ccc2c3c(c4c(nc13)-c1ccccc1S(=O)(=O)CC4)-c1ccccc1C2=O	ZINC000587101185	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(-c4ccc(CS(C)(=O)=O)cc4)nc13)-c1ccccc1C2=O	ZINC000587101471	HJ	Annotated	Anodyne	
Cc1ccc2c3c(c(CC(=O)O)c(CC(=O)c4ccccc4)nc13)-c1ccccc1C2=O	ZINC000587101502	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(-c4ccc(NS(C)(=O)=O)cc4)nc13)-c1ccccc1C2=O	ZINC000587101626	HJ	Annotated	Anodyne	
Cc1ccc2c3c(cc(-c4cccc(NS(C)(=O)=O)c4)nc13)-c1ccccc1C2=O	ZINC000587101869	HJ	Annotated	Anodyne	
COCc1nc2c(C)ccc3c2c(c1CCCC1OCCO1)-c1ccccc1C3=O	ZINC000587102346	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(Cn3cc(C(F)(F)F)ccc3=O)nc3cccc1c23	ZINC000587102534	HJ	Annotated	Anodyne	
CS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1F	ZINC000587102549	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(Cc3c([N+](=O)[O-])ccc(O)c3F)nc3cccc1c23	ZINC000587102681	HJ	Annotated	Bother	
O=C1c2ccccc2-c2cc(-c3ccc(N4CCNCC4)c(F)c3)nc3cccc1c23	ZINC000587102737	HJ	Annotated	Anodyne	
CN(C)c1ccc(NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1	ZINC000587102965	HJ	Annotated	Anodyne	
COc1ccc(NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(OC)c1	ZINC000587102988	HJ	Annotated	Anodyne	
C[C@H](NC(=O)OC(C)(C)C)c1nc2cccc3c2c(c1CC=O)-c1ccccc1C3=O	ZINC000587103081	HJ	Annotated	Mild	
O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1ccc(F)c(F)c1	ZINC000587103167	HJ	Annotated	Anodyne	
O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)NC1C2CC3CC(C2)CC1C3	ZINC000587103262	HJ	Annotated	Anodyne	
CN(C)C(=O)COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1	ZINC000587103413	HJ	Annotated	Anodyne	
Cn1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1C(F)(F)C(=O)O	ZINC000587103498	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(CC(=O)C(F)(F)Br)nc3cccc1c23	ZINC000587103501	HJ	Annotated	Anodyne	
COc1ccc(OC)c(NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1	ZINC000587103503	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCN(C(=O)c1ccccc1)CC3	ZINC000587103783	HJ	Annotated	Anodyne	
CCOC(=O)C(F)(F)[C@@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1	ZINC000587103792	HJ	Annotated	Anodyne	
CCOC(=O)C(F)(F)[C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1	ZINC000587103795	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCN(Cc1ccccc1)C(=O)C3	ZINC000587103821	HJ	Annotated	Anodyne	
COc1ccc(NN=C(C(C)=O)c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1	ZINC000587103938	HJ	Annotated	Mild	
O=NN(CC(=O)O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1	ZINC000587103968	HJ	Annotated	Anodyne	
O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1ccc(F)cc1F	ZINC000587104053	HJ	Annotated	Anodyne	
NC(=O)c1ccccc1OCCCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	ZINC000587104103	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc(NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1	ZINC000587104154	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]3c1ncc2c(Cl)nccn12	ZINC000587104206	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]3c1ncc2c(Cl)nccn12	ZINC000587104212	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CCc2nc3cccc4c3c(c2CC1)-c1ccccc1C4=O	ZINC000587104227	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(CC(O)(C(F)(F)F)C(F)(F)F)nc3cccc1c23	ZINC000587104229	HJ	Annotated	Anodyne	
O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)OCc1ccc([N+](=O)[O-])cc1	ZINC000587104231	HJ	Annotated	Bother	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cnn(-c2ccccn2)c1CC3	ZINC000587104394	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O	ZINC000587104594	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O	ZINC000587104595	HJ	Annotated	Anodyne	
CC(=O)Nc1cccc(C(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1	ZINC000587104647	HJ	Annotated	Anodyne	
CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)c1nc3cccc4c3c(c12)-c1ccccc1C4=O	ZINC000587104669	HJ	Annotated	Unstable	
O=C(O)CCC(=O)Nc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	ZINC000587104741	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3ccc(N4C(=O)C=CC4=O)cc3)nc3cccc1c23	ZINC000587104766	HJ	Annotated	Anodyne	
COc1ccccc1NC(=O)[C@H](N=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	ZINC000587104773	HJ	Annotated	Anodyne	
COc1ccccc1NC(=O)[C@@H](N=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	ZINC000587104775	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1nn(-c2ccccc2)nc1CC3	ZINC000587104834	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NCc1nc2cccc3c2c(c1CCC=O)-c1ccccc1C3=O	ZINC000587104906	HJ	Annotated	Mild	
Cc1c(-c2ccccc2OCC(=O)N(C)C)nc2cccc3c2c1-c1ccccc1C3=O	ZINC000587104907	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1	ZINC000587105019	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1	ZINC000587105021	HJ	Annotated	Anodyne	
NC(=O)Cn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2ccccc21	ZINC000587105099	HJ	Annotated	Anodyne	
CCOC(=O)Cn1c(C)cc2c1CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O	ZINC000587105117	HJ	Annotated	Anodyne	
Nc1ccc(N2CCC(O)CC2)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	ZINC000587105140	HJ	Annotated	Anodyne	
Nc1ncc2c(n1)C[C@@H](c1ccco1)c1c-2nc2cccc3c2c1-c1ccccc1C3=O	ZINC000587105217	HJ	Annotated	Anodyne	
Nc1ncc2c(n1)C[C@H](c1ccco1)c1c-2nc2cccc3c2c1-c1ccccc1C3=O	ZINC000587105218	HJ	Annotated	Anodyne	
Cc1nc2cccc3c2c(c1CCN1C(=O)c2ccccc2C1=O)-c1ccccc1C3=O	ZINC000587105238	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(CCCN3C(=O)c4ccccc4C3=O)nc3cccc1c23	ZINC000587105313	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2cc([C@@H]3C(=O)c4cccc([N+](=O)[O-])c4C3=O)nc3cccc1c23	ZINC000587105356	HJ	Annotated	Clean	
O=C1c2ccccc2-c2cc([C@H]3C(=O)c4cccc([N+](=O)[O-])c4C3=O)nc3cccc1c23	ZINC000587105357	HJ	Annotated	Clean	
Cc1[nH]c(-c2ccco2)nc(=O)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	ZINC000587105484	HJ	Annotated	Anodyne	
Nc1ccc(N2CCOCC2)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	ZINC000587105507	HJ	Annotated	Anodyne	
CCN1C(=O)[C@@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C(=O)c2ccccc21	ZINC000587105801	HJ	Annotated	Anodyne	
CCN1C(=O)[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C(=O)c2ccccc21	ZINC000587105805	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CC[C@@]2(Cc3c2nc2cccc4c2c3-c2ccccc2C4=O)C1	ZINC000587106036	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CC[C@]2(Cc3c2nc2cccc4c2c3-c2ccccc2C4=O)C1	ZINC000587106037	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@@H]2C1	ZINC000587106225	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@H]2c3nc4cccc5c4c(c3C[C@H]2C1)-c1ccccc1C5=O	ZINC000587106229	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@H]2C1	ZINC000587106232	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@H]2C1	ZINC000587106234	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@]1(C3)C(=O)Nc2ccccc21	ZINC000587106293	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@]1(C3)C(=O)Nc2ccccc21	ZINC000587106294	HJ	Annotated	Anodyne	
CCOC(=O)C[C@H](C(=O)CC)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O	ZINC000587106757	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@H](C(=O)CC)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O	ZINC000587106760	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CC2(Cc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)C1	ZINC000587106872	HJ	Annotated	Anodyne	
COc1cccc(OC(=O)Cc2nc3cccc4c3c(c2C)-c2ccccc2C4=O)c1	ZINC000587107068	HJ	Annotated	Anodyne	
CC(=O)Oc1cc(OC(C)=O)cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1	ZINC000587107098	HJ	Annotated	Anodyne	
FC(F)(F)c1ccccc1Cc1nc2ccc(I)cc2[nH]1	ZINC000587107203	HJ	Annotated	Anodyne	
Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2c1C	ZINC000587107237	HJ	Annotated	Anodyne	
Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2c1C	ZINC000587107238	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4cccc5c4c(c3[C@@H]2C1)-c1ccccc1C5=O	ZINC000587107461	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4cccc5c4c(c3[C@H]2C1)-c1ccccc1C5=O	ZINC000587107463	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@H]2C1	ZINC000587107465	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4cccc5c4c(c3[C@@H]2C1)-c1ccccc1C5=O	ZINC000587107466	HJ	Annotated	Anodyne	
O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3ccccc3C(F)(F)F)[nH]c21	ZINC000587107472	HJ	Annotated	Clean	
FC(F)(F)c1ccccc1Cc1nc2cccc(I)c2[nH]1	ZINC000587107856	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(-c3ncccc3C(F)(F)F)nc2c1	ZINC000587107947	HJ	Annotated	Anodyne	
O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587108023	HJ	Annotated	Anodyne	
O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(Br)cc(F)c2[nH]1	ZINC000587108565	HJ	Annotated	Anodyne	
O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(F)c(Br)c2[nH]1	ZINC000587108577	HJ	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(=O)O)nc2c1	ZINC000587108696	HJ	Annotated	Mild	
FC(F)(F)c1cccnc1-c1nc2c(Br)cnc(Br)c2[nH]1	ZINC000587108717	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cccc(Br)c2[nH]1	ZINC000587108851	HJ	Annotated	Bother	
O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(Br)cc(F)c2[nH]1	ZINC000587108873	HJ	Annotated	Anodyne	
O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc(F)c(Br)c2[nH]1	ZINC000587108880	HJ	Annotated	Anodyne	
O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(F)cc(Br)c2[nH]1	ZINC000587108881	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c1	ZINC000587108928	HJ	Annotated	Bother	
Fc1cc(C(F)(F)F)ccc1-c1nc2cccc(I)c2[nH]1	ZINC000587108936	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(OC(F)(F)F)cc2[nH]1	ZINC000587108962	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(F)cc(Br)c2[nH]1	ZINC000587108969	HJ	Annotated	Bother	
Nc1ccc(-c2ccc3nc(-c4cc(C(F)(F)F)ccc4C(=O)O)[nH]c3c2)cc1N	ZINC000587108970	HJ	Annotated	Anodyne	
O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(Br)c(F)c2[nH]1	ZINC000587108995	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc2c1	ZINC000587109027	HJ	Annotated	Anodyne	
O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587109079	HJ	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(=O)O)nc2c1	ZINC000587109095	HJ	Annotated	Mild	
O=C1COc2cc3[nH]c(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)nc3cc2N1	ZINC000587109143	HJ	Annotated	Anodyne	
FC(F)(F)c1cc(Cc2nc3cc4c(cc3[nH]2)OCCO4)cc(C(F)(F)F)c1	ZINC000587109283	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(F)c(Br)c2[nH]1	ZINC000587109296	HJ	Annotated	Bother	
O=[N+]([O-])c1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1Cl	ZINC000587109305	HJ	Annotated	Bother	
O=C(O)c1cc(Br)cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c12	ZINC000587109335	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Br)cc(F)c2[nH]1	ZINC000587109399	HJ	Annotated	Bother	
Cc1c(Br)cnc2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc12	ZINC000587109473	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(Br)cc2[nH]1	ZINC000587109477	HJ	Annotated	Bother	
FC(F)(F)c1cc(Cc2nc3c(S)nc(S)nc3[nH]2)cc(C(F)(F)F)c1	ZINC000587109596	HJ	Annotated	Anodyne	
N[C@@H](N=O)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1	ZINC000587109613	HJ	Annotated	Anodyne	
N[C@H](N=O)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1	ZINC000587109614	HJ	Annotated	Anodyne	
O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(Br)c(F)cc2[nH]1	ZINC000587109654	HJ	Annotated	Anodyne	
O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(F)cc(Br)c2[nH]1	ZINC000587109660	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cccc(OC(F)(F)F)c2[nH]1	ZINC000587109732	HJ	Annotated	Bother	
Nc1ccc(-c2ccc3nc(-c4ccc(C(F)(F)F)cc4C(=O)O)[nH]c3c2)cc1N	ZINC000587109773	HJ	Annotated	Anodyne	
O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000587109778	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Br)c(F)cc2[nH]1	ZINC000587109877	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(Br)c(O)c2[nH]1	ZINC000587110052	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(Br)c(F)c2[nH]1	ZINC000587110101	HJ	Annotated	Bother	
FC(F)(F)c1cc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(C(F)(F)F)c1	ZINC000587110112	HJ	Annotated	Mild	
Fc1cc(C(F)(F)F)ccc1-c1nc2ccc(I)cc2[nH]1	ZINC000587110133	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1	ZINC000587110151	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2cc1Br	ZINC000587110198	HJ	Annotated	Bother	
N#Cc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1C(F)(F)F	ZINC000587110210	HJ	Annotated	Mild	
Oc1nc2cc3nc(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3cc2[nH]1	ZINC000587110327	HJ	Annotated	Anodyne	
COC(=O)c1cccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12	ZINC000587110459	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cn1	ZINC000587110587	HJ	Annotated	Anodyne	
FC(F)(F)c1cc(CCc2nc3c(S)nc(S)nc3[nH]2)cc(C(F)(F)F)c1	ZINC000587110588	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2n1	ZINC000587110630	HJ	Annotated	Anodyne	
OCCc1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1	ZINC000587110769	HJ	Annotated	Anodyne	
Oc1nc2cc3nc(CCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3cc2[nH]1	ZINC000587110787	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cnc2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1	ZINC000587110999	HJ	Annotated	Bother	
CN(C)CCOc1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1	ZINC000587111275	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1[N+](=O)[O-]	ZINC000587111278	HJ	Annotated	Bother	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(Br)c2[nH]1	ZINC000587111669	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cncc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12	ZINC000587111889	HJ	Annotated	Bother	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(F)c2[nH]1	ZINC000587111893	HJ	Annotated	Anodyne	
CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1	ZINC000587111997	HJ	Annotated	Anodyne	
CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1	ZINC000587112000	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1OC	ZINC000587112010	HJ	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2cc1OC	ZINC000587112040	HJ	Annotated	Anodyne	
CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1	ZINC000587112051	HJ	Annotated	Anodyne	
CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1	ZINC000587112053	HJ	Annotated	Anodyne	
CC(C)(C)c1cccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12	ZINC000587112143	HJ	Annotated	Anodyne	
CC1=C(c2ccc3nc([C@H](C)Cc4cccc(C(F)(F)F)c4)[nH]c3c2)NNC(=O)C1	ZINC000587112222	HJ	Annotated	Anodyne	
CC1=C(c2ccc3nc([C@@H](C)Cc4cccc(C(F)(F)F)c4)[nH]c3c2)NNC(=O)C1	ZINC000587112224	HJ	Annotated	Anodyne	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587112231	HJ	Annotated	Anodyne	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000587112334	HJ	Annotated	Mild	
CC1=C(c2ccc3nc(-c4cnc5ccc(C(F)(F)F)cc5c4)[nH]c3c2)NNC(=O)C1	ZINC000587112349	HJ	Annotated	Anodyne	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000587112350	HJ	Annotated	Anodyne	
Cn1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(C(F)(F)F)c1	ZINC000587112356	HJ	Annotated	Anodyne	
CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1	ZINC000587112416	HJ	Annotated	Anodyne	
CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1	ZINC000587112420	HJ	Annotated	Anodyne	
CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc3nc(C)ccc3c2[nH]1	ZINC000587112476	HJ	Annotated	Anodyne	
CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc3nc(C)ccc3c2[nH]1	ZINC000587112478	HJ	Annotated	Anodyne	
O=C(CSCc1nc2cc(F)c(F)c(F)c2[nH]1)Nc1ccc(C(F)(F)F)cc1	ZINC000587112543	HJ	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12	ZINC000587112796	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1	ZINC000587112825	HJ	Annotated	Anodyne	
CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1	ZINC000587112943	HJ	Annotated	Mild	
CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1	ZINC000587112944	HJ	Annotated	Mild	
N#Cc1nc2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc-2[nH]c1C#N	ZINC000587113048	HJ	Annotated	Mild	
Oc1nc(S)nc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc12	ZINC000587113059	HJ	Annotated	Anodyne	
FC(F)(F)c1ccc2ncc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc2c1	ZINC000587113239	HJ	Annotated	Anodyne	
O=C(CSCc1nc2cncc(Cl)c2[nH]1)Nc1ccc(C(F)(F)F)cc1	ZINC000587113283	HJ	Annotated	Anodyne	
FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(Cl)cc(Cl)c4[nH]3)n2)cc1	ZINC000587113391	HJ	Annotated	Anodyne	
O=C(CSCc1nc2c(F)cnc(Cl)c2[nH]1)Nc1ccc(C(F)(F)F)cc1	ZINC000587113427	HJ	Annotated	Anodyne	
Cc1cnc(Cl)c2[nH]c(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)nc12	ZINC000587113460	HJ	Annotated	Anodyne	
COc1cc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1Cl	ZINC000587113576	HJ	Annotated	Anodyne	
COc1cc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1Cl	ZINC000587113578	HJ	Annotated	Anodyne	
CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(C)(C)C)nc2[nH]1	ZINC000587113634	HJ	Annotated	Anodyne	
CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(C)(C)C)nc2[nH]1	ZINC000587113635	HJ	Annotated	Anodyne	
CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]1)CCCC3	ZINC000587113658	HJ	Annotated	Anodyne	
CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]1)CCCC3	ZINC000587113659	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(-c3cn(C)cc3C(F)(F)F)nc2c1	ZINC000587113684	HJ	Annotated	Anodyne	
O=C(CSCc1nc2cc(F)cc(F)c2[nH]1)Nc1ccc(C(F)(F)F)cc1	ZINC000587113781	HJ	Annotated	Anodyne	
O=C(CSCc1nc2c(Cl)ccnc2[nH]1)Nc1ccc(C(F)(F)F)cc1	ZINC000587113783	HJ	Annotated	Anodyne	
FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)cc1	ZINC000587113893	HJ	Annotated	Anodyne	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000587113940	HJ	Annotated	Anodyne	
FC(F)(F)c1cccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1	ZINC000587114127	HJ	Annotated	Anodyne	
CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1	ZINC000587114128	HJ	Annotated	Anodyne	
CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1	ZINC000587114130	HJ	Annotated	Anodyne	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c(F)c2[nH]1	ZINC000587114222	HJ	Annotated	Anodyne	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(F)c(Br)c2[nH]1	ZINC000587114280	HJ	Annotated	Anodyne	
Nc1ccc(-c2ccc3nc([C@@H](N)Cc4cccc(C(F)(F)F)c4)[nH]c3c2)cc1N	ZINC000587114320	HJ	Annotated	Anodyne	
CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C#N)cc(Cl)c2[nH]1	ZINC000587114354	HJ	Annotated	Mild	
CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C#N)cc(Cl)c2[nH]1	ZINC000587114356	HJ	Annotated	Mild	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000587114369	HJ	Annotated	Bother	
CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C#N)cc4[nH]3)nc2n1	ZINC000587114445	HJ	Annotated	Mild	
FC(F)(F)c1cc(-c2nc3c(Br)ccnc3[nH]2)c(Br)cn1	ZINC000587114462	HJ	Annotated	Anodyne	
CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(C#N)c4[nH]3)nc2n1	ZINC000587114478	HJ	Annotated	Mild	
CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(C)ccnc4[nH]3)nc2n1	ZINC000587114519	HJ	Annotated	Anodyne	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000587114574	HJ	Annotated	Bother	
O=C(CSCc1nc2ccc(F)c(F)c2[nH]1)Nc1ccc(C(F)(F)F)cc1	ZINC000587114671	HJ	Annotated	Anodyne	
O=C(CSCc1nc2ccc(Cl)nc2[nH]1)Nc1ccc(C(F)(F)F)cc1	ZINC000587114711	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1Cl	ZINC000587114726	HJ	Annotated	Bother	
O=C(CSCc1nc2ccnc(Cl)c2[nH]1)Nc1ccc(C(F)(F)F)cc1	ZINC000587114730	HJ	Annotated	Anodyne	
FC(F)(F)c1cc(-c2nc3cncc(Br)c3[nH]2)c(Br)cn1	ZINC000587114740	HJ	Annotated	Anodyne	
CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C)nc4[nH]3)nc2n1	ZINC000587114782	HJ	Annotated	Anodyne	
CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(C)nccc4[nH]3)nc2n1	ZINC000587114812	HJ	Annotated	Anodyne	
C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1	ZINC000587114919	HJ	Annotated	Anodyne	
C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1	ZINC000587114920	HJ	Annotated	Anodyne	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(F)cc2[nH]1	ZINC000587114930	HJ	Annotated	Anodyne	
CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(O)cc4[nH]3)nc2n1	ZINC000587115054	HJ	Annotated	Anodyne	
CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C)cnc4[nH]3)nc2n1	ZINC000587115056	HJ	Annotated	Anodyne	
FC(F)(F)c1cc(-c2nc3ccnc(Br)c3[nH]2)c(Br)cn1	ZINC000587115077	HJ	Annotated	Anodyne	
CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cncc(C)c4[nH]3)nc2n1	ZINC000587115105	HJ	Annotated	Anodyne	
FC(F)(F)c1cc(-c2nc3ccc(Br)nc3[nH]2)c(Br)cn1	ZINC000587115114	HJ	Annotated	Anodyne	
FC(F)(F)c1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(Br)cn1	ZINC000587115117	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(-c3cncc(C(F)(F)F)c3)nc2c1	ZINC000587115218	HJ	Annotated	Anodyne	
FC(F)(F)c1cc(-c2nc3cc(Br)cnc3[nH]2)c(Br)cn1	ZINC000587115252	HJ	Annotated	Anodyne	
FC(F)(F)c1cc(-c2nc3cc(Br)ncc3[nH]2)c(Br)cn1	ZINC000587115287	HJ	Annotated	Anodyne	
CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(F)cnc4[nH]3)nc2n1	ZINC000587115371	HJ	Annotated	Anodyne	
Fc1c(F)c(F)c2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1F	ZINC000587115458	HJ	Annotated	Mild	
FC1(F)Oc2cc3nc(-c4cc(C(F)(F)F)ncc4Br)[nH]c3cc2O1	ZINC000587115460	HJ	Annotated	Anodyne	
N#Cc1cc(Cl)c2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1	ZINC000587115469	HJ	Annotated	Mild	
CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(CO)cc4[nH]3)nc2n1	ZINC000587115519	HJ	Annotated	Anodyne	
CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(O)c4[nH]3)nc2n1	ZINC000587115539	HJ	Annotated	Anodyne	
FC(F)(F)c1cnc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1	ZINC000587115557	HJ	Annotated	Anodyne	
FC(F)(F)c1cncc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1	ZINC000587115595	HJ	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c1	ZINC000587115812	HJ	Annotated	Mild	
Oc1c(Br)ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12	ZINC000587115819	HJ	Annotated	Anodyne	
FC(F)(F)c1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(Br)cn1	ZINC000587115829	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c1	ZINC000587116030	HJ	Annotated	Anodyne	
FC(F)(F)c1nc2ccncc2cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587116064	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc12	ZINC000587116116	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2cc1Br	ZINC000587116118	HJ	Annotated	Anodyne	
Fc1cnc(Cl)c2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc12	ZINC000587116304	HJ	Annotated	Anodyne	
FC(F)(F)c1cnc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1	ZINC000587116333	HJ	Annotated	Anodyne	
COc1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1F	ZINC000587116334	HJ	Annotated	Anodyne	
Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000587116360	HJ	Annotated	Mild	
Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000587116366	HJ	Annotated	Anodyne	
Cc1cc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2cc1[N+](=O)[O-]	ZINC000587116470	HJ	Annotated	Bother	
FC(F)(F)c1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cn1	ZINC000587116544	HJ	Annotated	Anodyne	
Fc1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c(F)c1F	ZINC000587116548	HJ	Annotated	Anodyne	
Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000587116588	HJ	Annotated	Bother	
Cn1nc(C(F)(F)F)cc1-c1nc2cc(Br)c(Br)cc2[nH]1	ZINC000587116699	HJ	Annotated	Anodyne	
Fc1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1Br	ZINC000587116810	HJ	Annotated	Anodyne	
Fc1cc(Br)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1	ZINC000587116864	HJ	Annotated	Anodyne	
FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)n1	ZINC000587117062	HJ	Annotated	Bother	
Cn1nc(C(F)(F)F)cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1	ZINC000587117115	HJ	Annotated	Anodyne	
Cc1ccc2c(ccc3nc(CCn4cc(Br)c(C(F)(F)F)n4)[nH]c32)n1	ZINC000587117154	HJ	Annotated	Anodyne	
Fc1c(Br)cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1F	ZINC000587117215	HJ	Annotated	Anodyne	
FC(F)(F)c1ccn(Cc2cc(-c3nc4c(C(F)(F)F)cccc4[nH]3)no2)n1	ZINC000587117217	HJ	Annotated	Anodyne	
Cn1nc(C(F)(F)F)cc1-c1nc2c(Br)ccc(Br)c2[nH]1	ZINC000587117270	HJ	Annotated	Anodyne	
Fc1cc(C(F)(F)F)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1	ZINC000587117280	HJ	Annotated	Mild	
Fc1cc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2cc1Cl	ZINC000587117295	HJ	Annotated	Anodyne	
Cc1cc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2cc1[N+](=O)[O-]	ZINC000587117388	HJ	Annotated	Bother	
COc1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1OC	ZINC000587117391	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1F	ZINC000587117463	HJ	Annotated	Bother	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(F)cccc4[nH]3)cc2)nc1C(F)(F)F	ZINC000587117510	HJ	Annotated	Bother	
CCCOc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1Br	ZINC000587117608	HJ	Annotated	Anodyne	
FC(F)(F)c1cc(C2CC2)n(Cc2nc3c(Br)cnc(Cl)c3[nH]2)n1	ZINC000587117670	HJ	Annotated	Anodyne	
Fc1cc(Br)cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12	ZINC000587117730	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12	ZINC000587117774	HJ	Annotated	Anodyne	
Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000587117791	HJ	Annotated	Bother	
FC(F)(F)c1ccn(Cc2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)no2)n1	ZINC000587117808	HJ	Annotated	Anodyne	
FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Cl)cc(Cl)cc4[nH]3)no2)n1	ZINC000587117916	HJ	Annotated	Anodyne	
Fc1cc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2cc1C(F)(F)F	ZINC000587117939	HJ	Annotated	Mild	
COc1cc(OC)c2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1	ZINC000587117978	HJ	Annotated	Anodyne	
Cc1cnc(Cl)c2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc12	ZINC000587117980	HJ	Annotated	Anodyne	
CC(C)Oc1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1	ZINC000587117986	HJ	Annotated	Anodyne	
Cn1nc(C(F)(F)F)cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1	ZINC000587118073	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(F)cc(F)cc4[nH]3)cc2)nc1C(F)(F)F	ZINC000587118089	HJ	Annotated	Bother	
Cc1c(F)ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12	ZINC000587118121	HJ	Annotated	Bother	
Nc1ccc(-c2ccc3nc(Cn4nc(C(F)(F)F)cc4C4CC4)[nH]c3c2)cc1N	ZINC000587118275	HJ	Annotated	Anodyne	
FC(F)(F)c1nn(CCc2nc3ccc4c(c3[nH]2)CCCC4)cc1Br	ZINC000587118335	HJ	Annotated	Anodyne	
Cc1cc(F)c2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2c1	ZINC000587118351	HJ	Annotated	Bother	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(Oc3ccccc3)cc2[nH]1	ZINC000587118527	HJ	Annotated	Bother	
Cc1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cc1F	ZINC000587118554	HJ	Annotated	Bother	
FC(F)(F)c1nn(CCc2nc3cc4ccccc4cc3[nH]2)cc1Br	ZINC000587118561	HJ	Annotated	Anodyne	
Cn1nc(C(F)(F)F)cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1	ZINC000587118586	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2cc1Br	ZINC000587118685	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(F)c(F)ccc4[nH]3)cc2)nc1C(F)(F)F	ZINC000587118842	HJ	Annotated	Bother	
FC(F)(F)c1cc(C2CC2)n(Cc2nc3c(Cl)c(Br)cnc3[nH]2)n1	ZINC000587118885	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1Br	ZINC000587118908	HJ	Annotated	Anodyne	
Cc1c(Cl)ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12	ZINC000587118974	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2cc1Br	ZINC000587119028	HJ	Annotated	Anodyne	
CCCOc1cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2cc1Br	ZINC000587119079	HJ	Annotated	Anodyne	
CCCCOc1cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2cc1Br	ZINC000587119103	HJ	Annotated	Anodyne	
Cn1nc(C(F)(F)F)cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1	ZINC000587119128	HJ	Annotated	Anodyne	
Fc1cc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2cc1C(F)(F)F	ZINC000587119208	HJ	Annotated	Mild	
O=C(c1ccccc1)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1	ZINC000587119319	HJ	Annotated	Anodyne	
Fc1cc2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2cc1Br	ZINC000587119328	HJ	Annotated	Anodyne	
N#Cc1cccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12	ZINC000587119379	HJ	Annotated	Mild	
FC(F)(F)c1cc(C2CC2)n(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)n1	ZINC000587119390	HJ	Annotated	Bother	
FC(F)(F)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1	ZINC000587119400	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12	ZINC000587119415	HJ	Annotated	Anodyne	
Fc1cc(Cl)cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12	ZINC000587119429	HJ	Annotated	Anodyne	
Cc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1Br	ZINC000587119480	HJ	Annotated	Anodyne	
FC(F)(F)c1nn(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c2c1CCCC2	ZINC000587119509	HJ	Annotated	Bother	
CSc1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1	ZINC000587119565	HJ	Annotated	Anodyne	
FC(F)(F)c1nn(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c2c1CCCC2	ZINC000587119579	HJ	Annotated	Bother	
Cc1cc(Br)cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12	ZINC000587119581	HJ	Annotated	Anodyne	
Cc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1Cl	ZINC000587119596	HJ	Annotated	Anodyne	
FC(F)(F)Oc1cccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12	ZINC000587119816	HJ	Annotated	Anodyne	
N#Cc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1C(F)(F)F	ZINC000587119864	HJ	Annotated	Mild	
COc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1	ZINC000587119875	HJ	Annotated	Anodyne	
Fc1c(Br)ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12	ZINC000587119955	HJ	Annotated	Anodyne	
Fc1cc(Br)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1	ZINC000587119996	HJ	Annotated	Anodyne	
FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc5c(cc4[nH]3)OCO5)n2n1	ZINC000587120006	HJ	Annotated	Anodyne	
Fc1cc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2cc1Br	ZINC000587120008	HJ	Annotated	Anodyne	
N#Cc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1	ZINC000587120009	HJ	Annotated	Mild	
Cc1cc(Br)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1	ZINC000587120030	HJ	Annotated	Anodyne	
Cc1cc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c(C)n1	ZINC000587120031	HJ	Annotated	Anodyne	
Fc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1Br	ZINC000587120040	HJ	Annotated	Anodyne	
O=C(c1ccccc1)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1	ZINC000587120043	HJ	Annotated	Anodyne	
COc1cccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12	ZINC000587120127	HJ	Annotated	Anodyne	
Fc1c(Br)ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12	ZINC000587120148	HJ	Annotated	Anodyne	
Fc1cc(Br)cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12	ZINC000587120164	HJ	Annotated	Mild	
Fc1cc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2cc1Br	ZINC000587120212	HJ	Annotated	Mild	
O=[N+]([O-])c1cccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12	ZINC000587120246	HJ	Annotated	Bother	
Fc1cc(Br)cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12	ZINC000587120292	HJ	Annotated	Anodyne	
Fc1cc(C(F)(F)F)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1	ZINC000587120323	HJ	Annotated	Mild	
FC(F)(F)Oc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1	ZINC000587120353	HJ	Annotated	Anodyne	
Fc1c(Br)ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12	ZINC000587120371	HJ	Annotated	Mild	
Fc1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1Br	ZINC000587120384	HJ	Annotated	Mild	
N#Cc1cc(Br)c2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2c1	ZINC000587120428	HJ	Annotated	Mild	
FC(F)(F)Oc1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1	ZINC000587120442	HJ	Annotated	Mild	
FC(F)(F)c1nc2ccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cc2[nH]1	ZINC000587120449	HJ	Annotated	Anodyne	
Fc1cc(Br)c2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2c1	ZINC000587120463	HJ	Annotated	Mild	
N#Cc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1C(F)(F)F	ZINC000587120465	HJ	Annotated	Mild	
N#Cc1cc(Br)c2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc2c1	ZINC000587120476	HJ	Annotated	Mild	
Nc1ccc(-c2ccc3nc(-c4ccc5nc(C(F)(F)F)[nH]c5c4)[nH]c3c2)cc1N	ZINC000587120497	HJ	Annotated	Anodyne	
FC(F)(F)Oc1cccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12	ZINC000587120663	HJ	Annotated	Mild	
FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc5[nH]ncc5cc4[nH]3)n2n1	ZINC000587120804	HJ	Annotated	Anodyne	
FC(F)(F)c1nc2ccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)cc2[nH]1	ZINC000587120843	HJ	Annotated	Anodyne	
N#Cc1cc(Br)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c1	ZINC000587121375	HJ	Annotated	Mild	
Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(N)c(N)cc2[nH]1	ZINC000587121380	HJ	Annotated	Anodyne	
Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2nc(Cl)c[nH]c-2n1	ZINC000587121389	HJ	Annotated	Anodyne	
COc1cncc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c12	ZINC000587121395	HJ	Annotated	Anodyne	
Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1	ZINC000587121422	HJ	Annotated	Anodyne	
Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1	ZINC000587121459	HJ	Annotated	Anodyne	
Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1	ZINC000587121460	HJ	Annotated	Anodyne	
FC(F)(F)Oc1cccc(CSCc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1	ZINC000587121508	HJ	Annotated	Anodyne	
O=C1CCc2cc3nc(CSCc4cccc(OC(F)(F)F)c4)[nH]c3cc2N1	ZINC000587121554	HJ	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1	ZINC000587121595	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2c1	ZINC000587121611	HJ	Annotated	Anodyne	
Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1	ZINC000587121629	HJ	Annotated	Anodyne	
Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1	ZINC000587121665	HJ	Annotated	Anodyne	
Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1	ZINC000587121778	HJ	Annotated	Bother	
COC(=O)c1cccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c12	ZINC000587121823	HJ	Annotated	Anodyne	
Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cncc([N+](=O)[O-])c2[nH]1	ZINC000587121836	HJ	Annotated	Bother	
Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cnc(Cl)[nH]c-2n1	ZINC000587121855	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1F	ZINC000587122016	HJ	Annotated	Bother	
Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3	ZINC000587122086	HJ	Annotated	Anodyne	
COc1ccc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2n1	ZINC000587122099	HJ	Annotated	Anodyne	
COc1nccc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c12	ZINC000587122191	HJ	Annotated	Anodyne	
Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc3c(cc2[nH]1)OCCO3	ZINC000587122230	HJ	Annotated	Anodyne	
O=S(=O)(O)c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1	ZINC000587122321	HJ	Annotated	Anodyne	
O=S(=O)(O)c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1	ZINC000587122326	HJ	Annotated	Anodyne	
O=C(O)c1cc(F)cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12	ZINC000587122440	HJ	Annotated	Anodyne	
Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Cl)nc(C#N)c2[nH]1	ZINC000587122563	HJ	Annotated	Mild	
Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1	ZINC000587122592	HJ	Annotated	Anodyne	
COc1cc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2cn1	ZINC000587122830	HJ	Annotated	Anodyne	
C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(F)cc(Br)c4[nH]3)cc2N1	ZINC000587123156	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(F)cc(Br)c4[nH]3)cc2N1	ZINC000587123158	HJ	Annotated	Anodyne	
C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)cc(Br)c4[nH]3)cc2N1	ZINC000587123160	HJ	Annotated	Anodyne	
C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)cc(Br)c4[nH]3)cc2N1	ZINC000587123163	HJ	Annotated	Anodyne	
FC(F)(F)Sc1ccc(/C=C\c2nc3nc(Br)c[nH]c-3n2)cc1	ZINC000587123547	HJ	Annotated	Anodyne	
FC(F)(F)Sc1ccc(/C=C/c2nc3nc(Br)c[nH]c-3n2)cc1	ZINC000587123548	HJ	Annotated	Anodyne	
CCCOc1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2cc1Br	ZINC000587123974	HJ	Annotated	Anodyne	
CC(C)Oc1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2cc1Br	ZINC000587123985	HJ	Annotated	Anodyne	
C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)c(F)cc4[nH]3)cc2N1	ZINC000587124170	HJ	Annotated	Anodyne	
C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)c(F)cc4[nH]3)cc2N1	ZINC000587124172	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)c(F)cc4[nH]3)cc2N1	ZINC000587124173	HJ	Annotated	Anodyne	
C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)c(F)cc4[nH]3)cc2N1	ZINC000587124174	HJ	Annotated	Anodyne	
C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c(F)c4[nH]3)cc2N1	ZINC000587124226	HJ	Annotated	Anodyne	
C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c(F)c4[nH]3)cc2N1	ZINC000587124227	HJ	Annotated	Anodyne	
O=C(O)c1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1F	ZINC000587124429	HJ	Annotated	Anodyne	
OC1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CCC(C(F)(F)F)CC1	ZINC000587124513	HJ	Annotated	Mild	
C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c(F)c4[nH]3)cc2N1	ZINC000587124531	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c(F)c4[nH]3)cc2N1	ZINC000587124534	HJ	Annotated	Anodyne	
FC(F)(F)OCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1	ZINC000587124595	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2N1	ZINC000587124676	HJ	Annotated	Bother	
C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2N1	ZINC000587124691	HJ	Annotated	Bother	
C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2N1	ZINC000587124694	HJ	Annotated	Bother	
C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2N1	ZINC000587124695	HJ	Annotated	Bother	
Cc1cc(Br)cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12	ZINC000587124877	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12	ZINC000587124881	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c12	ZINC000587124884	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c12	ZINC000587124886	HJ	Annotated	Anodyne	
Cc1ccc2c(ccc3[nH]c(-c4ccc(NS(=O)(=O)C(F)(F)F)c(C)c4)nc32)n1	ZINC000587125249	HJ	Annotated	Anodyne	
C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(F)c(Br)c4[nH]3)cc2N1	ZINC000587125324	HJ	Annotated	Anodyne	
C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(F)c(Br)c4[nH]3)cc2N1	ZINC000587125326	HJ	Annotated	Anodyne	
C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(F)c(Br)c4[nH]3)cc2N1	ZINC000587125328	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(F)c(Br)c4[nH]3)cc2N1	ZINC000587125331	HJ	Annotated	Anodyne	
C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cc2N1	ZINC000587125500	HJ	Annotated	Mild	
C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cc2N1	ZINC000587125502	HJ	Annotated	Mild	
C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cc2N1	ZINC000587125503	HJ	Annotated	Mild	
C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cc2N1	ZINC000587125505	HJ	Annotated	Mild	
Cc1cc(-c2nc3c(F)cc(Cl)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F	ZINC000587125850	HJ	Annotated	Anodyne	
Cc1cc(-c2nc3c4c(ccc3[nH]2)CCCC4)ccc1NS(=O)(=O)C(F)(F)F	ZINC000587125871	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)cc2N1	ZINC000587126046	HJ	Annotated	Anodyne	
C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)cc2N1	ZINC000587126047	HJ	Annotated	Anodyne	
C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)cc2N1	ZINC000587126049	HJ	Annotated	Anodyne	
C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)cc2N1	ZINC000587126050	HJ	Annotated	Anodyne	
C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(F)c4[nH]3)cc2N1	ZINC000587126157	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(F)c4[nH]3)cc2N1	ZINC000587126158	HJ	Annotated	Anodyne	
C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(F)c4[nH]3)cc2N1	ZINC000587126159	HJ	Annotated	Anodyne	
C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(F)c4[nH]3)cc2N1	ZINC000587126160	HJ	Annotated	Anodyne	
Fc1cc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2cc1Br	ZINC000587126431	HJ	Annotated	Anodyne	
C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2N1	ZINC000587126445	HJ	Annotated	Bother	
C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2N1	ZINC000587126448	HJ	Annotated	Bother	
C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2N1	ZINC000587126450	HJ	Annotated	Bother	
C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2N1	ZINC000587126451	HJ	Annotated	Bother	
Fc1c(Br)ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12	ZINC000587126518	HJ	Annotated	Anodyne	
C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)cc2N1	ZINC000587126840	HJ	Annotated	Mild	
C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)cc2N1	ZINC000587126841	HJ	Annotated	Mild	
C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)cc2N1	ZINC000587126842	HJ	Annotated	Mild	
C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)cc2N1	ZINC000587126843	HJ	Annotated	Mild	
C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)cc2N1	ZINC000587126849	HJ	Annotated	Mild	
C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)cc2N1	ZINC000587126850	HJ	Annotated	Mild	
C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)cc2N1	ZINC000587126851	HJ	Annotated	Mild	
C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)cc2N1	ZINC000587126852	HJ	Annotated	Mild	
C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)cc2N1	ZINC000587126853	HJ	Annotated	Anodyne	
C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)cc2N1	ZINC000587126854	HJ	Annotated	Anodyne	
C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)cc2N1	ZINC000587126855	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)cc2N1	ZINC000587126856	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc2c1	ZINC000587126971	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc2c1	ZINC000587126973	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc2c1	ZINC000587126974	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc2c1	ZINC000587126975	HJ	Annotated	Anodyne	
Fc1cc(Br)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c1	ZINC000587127026	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12	ZINC000587127057	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c12	ZINC000587127058	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12	ZINC000587127059	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c12	ZINC000587127060	HJ	Annotated	Anodyne	
Cc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Br	ZINC000587127353	HJ	Annotated	Anodyne	
Cc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Br	ZINC000587127354	HJ	Annotated	Anodyne	
FC(F)(F)Oc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1	ZINC000587127372	HJ	Annotated	Anodyne	
Fc1cc(Br)cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12	ZINC000587127389	HJ	Annotated	Anodyne	
Fc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1Br	ZINC000587127436	HJ	Annotated	Anodyne	
Cc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Br	ZINC000587127439	HJ	Annotated	Anodyne	
Cc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Br	ZINC000587127440	HJ	Annotated	Anodyne	
Nc1ccc(-c2ccc3[nH]c(-c4n[nH]c5cc(OC(F)(F)F)ccc45)nc3c2)cc1N	ZINC000587127553	HJ	Annotated	Anodyne	
N#Cc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cc1C(F)(F)F	ZINC000587127573	HJ	Annotated	Mild	
FC(F)c1c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cnc2ncnn12	ZINC000587127937	HJ	Annotated	Mild	
C[C@@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587128461	HJ	Annotated	Anodyne	
C[C@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587128467	HJ	Annotated	Anodyne	
FC(F)c1nc(-c2ccccc2)sc1-c1nc2nc(Br)c[nH]c-2n1	ZINC000587128726	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1	ZINC000587128956	HJ	Annotated	Anodyne	
FC(F)c1c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cnc2ncnn12	ZINC000587128958	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1	ZINC000587128960	HJ	Annotated	Anodyne	
C[C@@H](c1nc2cc(Cl)nc(C#N)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587128986	HJ	Annotated	Mild	
C[C@H](c1nc2cc(Cl)nc(C#N)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587128987	HJ	Annotated	Mild	
Cn1nc(-c2nc3cc(F)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21	ZINC000587129092	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3ccnc(Br)c3[nH]2)ccc1OC(F)F	ZINC000587129217	HJ	Annotated	Anodyne	
CCCCCOc1cc2nc(-c3nnn(C)c3C(F)F)[nH]c2cc1Br	ZINC000587129237	HJ	Annotated	Anodyne	
C[C@@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587129243	HJ	Annotated	Anodyne	
C[C@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587129244	HJ	Annotated	Anodyne	
C[C@@H](c1nc2cc3c(cc2[nH]1)OCCO3)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587129339	HJ	Annotated	Anodyne	
C[C@H](c1nc2cc3c(cc2[nH]1)OCCO3)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587129341	HJ	Annotated	Anodyne	
C[C@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587129444	HJ	Annotated	Anodyne	
C[C@@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587129445	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3ccnc(Br)c3[nH]2)ccc1OC(F)F	ZINC000587129509	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)CC)cc3[nH]2)ccc1OC(F)F	ZINC000587129715	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)CC)cc3[nH]2)ccc1OC(F)F	ZINC000587129716	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3c(Br)ccnc3[nH]2)ccc1OC(F)F	ZINC000587129767	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3c(Br)ccnc3[nH]2)ccc1OC(F)F	ZINC000587129768	HJ	Annotated	Anodyne	
C[C@@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587129841	HJ	Annotated	Bother	
C[C@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587129843	HJ	Annotated	Bother	
CCOc1cc(/C=C\c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)ccc1OC(F)F	ZINC000587130031	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)ccc1OC(F)F	ZINC000587130033	HJ	Annotated	Anodyne	
CC(C)OC(=O)C1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CC(F)(F)C1	ZINC000587130160	HJ	Annotated	Anodyne	
Cn1nc(-c2nc3cc(C#N)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21	ZINC000587130187	HJ	Annotated	Mild	
COc1cc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1OC	ZINC000587130223	HJ	Annotated	Anodyne	
COc1cc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1OC	ZINC000587130224	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(/C=C/c3ccc(OC(F)F)c(OCC)c3)[nH]c2c1	ZINC000587130319	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(/C=C\c3ccc(OC(F)F)c(OCC)c3)[nH]c2c1	ZINC000587130325	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3cncc(Br)c3[nH]2)ccc1OC(F)F	ZINC000587130409	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3cncc(Br)c3[nH]2)ccc1OC(F)F	ZINC000587130410	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)ccc1OC(F)F	ZINC000587130426	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)ccc1OC(F)F	ZINC000587130427	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3ccc(Br)nc3[nH]2)ccc1OC(F)F	ZINC000587130439	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3ccc(Br)nc3[nH]2)ccc1OC(F)F	ZINC000587130440	HJ	Annotated	Anodyne	
Cc1c(Br)cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2c1C	ZINC000587130504	HJ	Annotated	Anodyne	
COc1cc(OC)c2[nH]c([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2c1	ZINC000587130529	HJ	Annotated	Anodyne	
COc1cc(OC)c2[nH]c([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2c1	ZINC000587130530	HJ	Annotated	Anodyne	
COC(=O)c1cccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c12	ZINC000587130572	HJ	Annotated	Anodyne	
COC(=O)c1cccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c12	ZINC000587130573	HJ	Annotated	Anodyne	
COc1ccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2c1	ZINC000587130603	HJ	Annotated	Anodyne	
Cn1nc(-c2nc3c(F)cccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21	ZINC000587130616	HJ	Annotated	Anodyne	
CC(C)OC(=O)C1(c2nc3cc(Cl)cc(Br)c3[nH]2)CC(F)(F)C1	ZINC000587130668	HJ	Annotated	Anodyne	
Cn1nc(-c2nc3c(C#N)cccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21	ZINC000587130702	HJ	Annotated	Mild	
CC(C)OC(=O)C1(c2nc3cc(Br)cc(Cl)c3[nH]2)CC(F)(F)C1	ZINC000587130724	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3cc(Br)cnc3[nH]2)ccc1OC(F)F	ZINC000587130736	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3cc(Br)cnc3[nH]2)ccc1OC(F)F	ZINC000587130737	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1OC(F)F	ZINC000587130771	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1OC(F)F	ZINC000587130774	HJ	Annotated	Anodyne	
C[C@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587130830	HJ	Annotated	Mild	
C[C@@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587130831	HJ	Annotated	Mild	
C[C@@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587130926	HJ	Annotated	Anodyne	
C[C@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587130928	HJ	Annotated	Anodyne	
C[C@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587130945	HJ	Annotated	Anodyne	
C[C@@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587130947	HJ	Annotated	Anodyne	
C[C@@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587130949	HJ	Annotated	Anodyne	
C[C@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F	ZINC000587130950	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1OC(F)F	ZINC000587131059	HJ	Annotated	Bother	
CCOc1cc(/C=C\c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1OC(F)F	ZINC000587131062	HJ	Annotated	Bother	
CCOc1cc(/C=C/c2nc3cc(Br)ncc3[nH]2)ccc1OC(F)F	ZINC000587131068	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3cc(Br)ncc3[nH]2)ccc1OC(F)F	ZINC000587131069	HJ	Annotated	Anodyne	
Cc1cc2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c2c(C)n1	ZINC000587131081	HJ	Annotated	Anodyne	
COc1cccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc12	ZINC000587131108	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(/C=C\c3ccc(OC(F)F)c(OCC)c3)[nH]c2c1	ZINC000587131202	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(/C=C/c3ccc(OC(F)F)c(OCC)c3)[nH]c2c1	ZINC000587131203	HJ	Annotated	Anodyne	
CCCCNS(=O)(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1	ZINC000587131336	HJ	Annotated	Anodyne	
Oc1nc(NCc2ccccc2)c2nc(C3CC(F)(c4cccc(F)c4)C3)nc-2[nH]1	ZINC000587131344	HJ	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3ccc(OCCN(C)C)cc3[nH]2)ccc1OC(F)F	ZINC000587131396	HJ	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3ccc(OCCN(C)C)cc3[nH]2)ccc1OC(F)F	ZINC000587131397	HJ	Annotated	Anodyne	
O=S(=O)(c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1)C(F)(F)F	ZINC000587131432	HJ	Annotated	Anodyne	
CC(C)OC(=O)C1(c2nc3cccc(OCc4ccccc4)c3[nH]2)CC(F)(F)C1	ZINC000587131505	HJ	Annotated	Anodyne	
O=C(O)c1cc(Br)cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c12	ZINC000587131653	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C(F)(F)C1	ZINC000587131672	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C(F)(F)C1	ZINC000587131674	HJ	Annotated	Anodyne	
Oc1c(Br)ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12	ZINC000587131719	HJ	Annotated	Anodyne	
Oc1c(Br)ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12	ZINC000587131720	HJ	Annotated	Anodyne	
COc1ccccc1NS(=O)(=O)c1ccc2nc(C3(F)CCCCC3)[nH]c2c1	ZINC000587131780	HJ	Annotated	Anodyne	
CC(C)OC(=O)C1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CC(F)(F)C1	ZINC000587131838	HJ	Annotated	Clean	
Cc1cc(Br)cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12	ZINC000587131959	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12	ZINC000587131960	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c(C3CC(F)(c4cccc(F)c4)C3)nc2c1	ZINC000587131981	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1	ZINC000587132049	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1	ZINC000587132050	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2c1	ZINC000587132067	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2c1	ZINC000587132068	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12	ZINC000587132071	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12	ZINC000587132072	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2cc1Br	ZINC000587132150	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2cc1Br	ZINC000587132151	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C(F)(F)C1	ZINC000587132234	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C(F)(F)C1	ZINC000587132235	HJ	Annotated	Anodyne	
O=C(c1nc2c(O)c(Br)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl	ZINC000587132507	HJ	Annotated	Anodyne	
Cc1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Br	ZINC000587132524	HJ	Annotated	Anodyne	
Cc1cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Br	ZINC000587132525	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc12	ZINC000587132570	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc12	ZINC000587132572	HJ	Annotated	Anodyne	
Cc1c(F)cc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc1F	ZINC000587132686	HJ	Annotated	Anodyne	
Cc1nc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2cc1Br	ZINC000587132775	HJ	Annotated	Anodyne	
O=C(c1nc2c(Br)ncc(F)c2[nH]1)c1c(Cl)ccc(F)c1Cl	ZINC000587132820	HJ	Annotated	Anodyne	
N#Cc1cc(Br)c2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2c1	ZINC000587132873	HJ	Annotated	Mild	
COc1c(F)ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1N	ZINC000587132924	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c12	ZINC000587132934	HJ	Annotated	Anodyne	
COc1c(F)ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1N	ZINC000587133262	HJ	Annotated	Anodyne	
COc1c(F)ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1N	ZINC000587133287	HJ	Annotated	Anodyne	
COc1c(F)ccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1N	ZINC000587133442	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(-c3ccc(F)c(OC)c3N)[nH]c2c(F)c1Nc1ccccc1	ZINC000587133624	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2c1	ZINC000587133644	HJ	Annotated	Anodyne	
COc1c(F)ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1N	ZINC000587133647	HJ	Annotated	Anodyne	
O=C(c1nc2nc(Cl)nc(C(F)(F)F)c2[nH]1)c1c(Cl)ccc(F)c1Cl	ZINC000587133654	HJ	Annotated	Anodyne	
COc1c(F)ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1N	ZINC000587133659	HJ	Annotated	Anodyne	
Fc1c(F)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(F)c(F)c1S	ZINC000587133774	HJ	Annotated	Anodyne	
Oc1c(F)cc(F)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1	ZINC000587133815	HJ	Annotated	Anodyne	
Oc1c(F)cc(F)cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1	ZINC000587133823	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(-c3cc(F)cc(F)c3O)[nH]c2c(F)c1Nc1ccccc1	ZINC000587133826	HJ	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3c(F)c(F)c(S)c(F)c3F)nc2c1	ZINC000587133901	HJ	Annotated	Mild	
Fc1c(F)c(-c2nc3cccc(I)c3[nH]2)c(F)c(F)c1S	ZINC000587133902	HJ	Annotated	Anodyne	
Oc1c(F)cc(F)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1	ZINC000587134071	HJ	Annotated	Anodyne	
Fc1c(F)c(F)c(/C=C/c2nc3c(F)cnc(Br)c3[nH]2)c(F)c1F	ZINC000587134138	HJ	Annotated	Anodyne	
Fc1c(F)c(F)c(/C=C\c2nc3c(F)cnc(Br)c3[nH]2)c(F)c1F	ZINC000587134139	HJ	Annotated	Anodyne	
Nc1c(F)cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1F	ZINC000587134209	HJ	Annotated	Anodyne	
Fc1c(F)c(-c2nc3ccc(I)cc3[nH]2)c(F)c(F)c1S	ZINC000587134228	HJ	Annotated	Anodyne	
Oc1c(F)cc(F)cc1-c1nc2c(Br)ccc(Br)c2[nH]1	ZINC000587134342	HJ	Annotated	Anodyne	
Fc1c(F)c(F)c(/C=C/c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(F)c1F	ZINC000587134441	HJ	Annotated	Mild	
Fc1c(F)c(F)c(/C=C\c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(F)c1F	ZINC000587134444	HJ	Annotated	Mild	
COC(=O)c1cc2nc(-c3cc(F)c(N)c(F)c3)[nH]c2c(F)c1Nc1ccccc1	ZINC000587134456	HJ	Annotated	Anodyne	
Nc1ccc(-c2ccc3nc(-c4c(F)c(F)c(S)c(F)c4F)[nH]c3c2)cc1N	ZINC000587134527	HJ	Annotated	Anodyne	
Nc1c(F)cc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1F	ZINC000587134782	HJ	Annotated	Anodyne	
Fc1c(F)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(F)c(F)c1S	ZINC000587134797	HJ	Annotated	Anodyne	
O=[N+]([O-])c1c(Br)ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12	ZINC000587134804	HJ	Annotated	Bother	
O=C(O)c1cc(Br)cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12	ZINC000587134883	HJ	Annotated	Anodyne	
Nc1c(F)cc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1F	ZINC000587135072	HJ	Annotated	Anodyne	
CCCCOc1cc2nc(-c3ccc(F)c(OC)c3N)[nH]c2cc1Br	ZINC000587135085	HJ	Annotated	Anodyne	
Nc1c(F)cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1F	ZINC000587135164	HJ	Annotated	Anodyne	
Nc1c(F)cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1F	ZINC000587135234	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(Br)cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12	ZINC000587135371	HJ	Annotated	Bother	
CC(C)(C)Oc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(N)cc1F	ZINC000587135727	HJ	Annotated	Anodyne	
CC(C)(C)Oc1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(N)cc1F	ZINC000587135854	HJ	Annotated	Anodyne	
CC(C)(C)Oc1cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(N)cc1F	ZINC000587135936	HJ	Annotated	Anodyne	
Cc1cc(N(C)Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c([N+](=O)[O-])cc1F	ZINC000587136028	HJ	Annotated	Clean	
Cc1cc(N(C)Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c([N+](=O)[O-])cc1F	ZINC000587136127	HJ	Annotated	Bother	
CC(C)(C)Oc1cc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c(N)cc1F	ZINC000587136159	HJ	Annotated	Mild	
Cc1cc(N(C)Cc2nc3cc(C)c(Br)cc3[nH]2)c([N+](=O)[O-])cc1F	ZINC000587136170	HJ	Annotated	Bother	
Fc1cc(F)c(-c2nc3c(F)cnc(Br)c3[nH]2)cc1Br	ZINC000587136182	HJ	Annotated	Anodyne	
CN(C)CCOc1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1	ZINC000587136206	HJ	Annotated	Anodyne	
Fc1cc(Br)c(Cl)cc1-c1nc2cc(Br)ncc2[nH]1	ZINC000587136286	HJ	Annotated	Anodyne	
CCCCCOc1cc2nc(-c3cc(N)c(N)cc3F)[nH]c2cc1Br	ZINC000587136330	HJ	Annotated	Anodyne	
Fc1cc(Br)c(Cl)cc1-c1nc2ccc(Br)nc2[nH]1	ZINC000587136428	HJ	Annotated	Anodyne	
Nc1c(F)c(F)cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1F	ZINC000587136467	HJ	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2cc1OC	ZINC000587136478	HJ	Annotated	Anodyne	
Fc1cc(Br)c(Cl)cc1-c1nc2c(Br)ccnc2[nH]1	ZINC000587136492	HJ	Annotated	Anodyne	
Cc1cc(N(C)Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c([N+](=O)[O-])cc1F	ZINC000587136499	HJ	Annotated	Bother	
CC(C)(C)Oc1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(N)cc1F	ZINC000587136576	HJ	Annotated	Bother	
CC(C)CCOc1cc2nc(-c3cc(N)c(N)cc3F)[nH]c2cc1Br	ZINC000587136655	HJ	Annotated	Anodyne	
Cc1cc(N(C)Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c([N+](=O)[O-])cc1F	ZINC000587136682	HJ	Annotated	Bother	
Cc1cc(N(C)Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])cc1F	ZINC000587136715	HJ	Annotated	Bother	
Fc1cc(Br)c(Cl)cc1-c1nc2ccnc(Br)c2[nH]1	ZINC000587136757	HJ	Annotated	Anodyne	
Cc1c(F)cccc1-c1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc([N+](=O)[O-])c1	ZINC000587136760	HJ	Annotated	Bother	
CC(C)(C)Oc1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(N)cc1F	ZINC000587136766	HJ	Annotated	Bother	
CC(C)(C)Oc1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(N)cc1F	ZINC000587136952	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc2c1	ZINC000587137009	HJ	Annotated	Bother	
Cc1cc(N(C)Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c([N+](=O)[O-])cc1F	ZINC000587137020	HJ	Annotated	Bother	
Nc1c(F)c(F)cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1F	ZINC000587137059	HJ	Annotated	Anodyne	
Fc1cc(Br)c(Cl)cc1-c1nc2cncc(Br)c2[nH]1	ZINC000587137127	HJ	Annotated	Anodyne	
Cc1cc(N(C)Cc2nc3cc(Br)c(C)c(C)c3[nH]2)c([N+](=O)[O-])cc1F	ZINC000587137212	HJ	Annotated	Bother	
Fc1cc(Br)c(Cl)cc1-c1nc2cc(Br)cnc2[nH]1	ZINC000587137285	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2cc1Br	ZINC000587137318	HJ	Annotated	Anodyne	
Cc1c(F)cccc1-c1cc(-c2nc3c(S)nc(S)nc3[nH]2)cc([N+](=O)[O-])c1	ZINC000587137320	HJ	Annotated	Bother	
Cc1cc(N(C)Cc2nc3ccc(Br)c(C)c3[nH]2)c([N+](=O)[O-])cc1F	ZINC000587137345	HJ	Annotated	Bother	
Cc1cc(N(C)Cc2nc3cc(Br)cc(C)c3[nH]2)c([N+](=O)[O-])cc1F	ZINC000587137393	HJ	Annotated	Bother	
Cc1cc(Br)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1F	ZINC000587137578	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(-c3cc(Br)c(F)cc3F)nc2cc1Br	ZINC000587137581	HJ	Annotated	Anodyne	
Oc1c(Br)ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12	ZINC000587137612	HJ	Annotated	Anodyne	
Fc1cc(F)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1Br	ZINC000587137614	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(-c3cc(Br)c(F)cc3F)nc2c1	ZINC000587137629	HJ	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3cc(Br)c(F)cc3F)nc2c1	ZINC000587137662	HJ	Annotated	Mild	
CCOC(=O)Cc1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1	ZINC000587137850	HJ	Annotated	Anodyne	
Cc1cc(Br)c(-c2nc3ccc(Br)c(O)c3[nH]2)cc1F	ZINC000587137881	HJ	Annotated	Anodyne	
Cc1cc(Br)c(-c2nc3c(F)cnc(Br)c3[nH]2)cc1F	ZINC000587137931	HJ	Annotated	Anodyne	
Fc1cc(Br)c(Cl)cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1	ZINC000587138075	HJ	Annotated	Anodyne	
O=C1CCc2cc3nc(-c4ccc(-c5cc(C(=O)O)ccc5F)cc4F)[nH]c3cc2N1	ZINC000587138097	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1OC	ZINC000587138149	HJ	Annotated	Anodyne	
O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c(F)c2)c1	ZINC000587138157	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cc1[N+](=O)[O-]	ZINC000587138191	HJ	Annotated	Bother	
N[C@@H](N=O)c1ccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2c1	ZINC000587138200	HJ	Annotated	Anodyne	
N[C@H](N=O)c1ccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2c1	ZINC000587138206	HJ	Annotated	Anodyne	
N#Cc1nc(Cl)cc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c12	ZINC000587138253	HJ	Annotated	Mild	
O=C1c2ccccc2C(=O)c2c1ccc1nc(CCc3cc(F)c(F)c(F)c3)[nH]c21	ZINC000587138304	HJ	Annotated	Clean	
O=C1CCc2cc3nc(-c4ccc(F)c(-c5ccc(C(=O)O)c(F)c5)c4)[nH]c3cc2N1	ZINC000587138447	HJ	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)nc2c1	ZINC000587138549	HJ	Annotated	Anodyne	
N#Cc1nc(Cl)cc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c12	ZINC000587138555	HJ	Annotated	Mild	
O=C(O)c1ccc(-c2cc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)ccc2F)cc1F	ZINC000587138574	HJ	Annotated	Anodyne	
COC(=O)c1cccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c12	ZINC000587138692	HJ	Annotated	Anodyne	
O=C(O)c1ccc(-c2cc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)ccc2F)cc1F	ZINC000587138729	HJ	Annotated	Anodyne	
N[C@@H](N=O)c1ccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2c1	ZINC000587138774	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(I)cc3[nH]2)c1F	ZINC000587138899	HJ	Annotated	Bother	
N[C@H](N=O)c1ccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2c1	ZINC000587138911	HJ	Annotated	Anodyne	
O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c(F)c2)c1	ZINC000587138950	HJ	Annotated	Anodyne	
O=C(O)c1ccc(-c2cc(-c3nc4cc5c(cc4[nH]3)OCCO5)ccc2F)cc1F	ZINC000587138980	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1F	ZINC000587139357	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1F	ZINC000587139395	HJ	Annotated	Bother	
CC(=O)c1ccc(-c2cc(-c3nc4nc(Br)c[nH]c-4n3)ccc2F)cc1	ZINC000587139434	HJ	Annotated	Anodyne	
CC(=O)c1ccc(-c2cc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)ccc2F)cc1	ZINC000587139488	HJ	Annotated	Anodyne	
O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c21	ZINC000587139678	HJ	Annotated	Clean	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1F	ZINC000587139843	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3cccc(I)c3[nH]2)c1F	ZINC000587139912	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1F	ZINC000587139923	HJ	Annotated	Bother	
COC(=O)c1cc2nc(-c3cc(CO)ccc3F)[nH]c2c(F)c1Nc1ccccc1	ZINC000587140017	HJ	Annotated	Anodyne	
Cc1cc(C)c2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc2c1	ZINC000587140095	HJ	Annotated	Anodyne	
Cc1cc(F)c2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc2c1	ZINC000587140096	HJ	Annotated	Anodyne	
O=S(=O)(Nc1ccccc1-c1nc2cccc(Cl)c2[nH]1)c1cc(F)ccc1F	ZINC000587140170	HJ	Annotated	Anodyne	
O=S(=O)(Nc1ccccc1-c1nc2ccc(F)c(F)c2[nH]1)c1cc(F)ccc1F	ZINC000587140189	HJ	Annotated	Anodyne	
Cc1c(F)ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12	ZINC000587140226	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1F	ZINC000587140264	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1F	ZINC000587140337	HJ	Annotated	Bother	
Fc1ccc(S)cc1-c1nc2c(Br)cnc(Br)c2[nH]1	ZINC000587140402	HJ	Annotated	Anodyne	
N=c1[nH]c2nc(-c3cccc(CSc4cc(F)ccc4F)c3)nc-2c(Cl)[nH]1	ZINC000587140551	HJ	Annotated	Anodyne	
Oc1nc(S)nc2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc12	ZINC000587140623	HJ	Annotated	Anodyne	
Cc1ccc(C)c2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc12	ZINC000587140734	HJ	Annotated	Anodyne	
OCc1ccc(F)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1	ZINC000587140745	HJ	Annotated	Anodyne	
OCc1ccc(F)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1	ZINC000587140893	HJ	Annotated	Anodyne	
Fc1ccc(F)c(SCc2cccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)c1	ZINC000587140895	HJ	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc12	ZINC000587140900	HJ	Annotated	Anodyne	
Nc1ccc(F)c(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1	ZINC000587140916	HJ	Annotated	Anodyne	
COc1ccc(-c2nnc(-c3ccc4nc(Cc5cc(N)ccc5F)[nH]c4c3)o2)cc1	ZINC000587140933	HJ	Annotated	Anodyne	
Nc1ccc(F)c(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1	ZINC000587140935	HJ	Annotated	Anodyne	
Cc1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2c1C	ZINC000587141050	HJ	Annotated	Anodyne	
O=S(=O)(Nc1ccccc1-c1nc2cc(F)cc(F)c2[nH]1)c1cc(F)ccc1F	ZINC000587141133	HJ	Annotated	Anodyne	
OCc1ccc(F)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1	ZINC000587141176	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(Cc3cc(N)ccc3F)[nH]c2c(F)c1Nc1ccccc1	ZINC000587141436	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2cn1	ZINC000587141584	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2n1	ZINC000587141586	HJ	Annotated	Anodyne	
Nc1ccc(F)c(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1	ZINC000587141646	HJ	Annotated	Anodyne	
N[C@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(Br)cc1F	ZINC000587142541	HJ	Annotated	Anodyne	
N[C@@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(Br)cc1F	ZINC000587142542	HJ	Annotated	Anodyne	
Fc1cc(Br)ccc1-c1nc2ccc(I)cc2[nH]1	ZINC000587142630	HJ	Annotated	Anodyne	
N[C@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(Br)cc1F	ZINC000587142674	HJ	Annotated	Anodyne	
N[C@@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(Br)cc1F	ZINC000587142675	HJ	Annotated	Anodyne	
N[C@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(Br)cc1F	ZINC000587142679	HJ	Annotated	Anodyne	
N[C@@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(Br)cc1F	ZINC000587142680	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(-c3ccc(C#N)c(F)c3)[nH]c2c(F)c1Nc1ccccc1	ZINC000587142722	HJ	Annotated	Mild	
N[C@@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(Br)cc1F	ZINC000587142729	HJ	Annotated	Anodyne	
N[C@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(Br)cc1F	ZINC000587142736	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3ccc(-c4cc(OC)ccc4Cl)c(F)c3)[nH]c2n1	ZINC000587142738	HJ	Annotated	Anodyne	
N[C@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1F	ZINC000587142844	HJ	Annotated	Anodyne	
N[C@@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1F	ZINC000587142845	HJ	Annotated	Anodyne	
N#Cc1ccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1F	ZINC000587142966	HJ	Annotated	Mild	
N[C@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(Br)cc1F	ZINC000587143064	HJ	Annotated	Anodyne	
N[C@@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(Br)cc1F	ZINC000587143066	HJ	Annotated	Anodyne	
N[C@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1F	ZINC000587143120	HJ	Annotated	Anodyne	
N[C@@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1F	ZINC000587143121	HJ	Annotated	Anodyne	
N#Cc1ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1F	ZINC000587143133	HJ	Annotated	Mild	
COC(=O)c1cccc2nc(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)c(F)c3)[nH]c12	ZINC000587143389	HJ	Annotated	Anodyne	
COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cc2F)c1	ZINC000587143429	HJ	Annotated	Anodyne	
COC(=O)c1cccc2nc(-c3cc(OC)cc(-c4ccc(C(=O)O)cc4F)c3)[nH]c12	ZINC000587143517	HJ	Annotated	Anodyne	
COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Cl)nc(C#N)c4[nH]3)cc2F)c1	ZINC000587143556	HJ	Annotated	Mild	
COc1ccc(Cl)c(-c2ccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc2F)c1	ZINC000587143742	HJ	Annotated	Anodyne	
COc1cc(-c2nc3cc(OC)cc(OC)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1	ZINC000587143769	HJ	Annotated	Anodyne	
COc1cc(-c2nc3c(F)cnc(Cl)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1	ZINC000587143867	HJ	Annotated	Anodyne	
COc1ccc(C(=O)c2ccccc2-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1F	ZINC000587143897	HJ	Annotated	Bother	
COc1ccc(C(=O)c2ccccc2-c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1F	ZINC000587144018	HJ	Annotated	Mild	
COc1cc(OC)c2[nH]c(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)nc2c1	ZINC000587144030	HJ	Annotated	Anodyne	
COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(F)cnc(Cl)c4[nH]3)cc2F)c1	ZINC000587144129	HJ	Annotated	Anodyne	
COc1cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1	ZINC000587144132	HJ	Annotated	Anodyne	
COc1cc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1	ZINC000587144137	HJ	Annotated	Mild	
COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)cc2F)c1	ZINC000587144143	HJ	Annotated	Anodyne	
COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OC)cc(OC)c4[nH]3)cc2F)c1	ZINC000587144166	HJ	Annotated	Anodyne	
Cc1cc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1	ZINC000587144327	HJ	Annotated	Anodyne	
COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)cc2F)c1	ZINC000587144402	HJ	Annotated	Bother	
COc1ccc(C(=O)c2ccccc2-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1F	ZINC000587144585	HJ	Annotated	Anodyne	
Cc1cc(-c2nc3c(C#N)nc(Cl)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1	ZINC000587144598	HJ	Annotated	Mild	
Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c(F)c1	ZINC000587144612	HJ	Annotated	Mild	
Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(F)c1	ZINC000587144677	HJ	Annotated	Anodyne	
Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(F)c1	ZINC000587144680	HJ	Annotated	Anodyne	
COc1ccc(C(=O)c2ccccc2-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1F	ZINC000587144930	HJ	Annotated	Bother	
Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(F)c1	ZINC000587144963	HJ	Annotated	Anodyne	
Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(F)c1	ZINC000587144966	HJ	Annotated	Anodyne	
Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(F)c1	ZINC000587145004	HJ	Annotated	Anodyne	
Cc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccc1-c1ccc(C(=O)O)c(F)c1	ZINC000587145024	HJ	Annotated	Anodyne	
N#Cc1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1F	ZINC000587145341	HJ	Annotated	Mild	
Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(F)c1	ZINC000587145448	HJ	Annotated	Anodyne	
Cc1cc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)ccc1-c1ccc(C(=O)O)c(F)c1	ZINC000587145551	HJ	Annotated	Anodyne	
CC1=C(c2ccc3nc(Cc4ccc(-c5ccccc5)c(F)c4)[nH]c3c2)NNC(=O)C1	ZINC000587145885	HJ	Annotated	Anodyne	
Cc1ccc(/C=C\c2nc3c(I)cnc(Cl)c3[nH]2)cc1F	ZINC000587146862	HJ	Annotated	Anodyne	
Cc1ccc(/C=C/c2nc3c(I)cnc(Cl)c3[nH]2)cc1F	ZINC000587146863	HJ	Annotated	Anodyne	
Cc1ccc(-c2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c(Cl)c2)cc1F	ZINC000587146990	HJ	Annotated	Anodyne	
Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2ncc(Br)c(Cl)c2[nH]1	ZINC000587147040	HJ	Annotated	Anodyne	
CCNC(=O)c1ccc(-c2ccc(Cc3nc4cccc(OC)c4[nH]3)cc2)cc1F	ZINC000587147046	HJ	Annotated	Anodyne	
COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c(F)c2)c1	ZINC000587147064	HJ	Annotated	Anodyne	
CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(Cl)ccnc4[nH]3)cc2)cc1F	ZINC000587147071	HJ	Annotated	Anodyne	
Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Br)cc(C#N)cc2[nH]1	ZINC000587147075	HJ	Annotated	Mild	
CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(C)nc(C)cc4[nH]3)cc2)cc1F	ZINC000587147207	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc12	ZINC000587147209	HJ	Annotated	Anodyne	
Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(F)c(Br)ccc2[nH]1	ZINC000587147210	HJ	Annotated	Anodyne	
COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c(F)c2)c1	ZINC000587147220	HJ	Annotated	Bother	
Cc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cc1Br	ZINC000587147249	HJ	Annotated	Anodyne	
Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Br)c(F)ccc2[nH]1	ZINC000587147256	HJ	Annotated	Anodyne	
Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(F)c(Br)cc2[nH]1	ZINC000587147279	HJ	Annotated	Anodyne	
CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccnc(Cl)c4[nH]3)cc2)cc1F	ZINC000587147286	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc12	ZINC000587147311	HJ	Annotated	Anodyne	
Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Cl)ncc(Br)c2[nH]1	ZINC000587147313	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1	ZINC000587147327	HJ	Annotated	Anodyne	
COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OC)cc(OC)c4[nH]3)c(F)c2)c1	ZINC000587147363	HJ	Annotated	Anodyne	
COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(F)cnc(Cl)c4[nH]3)c(F)c2)c1	ZINC000587147369	HJ	Annotated	Anodyne	
Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(C(F)(F)F)c(C#N)cc2[nH]1	ZINC000587147436	HJ	Annotated	Mild	
CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(F)c(F)c4[nH]3)cc2)cc1F	ZINC000587147471	HJ	Annotated	Anodyne	
COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Cl)nc(C#N)c4[nH]3)c(F)c2)c1	ZINC000587147560	HJ	Annotated	Mild	
COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1	ZINC000587147623	HJ	Annotated	Anodyne	
Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(F)cc(Br)cc2[nH]1	ZINC000587147628	HJ	Annotated	Anodyne	
Cc1cc(Br)c2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c2c1	ZINC000587147630	HJ	Annotated	Anodyne	
COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c(F)c2)c1	ZINC000587147643	HJ	Annotated	Anodyne	
CCNC(=O)c1ccc(-c2ccc(Cc3nc4cncc(Cl)c4[nH]3)cc2)cc1F	ZINC000587147675	HJ	Annotated	Anodyne	
CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(F)cc(F)c4[nH]3)cc2)cc1F	ZINC000587147736	HJ	Annotated	Anodyne	
Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Br)cc(F)cc2[nH]1	ZINC000587147739	HJ	Annotated	Anodyne	
O=C1C[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CN1Cc1ccc(F)cc1F	ZINC000587147828	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CN1Cc1ccc(F)cc1F	ZINC000587147830	HJ	Annotated	Anodyne	
CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(Cl)nc4[nH]3)cc2)cc1F	ZINC000587147867	HJ	Annotated	Anodyne	
CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Cl)cnc4[nH]3)cc2)cc1F	ZINC000587147994	HJ	Annotated	Anodyne	
COc1ccc(-c2ccc(-c3nc4nc(Br)c[nH]c-4n3)c(F)c2)c(F)c1	ZINC000587148114	HJ	Annotated	Anodyne	
Fc1ccccc1[C@H](Nc1ccccc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1	ZINC000587148263	HJ	Annotated	Anodyne	
Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1	ZINC000587148267	HJ	Annotated	Anodyne	
COc1ccc(Cc2nc3cc(Br)c(Br)cc3[nH]2)c(F)c1	ZINC000587148412	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1[N+](=O)[O-]	ZINC000587148762	HJ	Annotated	Bother	
O=[N+]([O-])c1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1[N+](=O)[O-]	ZINC000587148763	HJ	Annotated	Bother	
N[C@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(F)cc1F	ZINC000587148853	HJ	Annotated	Anodyne	
N[C@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1F	ZINC000587148873	HJ	Annotated	Anodyne	
O=[N+]([O-])c1ccc(OCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1F	ZINC000587148920	HJ	Annotated	Bother	
COC(=O)c1cc2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2cc1OC	ZINC000587148952	HJ	Annotated	Anodyne	
COC(=O)c1cc2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2cc1OC	ZINC000587148960	HJ	Annotated	Anodyne	
COC(=O)c1cc2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc2cc1OC	ZINC000587149233	HJ	Annotated	Anodyne	
COC(=O)c1cc2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc2cc1OC	ZINC000587149234	HJ	Annotated	Anodyne	
CCCCOc1cc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2cc1Br	ZINC000587149323	HJ	Annotated	Anodyne	
COc1ccc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(F)c1	ZINC000587149374	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(I)cc2[nH]1	ZINC000587149468	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(I)cc2[nH]1	ZINC000587149472	HJ	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1	ZINC000587149480	HJ	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1	ZINC000587149481	HJ	Annotated	Anodyne	
COc1ccc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(F)c1	ZINC000587149486	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1Br	ZINC000587149493	HJ	Annotated	Bother	
COC(=O)c1cc(Br)c2[nH]c([C@@H](C)Oc3ccc(F)c(F)c3)nc2c1	ZINC000587149602	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c([C@H](C)Oc3ccc(F)c(F)c3)nc2c1	ZINC000587149604	HJ	Annotated	Anodyne	
COc1ccc(-c2ccc(-c3nc4c(S)nc(S)nc4[nH]3)c(F)c2)c(F)c1	ZINC000587149755	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cccc(I)c2[nH]1	ZINC000587149899	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc(F)c(F)c1)c1nc2cccc(I)c2[nH]1	ZINC000587149902	HJ	Annotated	Anodyne	
Fc1ccc(O[C@@H](c2ccccc2)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1F	ZINC000587149924	HJ	Annotated	Anodyne	
Fc1ccc(O[C@H](c2ccccc2)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1F	ZINC000587149931	HJ	Annotated	Anodyne	
COc1ccc(Cc2nc3c(Br)ccc(Br)c3[nH]2)c(F)c1	ZINC000587149938	HJ	Annotated	Anodyne	
COc1ccc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(F)c1	ZINC000587150002	HJ	Annotated	Anodyne	
N[C@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1F	ZINC000587150088	HJ	Annotated	Anodyne	
O=C1C[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CN1Cc1ccc(F)cc1F	ZINC000587150208	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CN1Cc1ccc(F)cc1F	ZINC000587150209	HJ	Annotated	Anodyne	
Fc1ccc(/C=C/c2nc3c(Br)cnc(Br)c3[nH]2)c(F)c1	ZINC000587150215	HJ	Annotated	Anodyne	
Fc1ccc(/C=C\c2nc3c(Br)cnc(Br)c3[nH]2)c(F)c1	ZINC000587150221	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc2c1	ZINC000587150223	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc2c1	ZINC000587150226	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc2c1	ZINC000587150227	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc2c1	ZINC000587150229	HJ	Annotated	Anodyne	
Fc1ccc(/C=C/c2nc3c(I)cnc(Cl)c3[nH]2)c(F)c1	ZINC000587150277	HJ	Annotated	Anodyne	
Fc1ccc(/C=C\c2nc3c(I)cnc(Cl)c3[nH]2)c(F)c1	ZINC000587150279	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1OC	ZINC000587150484	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1OC	ZINC000587150485	HJ	Annotated	Anodyne	
CCCOc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1Br	ZINC000587150532	HJ	Annotated	Bother	
O=C1CCc2cc3nc([C@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3cc2N1	ZINC000587150551	HJ	Annotated	Anodyne	
O=C1CCc2cc3nc([C@@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3cc2N1	ZINC000587150555	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccc(F)cc3F)nc2c1	ZINC000587150795	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccc(F)cc3F)nc2c1	ZINC000587150798	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000587151161	HJ	Annotated	Clean	
C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000587151162	HJ	Annotated	Clean	
Fc1ccc(O[C@@H](c2ccccc2)c2nc3nc(Br)c[nH]c-3n2)cc1F	ZINC000587151191	HJ	Annotated	Anodyne	
Fc1ccc(O[C@H](c2ccccc2)c2nc3nc(Br)c[nH]c-3n2)cc1F	ZINC000587151192	HJ	Annotated	Anodyne	
Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(-c3ccc(N)c(N)c3)ccc2[nH]1	ZINC000587151395	HJ	Annotated	Anodyne	
N[C@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(F)cc1F	ZINC000587151545	HJ	Annotated	Anodyne	
O=[N+]([O-])c1ccc(OCc2nc3cc(Br)cc(Cl)c3[nH]2)cc1F	ZINC000587151546	HJ	Annotated	Bother	
N[C@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1F	ZINC000587151875	HJ	Annotated	Anodyne	
N[C@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(F)cc1F	ZINC000587151949	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1OC	ZINC000587151956	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1OC	ZINC000587151959	HJ	Annotated	Anodyne	
N[C@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(F)cc1F	ZINC000587152038	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2cc1Br	ZINC000587152067	HJ	Annotated	Anodyne	
O=[N+]([O-])c1ccc(OCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1F	ZINC000587152370	HJ	Annotated	Bother	
Cc1ccnc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc12	ZINC000587152613	HJ	Annotated	Anodyne	
Fc1ccccc1-c1nnc(SCc2nc3cnccc3[nH]2)n1-c1ccccc1	ZINC000587152623	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3ccc(-c4ccc(OC)cc4F)cc3F)[nH]c2c1OC	ZINC000587152810	HJ	Annotated	Anodyne	
Fc1ccccc1-c1nnc(SCc2nc3cccnc3[nH]2)n1-c1ccccc1	ZINC000587152890	HJ	Annotated	Anodyne	
Cc1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2n1	ZINC000587153169	HJ	Annotated	Anodyne	
Cc1nccc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc12	ZINC000587153204	HJ	Annotated	Anodyne	
O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c21	ZINC000587153277	HJ	Annotated	Clean	
O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c21	ZINC000587153278	HJ	Annotated	Clean	
O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c21	ZINC000587153279	HJ	Annotated	Clean	
O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c21	ZINC000587153280	HJ	Annotated	Clean	
Fc1cnc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2c1	ZINC000587153378	HJ	Annotated	Anodyne	
COc1ccc(-c2ccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c(F)c2)c(F)c1	ZINC000587153409	HJ	Annotated	Anodyne	
Oc1cccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12	ZINC000587153434	HJ	Annotated	Anodyne	
Oc1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1	ZINC000587153523	HJ	Annotated	Anodyne	
Cc1cnc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2c1	ZINC000587153583	HJ	Annotated	Anodyne	
Cc1cncc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12	ZINC000587153629	HJ	Annotated	Anodyne	
COc1cc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2cc1C	ZINC000587153730	HJ	Annotated	Anodyne	
O=C(COc1ccccc1-c1nc2cnc3ccccc3c2[nH]1)Nc1ccccc1F	ZINC000587153947	HJ	Annotated	Anodyne	
O=C(COc1ccccc1-c1nc2cc(F)c(F)c(F)c2[nH]1)Nc1ccccc1F	ZINC000587154008	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br	ZINC000587154031	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br	ZINC000587154032	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br	ZINC000587154033	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br	ZINC000587154034	HJ	Annotated	Anodyne	
C[C@@]1(c2nc3cc(Br)cc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587154107	HJ	Annotated	Anodyne	
C[C@]1(c2nc3cc(Br)cc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587154108	HJ	Annotated	Anodyne	
Cc1cnc(Cl)c2[nH]c(-c3ccccc3OCC(=O)Nc3ccccc3F)nc12	ZINC000587154177	HJ	Annotated	Anodyne	
CCCc1nc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)nn1-c1ccccc1F	ZINC000587154310	HJ	Annotated	Bother	
Fc1cc(Br)cnc1-c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000587154560	HJ	Annotated	Anodyne	
O=C(COc1ccccc1-c1nc2c(F)cnc(Cl)c2[nH]1)Nc1ccccc1F	ZINC000587154834	HJ	Annotated	Anodyne	
Fc1cc(Br)cnc1-c1nc2cc(Cl)cc(Br)c2[nH]1	ZINC000587154932	HJ	Annotated	Anodyne	
Fc1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)nc1Br	ZINC000587154970	HJ	Annotated	Anodyne	
CCCc1nc(-c2nc3c(F)c(Br)ccc3[nH]2)nn1-c1ccccc1F	ZINC000587155134	HJ	Annotated	Anodyne	
COc1cc(-c2nc3cc(C)cc(Br)c3[nH]2)nn1-c1ccccc1F	ZINC000587155159	HJ	Annotated	Anodyne	
CCCc1nc(-c2nc3c(F)cc(Br)cc3[nH]2)nn1-c1ccccc1F	ZINC000587155178	HJ	Annotated	Anodyne	
CCCc1nc(-c2nc3cc(Br)c(C)cc3[nH]2)nn1-c1ccccc1F	ZINC000587155281	HJ	Annotated	Anodyne	
COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)nn1-c1ccccc1F	ZINC000587155285	HJ	Annotated	Bother	
O=C(COc1ccccc1-c1nc2ccc3ncccc3c2[nH]1)Nc1ccccc1F	ZINC000587155297	HJ	Annotated	Anodyne	
C[C@@]1(c2nc3cc(Cl)cc(Br)c3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587155656	HJ	Annotated	Anodyne	
C[C@]1(c2nc3cc(Cl)cc(Br)c3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587155657	HJ	Annotated	Anodyne	
N[C@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587155682	HJ	Annotated	Anodyne	
N[C@@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587155683	HJ	Annotated	Anodyne	
N[C@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F	ZINC000587155684	HJ	Annotated	Anodyne	
N[C@@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F	ZINC000587155685	HJ	Annotated	Anodyne	
Cc1c(Br)cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1C	ZINC000587155713	HJ	Annotated	Anodyne	
Cc1c(Br)cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1C	ZINC000587155714	HJ	Annotated	Anodyne	
Fc1cc(Br)cnc1-c1nc2cc(Br)cc(Cl)c2[nH]1	ZINC000587155758	HJ	Annotated	Anodyne	
Fc1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)nc1Br	ZINC000587155872	HJ	Annotated	Anodyne	
CCCc1nc(-c2nc3cc(Br)ccc3[nH]2)nn1-c1ccccc1F	ZINC000587155879	HJ	Annotated	Anodyne	
CCCc1nc(-c2nc3c(Br)cc(F)cc3[nH]2)nn1-c1ccccc1F	ZINC000587155924	HJ	Annotated	Anodyne	
CCCc1nc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)nn1-c1ccccc1F	ZINC000587155975	HJ	Annotated	Anodyne	
CCCc1nc(-c2nc3c(C)cc(Br)cc3[nH]2)nn1-c1ccccc1F	ZINC000587155979	HJ	Annotated	Anodyne	
CCCc1nc(-c2nc3c(Br)cccc3[nH]2)nn1-c1ccccc1F	ZINC000587155991	HJ	Annotated	Anodyne	
COc1cc(-c2nc3cc(C)c(Br)cc3[nH]2)nn1-c1ccccc1F	ZINC000587155993	HJ	Annotated	Anodyne	
C[C@@]1(c2nc3cc(Br)c(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587156063	HJ	Annotated	Anodyne	
C[C@]1(c2nc3cc(Br)c(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587156064	HJ	Annotated	Anodyne	
N[C@@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587156087	HJ	Annotated	Anodyne	
N[C@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C[C@H]1c1ccccc1F	ZINC000587156088	HJ	Annotated	Anodyne	
N[C@@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C[C@H]1c1ccccc1F	ZINC000587156089	HJ	Annotated	Anodyne	
N[C@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587156090	HJ	Annotated	Anodyne	
Fc1cc(Br)cnc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000587156171	HJ	Annotated	Anodyne	
Fc1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)nc1Br	ZINC000587156192	HJ	Annotated	Anodyne	
Fc1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)nc1Br	ZINC000587156205	HJ	Annotated	Anodyne	
CC[C@H](Oc1ccccc1F)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1	ZINC000587156298	HJ	Annotated	Anodyne	
CC[C@@H](Oc1ccccc1F)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1	ZINC000587156299	HJ	Annotated	Anodyne	
CCCc1nc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)nn1-c1ccccc1F	ZINC000587156304	HJ	Annotated	Bother	
N[C@@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587156399	HJ	Annotated	Anodyne	
N[C@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C[C@H]1c1ccccc1F	ZINC000587156400	HJ	Annotated	Anodyne	
N[C@@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C[C@H]1c1ccccc1F	ZINC000587156401	HJ	Annotated	Anodyne	
N[C@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587156402	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br	ZINC000587156449	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br	ZINC000587156454	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br	ZINC000587156456	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br	ZINC000587156457	HJ	Annotated	Anodyne	
C[C@]1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587156458	HJ	Annotated	Clean	
C[C@@]1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587156460	HJ	Annotated	Clean	
CCCc1nc(-c2nc3cc(C(F)(F)F)c(C#N)cc3[nH]2)nn1-c1ccccc1F	ZINC000587156486	HJ	Annotated	Mild	
C[C@@]1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587156640	HJ	Annotated	Anodyne	
C[C@]1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587156641	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc([C@@]4(N)C[C@@H]4c4ccccc4F)[nH]c3c2)cc1	ZINC000587156655	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc([C@]4(N)C[C@@H]4c4ccccc4F)[nH]c3c2)cc1	ZINC000587156659	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc([C@@]4(N)C[C@H]4c4ccccc4F)[nH]c3c2)cc1	ZINC000587156660	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc([C@]4(N)C[C@H]4c4ccccc4F)[nH]c3c2)cc1	ZINC000587156662	HJ	Annotated	Anodyne	
COc1cc(-c2nc3ccc(Br)c(C)c3[nH]2)nn1-c1ccccc1F	ZINC000587156665	HJ	Annotated	Anodyne	
CCCc1nc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)nn1-c1ccccc1F	ZINC000587156688	HJ	Annotated	Anodyne	
CCCc1nc(-c2nc3c(Br)cc(C)cc3[nH]2)nn1-c1ccccc1F	ZINC000587156745	HJ	Annotated	Anodyne	
CCCc1nc(-c2nc3c(Br)c(F)ccc3[nH]2)nn1-c1ccccc1F	ZINC000587156850	HJ	Annotated	Anodyne	
COc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)nn1-c1ccccc1F	ZINC000587156853	HJ	Annotated	Bother	
COc1cc(-c2nc3cc(Br)cc(C)c3[nH]2)nn1-c1ccccc1F	ZINC000587156854	HJ	Annotated	Anodyne	
N#Cc1cc(F)ccc1-c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1	ZINC000587156947	HJ	Annotated	Mild	
Cc1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1C	ZINC000587156972	HJ	Annotated	Anodyne	
CCc1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1	ZINC000587156980	HJ	Annotated	Anodyne	
Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(F)cc(F)c4[nH]3)o2)c1	ZINC000587157092	HJ	Annotated	Anodyne	
COc1cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)nn1-c1ccccc1F	ZINC000587157097	HJ	Annotated	Clean	
COc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)nn1-c1ccccc1F	ZINC000587157112	HJ	Annotated	Anodyne	
COc1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)nn1-c1ccccc1F	ZINC000587157114	HJ	Annotated	Anodyne	
COc1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)nn1-c1ccccc1F	ZINC000587157178	HJ	Annotated	Anodyne	
N#Cc1cc(F)ccc1-c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1	ZINC000587157196	HJ	Annotated	Mild	
COc1cc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)nn1-c1ccccc1F	ZINC000587157203	HJ	Annotated	Anodyne	
Cc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1F	ZINC000587157209	HJ	Annotated	Anodyne	
CCCc1nc(-c2nc3cc(F)c(Br)cc3[nH]2)nn1-c1ccccc1F	ZINC000587157225	HJ	Annotated	Anodyne	
Cc1ccc(C)c2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc12	ZINC000587157261	HJ	Annotated	Anodyne	
CCCc1nc(-c2nc3c(C)c(Br)ccc3[nH]2)nn1-c1ccccc1F	ZINC000587157269	HJ	Annotated	Anodyne	
Cc1cc(C)c2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc2c1	ZINC000587157277	HJ	Annotated	Anodyne	
CCCOc1cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br	ZINC000587157287	HJ	Annotated	Anodyne	
CCCOc1cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br	ZINC000587157288	HJ	Annotated	Anodyne	
CCCOc1cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br	ZINC000587157289	HJ	Annotated	Anodyne	
CCCOc1cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br	ZINC000587157290	HJ	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(-c3ccc(F)cc3C#N)nc2c(F)c1Nc1ccccc1	ZINC000587157398	HJ	Annotated	Mild	
Fc1ccc(Br)c(-c2nnc(CCc3nc4cccc(Cl)c4[nH]3)o2)c1	ZINC000587157404	HJ	Annotated	Anodyne	
Cc1c(F)ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12	ZINC000587157405	HJ	Annotated	Anodyne	
Cc1cc(F)c2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc2c1	ZINC000587157409	HJ	Annotated	Anodyne	
Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(Cl)cc4[nH]3)o2)c1	ZINC000587157468	HJ	Annotated	Anodyne	
Cc1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1	ZINC000587157501	HJ	Annotated	Anodyne	
N#Cc1cc(F)ccc1-c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1	ZINC000587157525	HJ	Annotated	Mild	
COC(=O)c1cc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc2cc1OC	ZINC000587157676	HJ	Annotated	Anodyne	
O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1	ZINC000587157715	HJ	Annotated	Anodyne	
Cc1cccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12	ZINC000587157936	HJ	Annotated	Anodyne	
Cc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1C	ZINC000587157973	HJ	Annotated	Anodyne	
Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(F)c(F)c4[nH]3)o2)c1	ZINC000587157983	HJ	Annotated	Anodyne	
Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(F)c(F)cc4[nH]3)o2)c1	ZINC000587158003	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2cc1[N+](=O)[O-]	ZINC000587158188	HJ	Annotated	Bother	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Br)cc(Cl)c2[nH]1	ZINC000587158228	HJ	Annotated	Bother	
CCCOc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1Br	ZINC000587158388	HJ	Annotated	Bother	
Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cncc(Br)c3[nH]2)c1	ZINC000587158459	HJ	Annotated	Anodyne	
COC(=O)c1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1OC	ZINC000587158461	HJ	Annotated	Anodyne	
CCCCOc1cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br	ZINC000587158521	HJ	Annotated	Anodyne	
CCCCOc1cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br	ZINC000587158522	HJ	Annotated	Anodyne	
CCCCOc1cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br	ZINC000587158524	HJ	Annotated	Anodyne	
CCCCOc1cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br	ZINC000587158527	HJ	Annotated	Anodyne	
O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1	ZINC000587158600	HJ	Annotated	Bother	
O=C1COc2cc3[nH]c([C@@H](Oc4ccc(F)cc4Cl)c4ccccc4)nc3cc2N1	ZINC000587158650	HJ	Annotated	Anodyne	
O=C1COc2cc3[nH]c([C@H](Oc4ccc(F)cc4Cl)c4ccccc4)nc3cc2N1	ZINC000587158651	HJ	Annotated	Anodyne	
Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1	ZINC000587158660	HJ	Annotated	Anodyne	
Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(Br)ncc3[nH]2)c1	ZINC000587158730	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1Br	ZINC000587158768	HJ	Annotated	Bother	
N[C@@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587158959	HJ	Annotated	Anodyne	
N[C@@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F	ZINC000587158960	HJ	Annotated	Anodyne	
N[C@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587158961	HJ	Annotated	Anodyne	
N[C@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F	ZINC000587158962	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c2cc1OC	ZINC000587159016	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1	ZINC000587159137	HJ	Annotated	Anodyne	
Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccnc(Br)c3[nH]2)c1	ZINC000587159291	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1OC	ZINC000587159375	HJ	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12	ZINC000587159413	HJ	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12	ZINC000587159414	HJ	Annotated	Anodyne	
Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccc(Br)nc3[nH]2)c1	ZINC000587159497	HJ	Annotated	Anodyne	
Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(Br)cnc3[nH]2)c1	ZINC000587159594	HJ	Annotated	Anodyne	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1	ZINC000587159599	HJ	Annotated	Bother	
COC(=O)c1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2n1	ZINC000587159630	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2n1	ZINC000587159631	HJ	Annotated	Anodyne	
CN(C)CCOc1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1	ZINC000587159650	HJ	Annotated	Anodyne	
Fc1ccc(-n2cnc3ccccc32)c(-c2nc3c(Br)ccnc3[nH]2)c1	ZINC000587159715	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cn1	ZINC000587159720	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cn1	ZINC000587159813	HJ	Annotated	Anodyne	
Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(S)nc(S)nc3[nH]2)c(Cl)c1	ZINC000587159976	HJ	Annotated	Anodyne	
Fc1ccc(O[C@H](c2ccccc2)c2nc3c(S)nc(S)nc3[nH]2)c(Cl)c1	ZINC000587159977	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(F)cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1	ZINC000587159985	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(F)cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1	ZINC000587160077	HJ	Annotated	Bother	
COc1cccc(-c2cc(F)cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)c1	ZINC000587160248	HJ	Annotated	Anodyne	
Cc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1Br	ZINC000587160278	HJ	Annotated	Anodyne	
Fc1cccc(Cn2nnc(-c3nc4cc(F)cc(Br)c4[nH]3)c2Cl)c1	ZINC000587160298	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc2c1	ZINC000587160313	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1	ZINC000587160461	HJ	Annotated	Bother	
COC(=O)c1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c(F)c1Nc1ccccc1	ZINC000587160539	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(F)cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1	ZINC000587160541	HJ	Annotated	Bother	
Fc1cccc([C@H]2C[C@H]2c2nc3c(Br)cnc(Br)c3[nH]2)c1	ZINC000587160571	HJ	Annotated	Anodyne	
Fc1cccc([C@@H]2C[C@@H]2c2nc3c(Br)cnc(Br)c3[nH]2)c1	ZINC000587160574	HJ	Annotated	Anodyne	
Fc1cccc([C@@H]2C[C@H]2c2nc3c(Br)cnc(Br)c3[nH]2)c1	ZINC000587160575	HJ	Annotated	Anodyne	
Fc1cccc([C@H]2C[C@@H]2c2nc3c(Br)cnc(Br)c3[nH]2)c1	ZINC000587160576	HJ	Annotated	Anodyne	
Fc1cccc(Cn2nnc(-c3nc4ccc(F)c(Br)c4[nH]3)c2Cl)c1	ZINC000587160718	HJ	Annotated	Anodyne	
COc1cncc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12	ZINC000587160858	HJ	Annotated	Anodyne	
Fc1cccc(Cn2nnc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2Cl)c1	ZINC000587160967	HJ	Annotated	Anodyne	
Fc1cc(Br)cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1	ZINC000587160985	HJ	Annotated	Anodyne	
Fc1ccc(Oc2ccc(-c3nc4cnc(Cl)[nH]c-4n3)cn2)c(Br)c1	ZINC000587161015	HJ	Annotated	Anodyne	
O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(F)cc(Br)c3)[nH]c12	ZINC000587161032	HJ	Annotated	Bother	
Fc1ccc(Oc2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cn2)c(Br)c1	ZINC000587161038	HJ	Annotated	Anodyne	
Fc1cccc(Cn2nnc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2Cl)c1	ZINC000587161119	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12	ZINC000587161205	HJ	Annotated	Anodyne	
Fc1cccc(Cn2nnc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2Cl)c1	ZINC000587161213	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12	ZINC000587161237	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(F)cc(Br)c3)[nH]c12	ZINC000587161282	HJ	Annotated	Bother	
COc1nccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12	ZINC000587161348	HJ	Annotated	Anodyne	
Fc1cccc(Cn2nnc(-c3nc4cc(Br)cc(F)c4[nH]3)c2Cl)c1	ZINC000587161439	HJ	Annotated	Anodyne	
Fc1cccc([C@H]2C[C@H]2c2nc3c(I)cnc(Cl)c3[nH]2)c1	ZINC000587161445	HJ	Annotated	Anodyne	
Fc1cccc([C@@H]2C[C@@H]2c2nc3c(I)cnc(Cl)c3[nH]2)c1	ZINC000587161446	HJ	Annotated	Anodyne	
Fc1cccc([C@@H]2C[C@H]2c2nc3c(I)cnc(Cl)c3[nH]2)c1	ZINC000587161447	HJ	Annotated	Anodyne	
Fc1cccc([C@H]2C[C@@H]2c2nc3c(I)cnc(Cl)c3[nH]2)c1	ZINC000587161448	HJ	Annotated	Anodyne	
COc1ccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2n1	ZINC000587161474	HJ	Annotated	Anodyne	
O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(F)cc(Br)c3)[nH]c21	ZINC000587161475	HJ	Annotated	Clean	
OCc1ccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2c1	ZINC000587161493	HJ	Annotated	Anodyne	
Fc1ccc(Oc2ccc(-c3nc4c(Cl)ncnc4[nH]3)cn2)c(Br)c1	ZINC000587161505	HJ	Annotated	Anodyne	
Fc1cc(Br)cc(-c2nc3cccc(I)c3[nH]2)c1	ZINC000587161514	HJ	Annotated	Anodyne	
N#Cc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1C(F)(F)F	ZINC000587161587	HJ	Annotated	Mild	
CCCOc1cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2cc1Br	ZINC000587161753	HJ	Annotated	Anodyne	
O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1	ZINC000587161983	HJ	Annotated	Anodyne	
Fc1cccc(Cn2nnc(-c3nc4ccc(Br)c(F)c4[nH]3)c2Cl)c1	ZINC000587162224	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@H]3c3cccc(F)c3)nc2c1	ZINC000587162324	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3)nc2c1	ZINC000587162326	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3)nc2c1	ZINC000587162327	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3)nc2c1	ZINC000587162329	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br	ZINC000587162333	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br	ZINC000587162334	HJ	Annotated	Anodyne	
Fc1cccc(Cn2nnc(-c3nc4cc(Br)c(F)cc4[nH]3)c2Cl)c1	ZINC000587162335	HJ	Annotated	Anodyne	
Fc1cccc(Cn2nnc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2Cl)c1	ZINC000587162380	HJ	Annotated	Anodyne	
O=C(c1ccc(F)cc1)c1ccccc1-c1nc2c(F)cnc(Br)c2[nH]1	ZINC000587162784	HJ	Annotated	Anodyne	
O=C1CC=C(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)NN1Cc1ccc(F)cc1	ZINC000587162938	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2cc1Br	ZINC000587163323	HJ	Annotated	Anodyne	
O=C1CC=C(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)NN1Cc1ccc(F)cc1	ZINC000587163385	HJ	Annotated	Anodyne	
Fc1ccc(/C=C(\c2nc3nc(Br)c[nH]c-3n2)c2cccs2)cc1	ZINC000587163510	HJ	Annotated	Anodyne	
Fc1ccc(/C=C(/c2nc3nc(Br)c[nH]c-3n2)c2cccs2)cc1	ZINC000587163511	HJ	Annotated	Anodyne	
O=C1CC=C(c2nc3ccc(SC(F)(F)F)cc3[nH]2)NN1Cc1ccc(F)cc1	ZINC000587163762	HJ	Annotated	Anodyne	
O=S(=O)(O)c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1	ZINC000587163840	HJ	Annotated	Anodyne	
O=S(=O)(O)c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1	ZINC000587163842	HJ	Annotated	Anodyne	
CCCOc1cc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br	ZINC000587164651	HJ	Annotated	Anodyne	
CCCOc1cc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br	ZINC000587164652	HJ	Annotated	Anodyne	
Fc1ccc(-c2cnn(Cc3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)cc1	ZINC000587165350	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C)cnc3[nH]2)c1C	ZINC000587165441	HJ	Annotated	Anodyne	
CC1=C(c2ccc3[nH]c(-c4sccc4-c4ccc(F)cc4)nc3c2)NNC(=O)C1	ZINC000587165447	HJ	Annotated	Anodyne	
Fc1ccc(-c2cnn(Cc3nc4cc(Br)c(F)c(F)c4[nH]3)c2)cc1	ZINC000587165482	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc(C#N)c3[nH]2)c1C	ZINC000587165590	HJ	Annotated	Mild	
Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(F)cnc3[nH]2)cc1	ZINC000587165652	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(C)ccnc3[nH]2)c1C	ZINC000587165710	HJ	Annotated	Anodyne	
Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc4cn[nH]c4cc3[nH]2)cc1	ZINC000587165718	HJ	Annotated	Anodyne	
N#Cc1nc(Cl)cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12	ZINC000587165755	HJ	Annotated	Mild	
O=C(O)c1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cc1F	ZINC000587165784	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cncc(C)c3[nH]2)c1C	ZINC000587165816	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc(OC)c3[nH]2)c1C	ZINC000587165869	HJ	Annotated	Anodyne	
Cc1c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc(-c2ccc(F)cc2)n1C	ZINC000587165966	HJ	Annotated	Anodyne	
O=C(O)c1cc(F)cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12	ZINC000587165991	HJ	Annotated	Anodyne	
N#Cc1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1	ZINC000587166029	HJ	Annotated	Mild	
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(C)nccc3[nH]2)c1C	ZINC000587166052	HJ	Annotated	Anodyne	
N#Cc1cccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12	ZINC000587166072	HJ	Annotated	Mild	
Fc1ccc(-c2cn3c(Cc4nc5cc6c(cc5[nH]4)OCCCO6)csc3n2)cc1	ZINC000587166122	HJ	Annotated	Anodyne	
O=C1CCc2cc3nc(Cc4csc5nc(-c6ccc(F)cc6)cn45)[nH]c3cc2N1	ZINC000587166141	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc(O)c3[nH]2)c1C	ZINC000587166170	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(O)cc3[nH]2)c1C	ZINC000587166249	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(C#N)cc3[nH]2)c1C	ZINC000587166250	HJ	Annotated	Mild	
COc1cc(OC)c2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc2c1	ZINC000587166267	HJ	Annotated	Anodyne	
Fc1ccc(-c2cn3c(Cc4nc5c(F)cnc(Cl)c5[nH]4)csc3n2)cc1	ZINC000587166271	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(OC)cc3[nH]2)c1C	ZINC000587166277	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1	ZINC000587166358	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cc1F	ZINC000587166361	HJ	Annotated	Bother	
O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(Br)c(O)c2[nH]1	ZINC000587166374	HJ	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1	ZINC000587166377	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(C)nc(C)cc3[nH]2)c1C	ZINC000587166426	HJ	Annotated	Anodyne	
Cc1cc2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc2cc1[N+](=O)[O-]	ZINC000587166429	HJ	Annotated	Bother	
OCc1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1	ZINC000587166444	HJ	Annotated	Anodyne	
Cc1c(-c2nc3c(F)cnc(Br)c3[nH]2)cc(-c2ccc(F)cc2)n1C	ZINC000587166446	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(C)nc3[nH]2)c1C	ZINC000587166466	HJ	Annotated	Anodyne	
COc1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cc1OC	ZINC000587166660	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2cc1Br	ZINC000587166736	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2cc1Br	ZINC000587166737	HJ	Annotated	Anodyne	
O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(F)cc(F)c2[nH]1	ZINC000587166907	HJ	Annotated	Anodyne	
C=CCc1cccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12	ZINC000587167022	HJ	Annotated	Mild	
CCc1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1	ZINC000587167041	HJ	Annotated	Anodyne	
O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cnc3ccccc3c2[nH]1	ZINC000587167057	HJ	Annotated	Anodyne	
O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(F)c(F)c2[nH]1	ZINC000587167062	HJ	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(Br)c(F)c2[nH]1	ZINC000587167072	HJ	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(Br)c(F)c2[nH]1	ZINC000587167073	HJ	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(F)c(Br)c2[nH]1	ZINC000587167078	HJ	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(F)c(Br)c2[nH]1	ZINC000587167079	HJ	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(Br)cc(F)c2[nH]1	ZINC000587167100	HJ	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(Br)cc(F)c2[nH]1	ZINC000587167101	HJ	Annotated	Anodyne	
CCCOc1cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2cc1Br	ZINC000587167118	HJ	Annotated	Anodyne	
CCCOc1cc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2cc1Br	ZINC000587167119	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc12	ZINC000587167136	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc12	ZINC000587167137	HJ	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cccc(Br)c2[nH]1	ZINC000587167149	HJ	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cccc(Br)c2[nH]1	ZINC000587167150	HJ	Annotated	Anodyne	
Cc1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1F	ZINC000587167262	HJ	Annotated	Anodyne	
O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc3ncccc3c2[nH]1	ZINC000587167264	HJ	Annotated	Anodyne	
Cc1cc(F)c2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc2c1	ZINC000587167269	HJ	Annotated	Anodyne	
Cc1cc(C)c2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc2c1	ZINC000587167304	HJ	Annotated	Anodyne	
CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cnncc4[nH]3)c12	ZINC000587167652	HJ	Annotated	Anodyne	
Fc1ccc(-n2nnc(-c3nc4cc(Br)c(F)cc4[nH]3)c2C2CC2)cc1	ZINC000587167662	HJ	Annotated	Anodyne	
N#Cc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1C(F)(F)F	ZINC000587167688	HJ	Annotated	Mild	
Cc1ccc(C)c2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc12	ZINC000587167728	HJ	Annotated	Anodyne	
Cc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1Br	ZINC000587167731	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12	ZINC000587167773	HJ	Annotated	Anodyne	
Fc1ccc(-n2nnc(-c3nc4ccc(Br)c(F)c4[nH]3)c2C2CC2)cc1	ZINC000587168228	HJ	Annotated	Anodyne	
CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ncc[nH]c-4n3)c12	ZINC000587168236	HJ	Annotated	Anodyne	
Fc1ccc(-n2nnc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2C2CC2)cc1	ZINC000587168287	HJ	Annotated	Anodyne	
Fc1ccc(-n2nnc(-c3nc4cc(F)cc(Br)c4[nH]3)c2C2CC2)cc1	ZINC000587168301	HJ	Annotated	Anodyne	
Fc1ccc(OCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1	ZINC000587168318	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12	ZINC000587168355	HJ	Annotated	Anodyne	
CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cncnc4[nH]3)c12	ZINC000587168405	HJ	Annotated	Anodyne	
Cc1c(F)ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12	ZINC000587168459	HJ	Annotated	Anodyne	
Cc1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1C	ZINC000587168546	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)Oc3ccc(F)cc3)nc2c1	ZINC000587168589	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)Oc3ccc(F)cc3)nc2c1	ZINC000587168590	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccc(F)cc1)c1nc2c(Br)cnc(Br)c2[nH]1	ZINC000587168596	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc(F)cc1)c1nc2c(Br)cnc(Br)c2[nH]1	ZINC000587168598	HJ	Annotated	Anodyne	
Fc1ccc(-n2nnc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2C2CC2)cc1	ZINC000587168604	HJ	Annotated	Anodyne	
Fc1ccc(OCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1	ZINC000587168636	HJ	Annotated	Anodyne	
Fc1ccc(-n2nnc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2C2CC2)cc1	ZINC000587168676	HJ	Annotated	Bother	
Fc1ccc(-n2nnc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2C2CC2)cc1	ZINC000587168691	HJ	Annotated	Bother	
Fc1ccc(-n2nnc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2C2CC2)cc1	ZINC000587168726	HJ	Annotated	Anodyne	
Fc1ccc(OCc2nc3cc(Br)c(Br)cc3[nH]2)cc1	ZINC000587168762	HJ	Annotated	Anodyne	
Fc1ccc(OCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1	ZINC000587168800	HJ	Annotated	Anodyne	
Fc1ccc(-n2nnc(-c3nc4ccc(F)c(Br)c4[nH]3)c2C2CC2)cc1	ZINC000587168851	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc2c1	ZINC000587168862	HJ	Annotated	Anodyne	
Fc1ccc(-n2nnc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2C2CC2)cc1	ZINC000587168905	HJ	Annotated	Anodyne	
Fc1ccc(OCc2nc3c(Br)ccc(Br)c3[nH]2)cc1	ZINC000587169052	HJ	Annotated	Anodyne	
Fc1ccc(-n2nnc(-c3nc4cc(Br)cc(F)c4[nH]3)c2C2CC2)cc1	ZINC000587169234	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(COc3ccc(F)cc3)[nH]c2c(F)c1Nc1ccccc1	ZINC000587169428	HJ	Annotated	Anodyne	
CN(Cc1nc2c3ccccc3c3ccccc3c2[nH]1)S(=O)(=O)c1ccc(F)cc1	ZINC000587169639	HJ	Annotated	Bother	
Cc1ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1C	ZINC000587169861	HJ	Annotated	Anodyne	
Cc1cc(F)c2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc2c1	ZINC000587170107	HJ	Annotated	Anodyne	
Cc1cc(C)c2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc2c1	ZINC000587170117	HJ	Annotated	Anodyne	
C[C@H](CSc1ccc(F)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	ZINC000587170136	HJ	Annotated	Anodyne	
C[C@@H](CSc1ccc(F)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	ZINC000587170137	HJ	Annotated	Anodyne	
C=CCc1cccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12	ZINC000587170248	HJ	Annotated	Mild	
Cc1c(F)ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12	ZINC000587170300	HJ	Annotated	Anodyne	
O=c1c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12	ZINC000587170504	HJ	Annotated	Anodyne	
O=c1c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12	ZINC000587170510	HJ	Annotated	Anodyne	
CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2c1	ZINC000587170526	HJ	Annotated	Anodyne	
CCCCNS(=O)(=O)c1ccc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2c1	ZINC000587170527	HJ	Annotated	Anodyne	
O=c1c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12	ZINC000587170546	HJ	Annotated	Anodyne	
C=CCc1cccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12	ZINC000587170583	HJ	Annotated	Mild	
Cc1ccc(C)c2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc12	ZINC000587170621	HJ	Annotated	Anodyne	
O=c1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12	ZINC000587170666	HJ	Annotated	Anodyne	
C[C@H](CSc1ccc(F)cc1)c1nc2cc(I)cnc2[nH]1	ZINC000587170909	HJ	Annotated	Anodyne	
C[C@@H](CSc1ccc(F)cc1)c1nc2cc(I)cnc2[nH]1	ZINC000587170913	HJ	Annotated	Anodyne	
O=c1c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12	ZINC000587170952	HJ	Annotated	Bother	
O=c1c(-c2nc3ccc(Br)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12	ZINC000587170959	HJ	Annotated	Anodyne	
COc1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2cc1Cl	ZINC000587170973	HJ	Annotated	Anodyne	
CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2c1	ZINC000587171029	HJ	Annotated	Anodyne	
CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2c1	ZINC000587171031	HJ	Annotated	Anodyne	
O=c1c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12	ZINC000587171244	HJ	Annotated	Anodyne	
Fc1cc2c(c(Cc3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c1)OCOC2	ZINC000587171497	HJ	Annotated	Anodyne	
O=c1c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12	ZINC000587171515	HJ	Annotated	Anodyne	
CCCOc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1Br	ZINC000587171579	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1Br	ZINC000587171610	HJ	Annotated	Anodyne	
O=c1c(-c2nc3cccc(Br)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12	ZINC000587171691	HJ	Annotated	Anodyne	
O=c1c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12	ZINC000587172123	HJ	Annotated	Anodyne	
C[C@@]1(c2nc3cc(Br)cc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587172230	HJ	Annotated	Anodyne	
C[C@]1(c2nc3cc(Br)cc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587172231	HJ	Annotated	Anodyne	
C[C@@]1(c2nc3cc(Cl)cc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587172259	HJ	Annotated	Anodyne	
C[C@]1(c2nc3cc(Cl)cc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587172261	HJ	Annotated	Anodyne	
Fc1ccc2c(c1)C[C@@H](c1nc3cc(Br)c(Br)cc3[nH]1)O2	ZINC000587173233	HJ	Annotated	Anodyne	
Fc1ccc2c(c1)C[C@H](c1nc3cc(Br)c(Br)cc3[nH]1)O2	ZINC000587173234	HJ	Annotated	Anodyne	
Cc1c(Br)cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1C	ZINC000587173365	HJ	Annotated	Anodyne	
Cc1c(Br)cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1C	ZINC000587173369	HJ	Annotated	Anodyne	
C[C@]1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587173528	HJ	Annotated	Clean	
C[C@@]1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587173529	HJ	Annotated	Clean	
C[C@@]1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587173753	HJ	Annotated	Anodyne	
C[C@]1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587173754	HJ	Annotated	Anodyne	
O=C(O)c1cc(Br)cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c12	ZINC000587174085	HJ	Annotated	Anodyne	
C[C@@]1(c2nc3cccc(OCc4ccccc4)c3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587174111	HJ	Annotated	Anodyne	
C[C@]1(c2nc3cccc(OCc4ccccc4)c3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587174112	HJ	Annotated	Anodyne	
C[C@@]1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587174337	HJ	Annotated	Anodyne	
C[C@]1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587174338	HJ	Annotated	Anodyne	
Fc1ccc2c(-c3nc4c(I)cnc(Cl)c4[nH]3)coc2c1	ZINC000587174736	HJ	Annotated	Anodyne	
Fc1ccc2[nH]c(-c3nc4cc(I)cnc4[nH]3)c(Cl)c2c1	ZINC000587175214	HJ	Annotated	Anodyne	
Oc1nc(NCc2ccccc2)c2nc(-c3[nH]c4ccc(F)cc4c3Cl)nc-2[nH]1	ZINC000587175215	HJ	Annotated	Anodyne	
Fc1cncc(Cl)c1Cc1nc2c(Br)ccc(Br)c2[nH]1	ZINC000587175263	HJ	Annotated	Anodyne	
Fc1ccc2c(c1)C[C@H](c1nc3c(Br)ccc(Br)c3[nH]1)O2	ZINC000587175347	HJ	Annotated	Anodyne	
Fc1ccc2c(c1)C[C@@H](c1nc3c(Br)ccc(Br)c3[nH]1)O2	ZINC000587175348	HJ	Annotated	Anodyne	
Fc1cccc2c(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)n[nH]c12	ZINC000587175747	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc(Cc4c(F)cncc4Cl)[nH]c3c2)cc1	ZINC000587176083	HJ	Annotated	Anodyne	
COc1ncc(F)cc1-c1nc2cc(Br)c(OCCC(C)C)cc2[nH]1	ZINC000587176103	HJ	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c(F)c1Nc1ccccc1	ZINC000587176230	HJ	Annotated	Anodyne	
Fc1cncc(Cl)c1Cc1nc2cc(Br)c(Br)cc2[nH]1	ZINC000587176396	HJ	Annotated	Anodyne	
Fc1cccc2c(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)n[nH]c12	ZINC000587176457	HJ	Annotated	Anodyne	
Fc1cccc2c(-c3nc4cc(Br)c(Br)cc4[nH]3)n[nH]c12	ZINC000587176496	HJ	Annotated	Anodyne	
Fc1cccc2c(-c3nc4cc(Br)c(OC(F)(F)F)cc4[nH]3)n[nH]c12	ZINC000587176916	HJ	Annotated	Anodyne	
Fc1nc(Cl)ccc1-c1nc2cc(Br)c(Br)cc2[nH]1	ZINC000587177203	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1Br	ZINC000587177587	HJ	Annotated	Anodyne	
CCCOc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1Br	ZINC000587177621	HJ	Annotated	Anodyne	
Fc1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc(N2CCCC2)n1	ZINC000587177676	HJ	Annotated	Anodyne	
Fc1nc(Cl)ccc1-c1nc2c(Br)ccc(Br)c2[nH]1	ZINC000587177736	HJ	Annotated	Anodyne	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1	ZINC000587177872	HJ	Annotated	Unstable	
Fc1ncc(Br)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1	ZINC000587177936	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12	ZINC000587177984	HJ	Annotated	Unstable	
Fc1ncc(Br)cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000587178170	HJ	Annotated	Anodyne	
Cc1c(Br)cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1C	ZINC000587178180	HJ	Annotated	Unstable	
Cc1cc(Br)cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12	ZINC000587178184	HJ	Annotated	Unstable	
Fc1ncc(Br)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000587178264	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2c1	ZINC000587178294	HJ	Annotated	Unstable	
N#Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1	ZINC000587178436	HJ	Annotated	Mild	
COc1cccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12	ZINC000587178438	HJ	Annotated	Anodyne	
COc1cc(N)c(I)cc1-c1nc2cccc(C(C)(C)C)c2[nH]1	ZINC000587178449	HJ	Annotated	Anodyne	
Cc1cncc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12	ZINC000587178542	HJ	Annotated	Anodyne	
FC(F)(F)c1ccc(-c2nc3ccnc(Cl)c3[nH]2)c(I)c1	ZINC000587178544	HJ	Annotated	Anodyne	
Cc1ccnc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc12	ZINC000587178560	HJ	Annotated	Anodyne	
FC(F)(F)c1ccc(-c2nc3c(Cl)ccnc3[nH]2)c(I)c1	ZINC000587178570	HJ	Annotated	Anodyne	
FC(F)(F)c1ccc(-c2nc3cncc(Cl)c3[nH]2)c(I)c1	ZINC000587178572	HJ	Annotated	Anodyne	
N#Cc1cccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12	ZINC000587178734	HJ	Annotated	Mild	
FC(F)(F)c1ccc(-c2nc3cc(Cl)ncc3[nH]2)c(I)c1	ZINC000587178758	HJ	Annotated	Anodyne	
Fc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1	ZINC000587178826	HJ	Annotated	Anodyne	
COc1cc(N)c(I)cc1-c1nc2cc3ccccc3cc2[nH]1	ZINC000587178842	HJ	Annotated	Anodyne	
Cc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c(C)n1	ZINC000587178858	HJ	Annotated	Anodyne	
Fc1cccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12	ZINC000587178867	HJ	Annotated	Anodyne	
Oc1cccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12	ZINC000587179050	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3cc(OC)c(Cl)cc3[nH]2)c(I)c1	ZINC000587179237	HJ	Annotated	Anodyne	
COc1cc(N)c(I)cc1-c1nc2ccc(C(C)(C)C)cc2[nH]1	ZINC000587179261	HJ	Annotated	Anodyne	
FC(F)(F)c1ccc(-c2nc3cc(Cl)cnc3[nH]2)c(I)c1	ZINC000587179408	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(I)c1	ZINC000587179421	HJ	Annotated	Anodyne	
FC(F)(F)c1ccc(-c2nc3ccc(Cl)nc3[nH]2)c(I)c1	ZINC000587179508	HJ	Annotated	Anodyne	
Cc1nccc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc12	ZINC000587179519	HJ	Annotated	Anodyne	
Oc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1	ZINC000587179554	HJ	Annotated	Anodyne	
Cc1cnc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c1	ZINC000587179564	HJ	Annotated	Anodyne	
Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2n1	ZINC000587179594	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3ccc4nc(C)ccc4c3[nH]2)c(I)c1	ZINC000587179596	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(I)c1	ZINC000587179608	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3ccc4c(c3[nH]2)CCCC4)c(I)c1	ZINC000587179652	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(I)c1	ZINC000587179654	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3cc4ccccc4cc3[nH]2)c(I)c1	ZINC000587179766	HJ	Annotated	Anodyne	
CC[C@@H](C)n1ncc(I)c1-c1nc2c(F)cc(Cl)cc2[nH]1	ZINC000587179790	HJ	Annotated	Anodyne	
CC[C@H](C)n1ncc(I)c1-c1nc2c(F)cc(Cl)cc2[nH]1	ZINC000587179793	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3cc(Cl)cc(F)c3[nH]2)c(I)c1	ZINC000587179867	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c(I)c1	ZINC000587180080	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(I)c1	ZINC000587180081	HJ	Annotated	Anodyne	
CC[C@@H](C)n1ncc(I)c1-c1nc2c(C)cc(Cl)cc2[nH]1	ZINC000587180168	HJ	Annotated	Anodyne	
CC[C@H](C)n1ncc(I)c1-c1nc2c(C)cc(Cl)cc2[nH]1	ZINC000587180171	HJ	Annotated	Anodyne	
CC[C@H](C)n1ncc(I)c1-c1nc2nc(C(C)(C)C)ccc2[nH]1	ZINC000587180179	HJ	Annotated	Anodyne	
CC[C@@H](C)n1ncc(I)c1-c1nc2nc(C(C)(C)C)ccc2[nH]1	ZINC000587180180	HJ	Annotated	Anodyne	
CC[C@@H](C)n1ncc(I)c1-c1nc2cc(F)c(Cl)cc2[nH]1	ZINC000587180570	HJ	Annotated	Anodyne	
CC[C@H](C)n1ncc(I)c1-c1nc2cc(F)c(Cl)cc2[nH]1	ZINC000587180571	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c(I)c1	ZINC000587180623	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3cc(Cl)c(F)cc3[nH]2)c(I)c1	ZINC000587180714	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(I)c1	ZINC000587180718	HJ	Annotated	Anodyne	
CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Cl)ccc2[nH]1	ZINC000587180996	HJ	Annotated	Anodyne	
CC[C@H](C)n1ncc(I)c1-c1nc2cc(Cl)ccc2[nH]1	ZINC000587180997	HJ	Annotated	Anodyne	
CC[C@@H](C)n1ncc(I)c1-c1nc2c3c(ccc2[nH]1)CCCC3	ZINC000587181024	HJ	Annotated	Anodyne	
CC[C@H](C)n1ncc(I)c1-c1nc2c3c(ccc2[nH]1)CCCC3	ZINC000587181025	HJ	Annotated	Anodyne	
C=CCc1cccc2[nH]c(-c3c(I)cnn3[C@H](C)CC)nc12	ZINC000587181211	HJ	Annotated	Mild	
C=CCc1cccc2[nH]c(-c3c(I)cnn3[C@@H](C)CC)nc12	ZINC000587181212	HJ	Annotated	Mild	
CC[C@H](C)n1ncc(I)c1-c1nc2c(cnc3ccccc32)[nH]1	ZINC000587181423	HJ	Annotated	Anodyne	
CC[C@@H](C)n1ncc(I)c1-c1nc2c(cnc3ccccc32)[nH]1	ZINC000587181424	HJ	Annotated	Anodyne	
CC[C@@H](C)n1ncc(I)c1-c1nc2cc(OC(C)C)ccc2[nH]1	ZINC000587181456	HJ	Annotated	Anodyne	
CC[C@H](C)n1ncc(I)c1-c1nc2cc(OC(C)C)ccc2[nH]1	ZINC000587181460	HJ	Annotated	Anodyne	
CC[C@H](C)n1ncc(I)c1-c1nc2c(ccc3ncccc32)[nH]1	ZINC000587181476	HJ	Annotated	Anodyne	
CC[C@@H](C)n1ncc(I)c1-c1nc2c(ccc3ncccc32)[nH]1	ZINC000587181477	HJ	Annotated	Anodyne	
CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Cl)c(C)cc2[nH]1	ZINC000587181599	HJ	Annotated	Anodyne	
CC[C@H](C)n1ncc(I)c1-c1nc2cc(Cl)c(C)cc2[nH]1	ZINC000587181600	HJ	Annotated	Anodyne	
CC[C@@H](C)n1ncc(I)c1-c1nc2cc(SC)ccc2[nH]1	ZINC000587181602	HJ	Annotated	Anodyne	
CC[C@H](C)n1ncc(I)c1-c1nc2cc(SC)ccc2[nH]1	ZINC000587181603	HJ	Annotated	Anodyne	
CC[C@@H](C)n1ncc(I)c1-c1nc2c(Cl)cccc2[nH]1	ZINC000587181604	HJ	Annotated	Anodyne	
CC[C@H](C)n1ncc(I)c1-c1nc2c(Cl)cccc2[nH]1	ZINC000587181605	HJ	Annotated	Anodyne	
CC[C@@H](C)n1ncc(I)c1-c1nc2c(C)c(Cl)ccc2[nH]1	ZINC000587181675	HJ	Annotated	Anodyne	
CC[C@H](C)n1ncc(I)c1-c1nc2c(C)c(Cl)ccc2[nH]1	ZINC000587181676	HJ	Annotated	Anodyne	
Cc1c(I)cnn1[C@H](C)c1nc2cccc(C(C)(C)C)c2[nH]1	ZINC000587181826	HJ	Annotated	Anodyne	
Cc1c(I)cnn1[C@@H](C)c1nc2cccc(C(C)(C)C)c2[nH]1	ZINC000587181827	HJ	Annotated	Anodyne	
Fc1ccc(I)cc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1	ZINC000587181961	HJ	Annotated	Anodyne	
Fc1ccc(I)cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1	ZINC000587182077	HJ	Annotated	Anodyne	
Cc1c(I)cnn1[C@H](C)c1nc2ccc(C(C)(C)C)cc2[nH]1	ZINC000587182191	HJ	Annotated	Anodyne	
Cc1c(I)cnn1[C@@H](C)c1nc2ccc(C(C)(C)C)cc2[nH]1	ZINC000587182193	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1F	ZINC000587182215	HJ	Annotated	Bother	
Fc1cc2nc(-c3cc(I)ccc3Cl)[nH]c2c(F)c1F	ZINC000587182238	HJ	Annotated	Anodyne	
COc1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1OC	ZINC000587182266	HJ	Annotated	Anodyne	
COc1cc2nc(-c3cc(I)ccc3F)[nH]c2cc1Cl	ZINC000587182290	HJ	Annotated	Anodyne	
Fc1cnc(Cl)c2[nH]c(-c3cc(Cl)cc(I)c3)nc12	ZINC000587182294	HJ	Annotated	Anodyne	
Fc1ccc(I)cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1	ZINC000587182315	HJ	Annotated	Anodyne	
FC(F)(F)c1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cn1	ZINC000587182320	HJ	Annotated	Anodyne	
Fc1ccc(I)cc1-c1nc2cc(Cl)c(Cl)nc2[nH]1	ZINC000587182375	HJ	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1	ZINC000587182377	HJ	Annotated	Anodyne	
Cc1cc2[nH]c(-c3cc(I)ccc3Cl)nc2cc1[N+](=O)[O-]	ZINC000587182534	HJ	Annotated	Bother	
Cc1cnc(Cl)c2[nH]c(-c3cc(Cl)cc(I)c3)nc12	ZINC000587182548	HJ	Annotated	Anodyne	
FC(F)(F)c1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cn1	ZINC000587182564	HJ	Annotated	Anodyne	
Cc1c(I)cnn1[C@H](C)c1nc2cc(Cl)cc(Cl)c2[nH]1	ZINC000587182595	HJ	Annotated	Anodyne	
Cc1c(I)cnn1[C@@H](C)c1nc2cc(Cl)cc(Cl)c2[nH]1	ZINC000587182596	HJ	Annotated	Anodyne	
Fc1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c(F)c1F	ZINC000587182606	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(-c3cc(I)ccc3F)[nH]c2cc1Cl	ZINC000587182655	HJ	Annotated	Bother	
Fc1ccc(I)cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1	ZINC000587182686	HJ	Annotated	Anodyne	
Cc1ccc2c(ccc3nc(-c4cc(I)ccc4F)[nH]c32)n1	ZINC000587182692	HJ	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(-c3cc(I)ccc3Cl)nc2c1	ZINC000587182722	HJ	Annotated	Anodyne	
Cc1cnc(Cl)c2[nH]c(-c3cc(I)ccc3Cl)nc12	ZINC000587182740	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1F	ZINC000587182873	HJ	Annotated	Bother	
FC(F)(F)c1cnc2[nH]c(-c3cc(I)ccc3Cl)nc2c1	ZINC000587182938	HJ	Annotated	Anodyne	
FC(F)(F)c1cnc2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1	ZINC000587183002	HJ	Annotated	Anodyne	
Fc1ccc(I)cc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1	ZINC000587183126	HJ	Annotated	Anodyne	
Fc1ccc(I)cc1-c1nc2c(Cl)cnc(Cl)c2[nH]1	ZINC000587183163	HJ	Annotated	Anodyne	
Fc1ccc(I)cc1-c1nc2cc(Cl)nc(Cl)c2[nH]1	ZINC000587183166	HJ	Annotated	Anodyne	
Fc1ccc(I)cc1-c1nc2cccc(Br)c2[nH]1	ZINC000587183290	HJ	Annotated	Anodyne	
Fc1ccc(I)cc1-c1nc2cccc(C(F)(F)F)c2[nH]1	ZINC000587183354	HJ	Annotated	Anodyne	
COc1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1F	ZINC000587183400	HJ	Annotated	Anodyne	
Cc1c(I)cnn1[C@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1	ZINC000587183452	HJ	Annotated	Anodyne	
Cc1c(I)cnn1[C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1	ZINC000587183453	HJ	Annotated	Anodyne	
Fc1cnc(Cl)c2[nH]c(-c3cc(I)ccc3Cl)nc12	ZINC000587183506	HJ	Annotated	Anodyne	
Cc1cc2[nH]c(/C=C/c3cccc(I)c3)nc2cc1[N+](=O)[O-]	ZINC000587183749	HJ	Annotated	Bother	
Cc1cc2[nH]c(/C=C\c3cccc(I)c3)nc2cc1[N+](=O)[O-]	ZINC000587183751	HJ	Annotated	Bother	
FC(F)(F)c1cnc2[nH]c(/C=C\c3cccc(I)c3)nc2c1	ZINC000587183865	HJ	Annotated	Anodyne	
FC(F)(F)c1cnc2[nH]c(/C=C/c3cccc(I)c3)nc2c1	ZINC000587183866	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1	ZINC000587183884	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1	ZINC000587183885	HJ	Annotated	Anodyne	
FC(F)(F)c1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cn1	ZINC000587183929	HJ	Annotated	Anodyne	
FC(F)(F)c1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cn1	ZINC000587183930	HJ	Annotated	Anodyne	
Fc1c(F)c(F)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1F	ZINC000587183954	HJ	Annotated	Anodyne	
Fc1c(F)c(F)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1F	ZINC000587183955	HJ	Annotated	Anodyne	
CC[C@@H](c1nc2ccc3c(c2[nH]1)CCCC3)n1cc(I)c(C)n1	ZINC000587184049	HJ	Annotated	Anodyne	
CC[C@H](c1nc2ccc3c(c2[nH]1)CCCC3)n1cc(I)c(C)n1	ZINC000587184050	HJ	Annotated	Anodyne	
CC[C@@H](c1nc2cccc(C(C)(C)C)c2[nH]1)n1cc(I)c(C)n1	ZINC000587184057	HJ	Annotated	Anodyne	
CC[C@H](c1nc2cccc(C(C)(C)C)c2[nH]1)n1cc(I)c(C)n1	ZINC000587184058	HJ	Annotated	Anodyne	
CC[C@@H](c1nc2cc3ccccc3cc2[nH]1)n1cc(I)c(C)n1	ZINC000587184073	HJ	Annotated	Anodyne	
CC[C@H](c1nc2cc3ccccc3cc2[nH]1)n1cc(I)c(C)n1	ZINC000587184074	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2c1	ZINC000587184123	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2c1	ZINC000587184125	HJ	Annotated	Anodyne	
Fc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2c(F)c1F	ZINC000587184173	HJ	Annotated	Anodyne	
Fc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2c(F)c1F	ZINC000587184174	HJ	Annotated	Anodyne	
Cc1cc2[nH]c(-c3cc(Cl)cc(I)c3)nc2cc1[N+](=O)[O-]	ZINC000587184439	HJ	Annotated	Bother	
CC[C@H](c1nc2ccc(Cl)c(C)c2[nH]1)n1cc(I)c(C)n1	ZINC000587184565	HJ	Annotated	Anodyne	
CC[C@@H](c1nc2ccc(Cl)c(C)c2[nH]1)n1cc(I)c(C)n1	ZINC000587184566	HJ	Annotated	Anodyne	
CC(C)(C)c1cccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c12	ZINC000587184919	HJ	Annotated	Anodyne	
CC(C)(C)c1cccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c12	ZINC000587184920	HJ	Annotated	Anodyne	
FC(F)(F)c1cc(Cl)c2[nH]c(-c3cncc(I)c3)nc2c1	ZINC000587184935	HJ	Annotated	Anodyne	
N[C@@H](Cc1ccc(I)cc1)c1nc2cc3ccccc3cc2[nH]1	ZINC000587184993	HJ	Annotated	Anodyne	
N[C@H](Cc1ccc(I)cc1)c1nc2cc3ccccc3cc2[nH]1	ZINC000587184995	HJ	Annotated	Anodyne	
N#Cc1cc(Cl)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1	ZINC000587185151	HJ	Annotated	Mild	
N#Cc1cc(Cl)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1	ZINC000587185152	HJ	Annotated	Mild	
FC(F)(F)c1cc2nc(-c3cncc(I)c3)[nH]c2cc1Cl	ZINC000587185360	HJ	Annotated	Anodyne	
CC[C@@H](c1nc2cc(C)c(Cl)cc2[nH]1)n1cc(I)c(C)n1	ZINC000587185429	HJ	Annotated	Anodyne	
CC[C@H](c1nc2cc(C)c(Cl)cc2[nH]1)n1cc(I)c(C)n1	ZINC000587185432	HJ	Annotated	Anodyne	
CC[C@H](c1nc2cc(Cl)cc(C)c2[nH]1)n1cc(I)c(C)n1	ZINC000587185829	HJ	Annotated	Anodyne	
CC[C@@H](c1nc2cc(Cl)cc(C)c2[nH]1)n1cc(I)c(C)n1	ZINC000587185831	HJ	Annotated	Anodyne	
CC[C@@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)n1cc(I)c(C)n1	ZINC000587186082	HJ	Annotated	Anodyne	
CC[C@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)n1cc(I)c(C)n1	ZINC000587186083	HJ	Annotated	Anodyne	
Ic1nccnc1-c1nc2c3ccccc3c3ccccc3c2[nH]1	ZINC000587186337	HJ	Annotated	Bother	
C[C@H](C#N)c1cccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1	ZINC000587186975	HJ	Annotated	Mild	
C[C@@H](C#N)c1cccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1	ZINC000587186977	HJ	Annotated	Mild	
Cc1ccc(/C=C(\C#N)c2nc3c(I)cnc(Cl)c3[nH]2)cc1	ZINC000587187323	HJ	Annotated	Reactive	
Cc1ccc(/C=C(/C#N)c2nc3c(I)cnc(Cl)c3[nH]2)cc1	ZINC000587187324	HJ	Annotated	Reactive	
CC(C)(C)c1cccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12	ZINC000587187634	HJ	Annotated	Anodyne	
CC(C)CCOc1cc2nc(-c3ccc(O)c(C#N)c3)[nH]c2cc1Br	ZINC000587187654	HJ	Annotated	Mild	
CCOC(=O)c1cc(Br)c2[nH]c(/C(C#N)=C\c3ccc(C)cc3)nc2c1	ZINC000587187859	HJ	Annotated	Reactive	
CCOC(=O)c1cc(Br)c2[nH]c(/C(C#N)=C/c3ccc(C)cc3)nc2c1	ZINC000587187860	HJ	Annotated	Reactive	
C[C@H](C#N)c1cccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1	ZINC000587187975	HJ	Annotated	Mild	
C[C@@H](C#N)c1cccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1	ZINC000587187978	HJ	Annotated	Mild	
N#C/C(=C/c1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1	ZINC000587188245	HJ	Annotated	Reactive	
N#C/C(=C\c1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1	ZINC000587188251	HJ	Annotated	Reactive	
Cc1ccc(/C=C(\C#N)c2nc3c(Br)cnc(Br)c3[nH]2)cc1	ZINC000587188401	HJ	Annotated	Reactive	
Cc1ccc(/C=C(/C#N)c2nc3c(Br)cnc(Br)c3[nH]2)cc1	ZINC000587188402	HJ	Annotated	Reactive	
Ic1cnc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cn12	ZINC000587188433	HJ	Annotated	Anodyne	
N#Cc1ccc(OCc2nc3c(Br)ccc(Br)c3[nH]2)cc1	ZINC000587189330	HJ	Annotated	Mild	
CC(C)CCOc1cc2nc(-c3cc(O)cc(C#N)c3)[nH]c2cc1Br	ZINC000587189477	HJ	Annotated	Mild	
CC(C)COc1cc2[nH]c(C=NOCc3ccccc3)nc2cc1Br	ZINC000587189500	HJ	Annotated	Mild	
Brc1cc2nc(C=NOCc3ccccc3)[nH]c2cc1Br	ZINC000587189864	HJ	Annotated	Mild	
COC(=O)c1cc2[nH]c(C=NOCc3ccccc3)nc2c(F)c1Nc1ccccc1	ZINC000587189977	HJ	Annotated	Mild	
N#Cc1ccc(OCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1	ZINC000587190154	HJ	Annotated	Mild	
CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	ZINC000587190278	HJ	Annotated	Bother	
CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	ZINC000587190281	HJ	Annotated	Bother	
FC(F)(F)Oc1cc(Br)c2nc(C=NOCc3ccccc3)[nH]c2c1	ZINC000587190493	HJ	Annotated	Mild	
FC(F)(F)Oc1cc(Br)cc2[nH]c(C=NOCc3ccccc3)nc12	ZINC000587190498	HJ	Annotated	Mild	
CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCCCO3	ZINC000587190513	HJ	Annotated	Anodyne	
CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCCCO3	ZINC000587190515	HJ	Annotated	Anodyne	
N#Cc1ccc(OCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1	ZINC000587190578	HJ	Annotated	Mild	
CCOC(=O)Cc1ccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1	ZINC000587190604	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1	ZINC000587190607	HJ	Annotated	Anodyne	
CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1	ZINC000587190647	HJ	Annotated	Anodyne	
CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1	ZINC000587190650	HJ	Annotated	Anodyne	
N#Cc1ccc(OCc2nc3cc(Br)c(Br)cc3[nH]2)cc1	ZINC000587190669	HJ	Annotated	Mild	
Brc1ccc(Br)c2[nH]c(C=NOCc3ccccc3)nc12	ZINC000587190952	HJ	Annotated	Mild	
CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccnc(Br)c2[nH]1	ZINC000587191028	HJ	Annotated	Anodyne	
CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccnc(Br)c2[nH]1	ZINC000587191030	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(COc3ccc(C#N)cc3)[nH]c2c(F)c1Nc1ccccc1	ZINC000587191114	HJ	Annotated	Mild	
FC(F)(F)Oc1cc2[nH]c(C=NOCc3ccccc3)nc2cc1Br	ZINC000587191319	HJ	Annotated	Mild	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)Oc3ccc(C#N)cc3)nc2c1	ZINC000587191425	HJ	Annotated	Mild	
CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)Oc3ccc(C#N)cc3)nc2c1	ZINC000587191438	HJ	Annotated	Mild	
CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cncc(Br)c2[nH]1	ZINC000587191609	HJ	Annotated	Anodyne	
CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cncc(Br)c2[nH]1	ZINC000587191610	HJ	Annotated	Anodyne	
CCCCOc1cc2nc(COc3ccc(C#N)cc3)[nH]c2cc1Br	ZINC000587191741	HJ	Annotated	Mild	
N#Cc1ccc(OCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1	ZINC000587191760	HJ	Annotated	Mild	
CC(C)COc1cc2nc(COc3ccc(C#N)cc3)[nH]c2cc1Br	ZINC000587191904	HJ	Annotated	Mild	
CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)ncc2[nH]1	ZINC000587191939	HJ	Annotated	Anodyne	
CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)ncc2[nH]1	ZINC000587191941	HJ	Annotated	Anodyne	
CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(Br)nc2[nH]1	ZINC000587191957	HJ	Annotated	Anodyne	
CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(Br)nc2[nH]1	ZINC000587191960	HJ	Annotated	Anodyne	
CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(Br)ccnc2[nH]1	ZINC000587192504	HJ	Annotated	Anodyne	
CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(Br)ccnc2[nH]1	ZINC000587192505	HJ	Annotated	Anodyne	
CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)cnc2[nH]1	ZINC000587192666	HJ	Annotated	Anodyne	
CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)cnc2[nH]1	ZINC000587192667	HJ	Annotated	Anodyne	
CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Br)ncc2[nH]1	ZINC000587192721	HJ	Annotated	Anodyne	
CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Br)ncc2[nH]1	ZINC000587192722	HJ	Annotated	Anodyne	
CN(CCO)c1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1	ZINC000587192989	HJ	Annotated	Clean	
O=C(O)CCN(CCc1nc2ccc(SC(F)(F)F)cc2[nH]1)Cc1ccccc1	ZINC000587193068	HJ	Annotated	Anodyne	
C#CCN(Cc1nc2c(C)nccc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000587193123	HJ	Annotated	Mild	
C#CCN(Cc1nc2cncc(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000587193194	HJ	Annotated	Mild	
Cc1cnc2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1	ZINC000587193469	HJ	Annotated	Anodyne	
C#CCN(Cc1nc2ccc(O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000587193551	HJ	Annotated	Mild	
C#CCN(Cc1nc2cc(C)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000587193823	HJ	Annotated	Mild	
C#CCN(Cc1nc2ccc(C)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000587193883	HJ	Annotated	Mild	
CN(CCc1nc2ccc(O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000587193926	HJ	Annotated	Anodyne	
C#CCN(Cc1nc2cccc(O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000587194005	HJ	Annotated	Mild	
C#CCN(Cc1nc2c(C)ccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000587194028	HJ	Annotated	Mild	
Cc1nccc2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12	ZINC000587194083	HJ	Annotated	Anodyne	
CN(CCc1nc2ccc(C#N)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000587194090	HJ	Annotated	Mild	
Cc1cncc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12	ZINC000587194100	HJ	Annotated	Anodyne	
CN(CCc1nc2cccc(O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000587194218	HJ	Annotated	Anodyne	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1	ZINC000587194269	HJ	Annotated	Anodyne	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1	ZINC000587194274	HJ	Annotated	Anodyne	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1	ZINC000587194288	HJ	Annotated	Anodyne	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1	ZINC000587194290	HJ	Annotated	Anodyne	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(SC(F)(F)F)cc2[nH]1	ZINC000587194328	HJ	Annotated	Anodyne	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(SC(F)(F)F)cc2[nH]1	ZINC000587194329	HJ	Annotated	Anodyne	
CN(CCc1nc2cc(F)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000587194330	HJ	Annotated	Anodyne	
CN(CCc1nc2cccc(C#N)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000587194372	HJ	Annotated	Mild	
Cc1nc(N(C)C)ncc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1	ZINC000587194446	HJ	Annotated	Anodyne	
Cc1ccnc2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12	ZINC000587194647	HJ	Annotated	Anodyne	
C[C@H](c1ccc(N(C)C)cc1)c1nc2c(Br)cnc(Br)c2[nH]1	ZINC000587194806	HJ	Annotated	Anodyne	
C[C@@H](c1ccc(N(C)C)cc1)c1nc2c(Br)cnc(Br)c2[nH]1	ZINC000587194810	HJ	Annotated	Anodyne	
Cc1ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1	ZINC000587194910	HJ	Annotated	Anodyne	
CC(C)CCOc1cc2[nH]c(-c3ccc(N(C)C)cn3)nc2cc1Br	ZINC000587195051	HJ	Annotated	Anodyne	
CCCCCOc1cc2nc(-c3cnc(N(C)C)nc3C)[nH]c2cc1Br	ZINC000587195142	HJ	Annotated	Anodyne	
CC1=C(c2ccc3nc(CN(Cc4ccccc4)c4ccccc4)[nH]c3c2)NNC(=O)C1	ZINC000587195288	HJ	Annotated	Anodyne	
Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1	ZINC000587195292	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12	ZINC000587195294	HJ	Annotated	Anodyne	
Cc1c(Br)ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12	ZINC000587195296	HJ	Annotated	Anodyne	
c1ccc(CN(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)c2ccccc2)cc1	ZINC000587195315	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12	ZINC000587195316	HJ	Annotated	Anodyne	
Cc1cc(Br)cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12	ZINC000587195317	HJ	Annotated	Anodyne	
COC(=O)c1ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2n1	ZINC000587195499	HJ	Annotated	Clean	
Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1	ZINC000587195577	HJ	Annotated	Anodyne	
Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1	ZINC000587195930	HJ	Annotated	Bother	
COC(=O)c1cc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2cc1OC	ZINC000587196314	HJ	Annotated	Anodyne	
Cc1cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Br	ZINC000587196325	HJ	Annotated	Anodyne	
Cc1cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Br	ZINC000587196326	HJ	Annotated	Anodyne	
CC(C)CCOc1cc2[nH]c(-c3cccnc3N(C)C)nc2cc1Br	ZINC000587196433	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1OC	ZINC000587196647	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C[C@H]1CCCO1	ZINC000587196693	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C[C@@H]1CCCO1	ZINC000587196694	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)cc(Cl)c2[nH]1)C[C@H]1CCCO1	ZINC000587196698	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)cc(Cl)c2[nH]1)C[C@@H]1CCCO1	ZINC000587196699	HJ	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2cn1	ZINC000587196742	HJ	Annotated	Clean	
Cc1cc(Br)c2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1	ZINC000587196800	HJ	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1	ZINC000587196801	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1[N+](=O)[O-]	ZINC000587196890	HJ	Annotated	Bother	
CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)c3ccc(N(C)C)cc3)nc2c1	ZINC000587196983	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)c3ccc(N(C)C)cc3)nc2c1	ZINC000587196984	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2c1	ZINC000587197257	HJ	Annotated	Anodyne	
CN(C)C(=O)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1	ZINC000587197375	HJ	Annotated	Reactive	
CCOC(=O)c1ccc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2c1	ZINC000587197544	HJ	Annotated	Anodyne	
CC(C)[C@@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)N(C)C(=O)OCc1ccccc1	ZINC000587197596	HJ	Annotated	Anodyne	
CC(C)[C@H](c1nc2c(Cl)c(Br)cnc2[nH]1)N(C)C(=O)OC(C)(C)C	ZINC000587197748	HJ	Annotated	Anodyne	
CC(C)[C@H](c1nc2cc(C#N)cc(Br)c2[nH]1)N(C)C(=O)OC(C)(C)C	ZINC000587197756	HJ	Annotated	Mild	
Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1	ZINC000587197882	HJ	Annotated	Anodyne	
CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1	ZINC000587197941	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N(Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C[C@H]1CCCO1	ZINC000587197984	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N(Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C[C@@H]1CCCO1	ZINC000587197986	HJ	Annotated	Anodyne	
CC(C)[C@@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)N(C)C(=O)OCc1ccccc1	ZINC000587198240	HJ	Annotated	Anodyne	
CC(C)[C@H](c1nc2c(Br)cnc(Cl)c2[nH]1)N(C)C(=O)OC(C)(C)C	ZINC000587198264	HJ	Annotated	Anodyne	
CC(C)[C@@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)N(C)C(=O)OCc1ccccc1	ZINC000587198287	HJ	Annotated	Bother	
CC(C)[C@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)N(C)C(=O)OC(C)(C)C	ZINC000587198339	HJ	Annotated	Anodyne	
CC(C)[C@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)N(C)C(=O)OC(C)(C)C	ZINC000587198346	HJ	Annotated	Anodyne	
CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1	ZINC000587198374	HJ	Annotated	Anodyne	
CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1	ZINC000587198444	HJ	Annotated	Anodyne	
CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Cl)c(Cl)nc2[nH]1	ZINC000587198452	HJ	Annotated	Anodyne	
CC(C)[C@@H](c1nc2cc3c(cc2[nH]1)OCCCO3)N(C)C(=O)OCc1ccccc1	ZINC000587198505	HJ	Annotated	Anodyne	
CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1	ZINC000587198589	HJ	Annotated	Anodyne	
CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1	ZINC000587198632	HJ	Annotated	Anodyne	
CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cccc(Br)c2[nH]1	ZINC000587198677	HJ	Annotated	Anodyne	
CC(C)Oc1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c1	ZINC000587198838	HJ	Annotated	Anodyne	
Cc1ccc2c(ccc3nc(-c4ccccc4N(C)C(=O)c4ccccc4N)[nH]c32)n1	ZINC000587198870	HJ	Annotated	Anodyne	
CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(C#N)cc(Cl)c2[nH]1	ZINC000587198886	HJ	Annotated	Mild	
CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1	ZINC000587199055	HJ	Annotated	Anodyne	
C[C@@H](c1nc2ccnc(O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000587199746	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(Br)cc3[nH]2)c1	ZINC000587200321	HJ	Annotated	Anodyne	
COc1ccc(NC(C)(C)c2nc3cccc(I)c3[nH]2)cc1	ZINC000587201016	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587201032	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cccc(Br)c3[nH]2)c1	ZINC000587201219	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc12	ZINC000587201485	HJ	Annotated	Anodyne	
COc1ccc(NC(C)(C)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1	ZINC000587201500	HJ	Annotated	Bother	
COC(=O)c1cc(Cl)c2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc2c1	ZINC000587201542	HJ	Annotated	Anodyne	
COc1ccc(NC(C)(C)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1	ZINC000587201594	HJ	Annotated	Clean	
COc1ccc(NC(C)(C)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1	ZINC000587201596	HJ	Annotated	Bother	
COc1ccc(NC(C)(C)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1	ZINC000587201638	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	ZINC000587201939	HJ	Annotated	Anodyne	
Cc1ccc2c(ccc3nc(-c4cccc(C(=N)NC(=O)OC(C)(C)C)c4)[nH]c32)n1	ZINC000587202238	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(C#N)cc(Br)c2[nH]1	ZINC000587202282	HJ	Annotated	Mild	
CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1	ZINC000587202284	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)cc(F)c2[nH]1)C(C)(C)C	ZINC000587202587	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)cc(F)c2[nH]1)C(C)(C)C	ZINC000587202588	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc2cc1Br	ZINC000587202601	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1	ZINC000587203224	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1	ZINC000587203266	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1	ZINC000587203939	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1	ZINC000587203957	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2cc1Br	ZINC000587204051	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2cc1Br	ZINC000587204052	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1	ZINC000587204448	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(Br)c(O)c2[nH]1	ZINC000587204495	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1	ZINC000587204541	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Br)c(F)c2[nH]1)C(C)(C)C	ZINC000587204812	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Br)c(F)c2[nH]1)C(C)(C)C	ZINC000587204813	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Br)c(O)c2[nH]1)C(C)(C)C	ZINC000587204820	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Br)c(O)c2[nH]1)C(C)(C)C	ZINC000587204821	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(F)cc(Br)c2[nH]1)C(C)(C)C	ZINC000587205096	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(F)cc(Br)c2[nH]1)C(C)(C)C	ZINC000587205097	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2cc(Br)c(C)c(C)c2[nH]1)c1ccc(C)cc1	ZINC000587205592	HJ	Annotated	Anodyne	
CC(=O)N[C@H](Cc1nc2cc(Br)c(C)c(C)c2[nH]1)c1ccc(C)cc1	ZINC000587205594	HJ	Annotated	Anodyne	
O=C(O)CCc1nc2cccc3c2c(c1CC(=O)c1ccccc1)-c1ccccc1C3=O	ZINC000587205678	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(F)c(Br)c2[nH]1)C(C)(C)C	ZINC000587205804	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(F)c(Br)c2[nH]1)C(C)(C)C	ZINC000587205805	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)c(F)cc2[nH]1)C(C)(C)C	ZINC000587205819	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)c(F)cc2[nH]1)C(C)(C)C	ZINC000587205820	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(C)(C)C	ZINC000587206205	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(C)(C)C	ZINC000587206207	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)C(C)(C)C	ZINC000587206212	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)C(C)(C)C	ZINC000587206213	HJ	Annotated	Anodyne	
Cc1ccc(C(=O)Cc2nc3cccc4c3c(c2CCO)-c2ccccc2C4=O)cc1	ZINC000587206742	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@](C(=O)O)(c1ccccc1)C3	ZINC000587206747	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@](C(=O)O)(c1ccccc1)C3	ZINC000587206748	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(C)cc1	ZINC000587206804	HJ	Annotated	Anodyne	
CC(=O)N[C@H](Cc1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(C)cc1	ZINC000587206806	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc12	ZINC000587206893	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc12	ZINC000587206895	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)C(C)(C)C	ZINC000587206972	HJ	Annotated	Anodyne	
O=C(O)[C@]1(c2ccc(Br)cc2)CCc2nc3cccc4c3c(c2C1)CC4	ZINC000587206973	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)C(C)(C)C	ZINC000587206975	HJ	Annotated	Anodyne	
O=C(O)[C@@]1(c2ccc(Br)cc2)CCc2nc3cccc4c3c(c2C1)CC4	ZINC000587206989	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc(C)cc1	ZINC000587207068	HJ	Annotated	Anodyne	
CC(=O)N[C@H](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc(C)cc1	ZINC000587207072	HJ	Annotated	Anodyne	
COC(=O)[C@]1(c2ccc(Br)cc2)CCc2nc3cccc4c3c(c2C1)CC4	ZINC000587207226	HJ	Annotated	Anodyne	
COC(=O)[C@@]1(c2ccc(Br)cc2)CCc2nc3cccc4c3c(c2C1)CC4	ZINC000587207227	HJ	Annotated	Anodyne	
Cc1c(-c2cc3c4c(cccc4n2)CC3)nnn1Cc1ccc(Br)cc1	ZINC000587207487	HJ	Annotated	Anodyne	
COC(=O)[C@]1(c2cccc(Br)c2)CCc2nc3cccc4c3c(c2C1)CC4	ZINC000587207668	HJ	Annotated	Anodyne	
COC(=O)[C@@]1(c2cccc(Br)c2)CCc2nc3cccc4c3c(c2C1)CC4	ZINC000587207669	HJ	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(C)cc1	ZINC000587207748	HJ	Annotated	Anodyne	
CC(=O)N[C@H](Cc1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(C)cc1	ZINC000587207749	HJ	Annotated	Anodyne	
O=C(O)Cc1c(CCC(=O)c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O	ZINC000587207848	HJ	Annotated	Anodyne	
CC(=O)[C@@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccccc1C(=O)O	ZINC000587207973	HJ	Annotated	Anodyne	
CC(=O)[C@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccccc1C(=O)O	ZINC000587207977	HJ	Annotated	Anodyne	
CCS(=O)(=O)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1	ZINC000587208559	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@](O)(c1ccc2c(c1)OCO2)C3	ZINC000587208670	HJ	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@](O)(c1ccc2c(c1)OCO2)C3	ZINC000587208671	HJ	Annotated	Anodyne	
COCCCNc1nc(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)s1	ZINC000587208712	HJ	Annotated	Anodyne	
COc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1S(C)(=O)=O	ZINC000587208973	HJ	Annotated	Anodyne	
O=C(O)Cc1c(-c2ccc3c(c2)OCCO3)nc2cccc3c2c1-c1ccccc1C3=O	ZINC000587209151	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1Cc2c(nc3cccc4c3c2CC4)[C@@H](Br)C1	ZINC000587209235	HJ	Annotated	Reactive	
CC(C)(C)OC(=O)N[C@@H]1Cc2c(nc3cccc4c3c2CC4)[C@H](Br)C1	ZINC000587209236	HJ	Annotated	Reactive	
CC(C)(C)OC(=O)N[C@H]1Cc2c(nc3cccc4c3c2CC4)[C@H](Br)C1	ZINC000587209237	HJ	Annotated	Reactive	
CC(C)(C)OC(=O)N[C@H]1Cc2c(nc3cccc4c3c2CC4)[C@@H](Br)C1	ZINC000587209238	HJ	Annotated	Reactive	
Cc1ccc2c(c1)-c1nc3cccc4c3c(c1CCS2(=O)=O)-c1ccccc1C4=O	ZINC000587209354	HJ	Annotated	Anodyne	
O=C(c1cc(-c2cc3c4c(cccc4n2)CC3)c([N+](=O)[O-])[nH]1)C(Cl)(Cl)Cl	ZINC000587209484	HJ	Annotated	Bother	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(S(=O)(=O)Cl)ccc1C3	ZINC000587209508	HJ	Annotated	Unstable	
COc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1OC[C@@H]1CO1	ZINC000587209523	HJ	Annotated	Anodyne	
COc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1OC[C@H]1CO1	ZINC000587209525	HJ	Annotated	Anodyne	
O=[N+]([O-])c1c(Cl)c(Cl)c(-c2cc3c4c(cccc4n2)CC3)c2c1OCCO2	ZINC000587209835	HJ	Annotated	Bother	
O=C1Cc2nc3cccc4c3c(c2[C@H](c2ccc3c(c2)OCO3)C1)-c1ccccc1C4=O	ZINC000587209894	HJ	Annotated	Anodyne	
O=C1Cc2nc3cccc4c3c(c2[C@@H](c2ccc3c(c2)OCO3)C1)-c1ccccc1C4=O	ZINC000587209895	HJ	Annotated	Anodyne	
C[C@H](NC(=O)OC(C)(C)C)c1nc2cccc3c2c(c1CCCC1OCCO1)CC3	ZINC000587210768	HJ	Annotated	Anodyne	
C[C@@H](NC(=O)OC(C)(C)C)c1nc2cccc3c2c(c1CCCC1OCCO1)CC3	ZINC000587210769	HJ	Annotated	Anodyne	
O=C1COc2c(-c3cc4c5c(cccc5n3)CC4)ccc(OCc3ccccc3)c2N1	ZINC000587211284	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CC2(C1)OCc1cc(-c3cc4c5c(cccc5n3)CC4)ccc12	ZINC000587212349	HJ	Annotated	Anodyne	
O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1	ZINC000587212436	HJ	Annotated	Anodyne	
O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1	ZINC000587212437	HJ	Annotated	Anodyne	
O=C(Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1)[C@H]1CCCC[C@H]1C(=O)O	ZINC000587212438	HJ	Annotated	Anodyne	
O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1	ZINC000587212439	HJ	Annotated	Anodyne	
Cc1nc(Cl)c(I)cc1-c1cc2c3c(cccc3n1)CC2	ZINC000587213366	HJ	Annotated	Anodyne	
COc1ccc2c(c1I)CCc1c-2nc2cccc3c2c1CC3	ZINC000587213412	HJ	Annotated	Anodyne	
O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H](Cc1cc2c3c(cccc3n1)CC2)c1ccco1	ZINC000587215353	HJ	Annotated	Anodyne	
O=C1Oc2ccccc2C(=O)[C@@H]1[C@H](Cc1cc2c3c(cccc3n1)CC2)c1ccco1	ZINC000587215361	HJ	Annotated	Anodyne	
O=C1Oc2ccccc2C(=O)[C@H]1[C@H](Cc1cc2c3c(cccc3n1)CC2)c1ccco1	ZINC000587215363	HJ	Annotated	Anodyne	
O=C1Oc2ccccc2C(=O)[C@H]1[C@@H](Cc1cc2c3c(cccc3n1)CC2)c1ccco1	ZINC000587215365	HJ	Annotated	Anodyne	
C[C@]12C=CC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)c3nc4cccc5c4c(c3C[C@@H]12)CC5	ZINC000587215701	HJ	Annotated	Mild	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@H]1CC[C@@H]2O	ZINC000587215875	HJ	Annotated	Anodyne	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@H]1CC[C@H]2O	ZINC000587215876	HJ	Annotated	Anodyne	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CC[C@H]2O	ZINC000587215877	HJ	Annotated	Anodyne	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CC[C@@H]2O	ZINC000587215878	HJ	Annotated	Anodyne	
C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1[C@@H](O)C[C@@H]2O	ZINC000587215943	HJ	Annotated	Anodyne	
Cc1nc2cccc3c2c(c1[C@H](c1ccco1)[C@H]1C(=O)Oc2ccccc2C1=O)CC3	ZINC000587216076	HJ	Annotated	Anodyne	
Cc1nc2cccc3c2c(c1[C@@H](c1ccco1)[C@H]1C(=O)Oc2ccccc2C1=O)CC3	ZINC000587216077	HJ	Annotated	Anodyne	
Cc1nc2cccc3c2c(c1[C@@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2C1=O)CC3	ZINC000587216078	HJ	Annotated	Anodyne	
Cc1nc2cccc3c2c(c1[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2C1=O)CC3	ZINC000587216079	HJ	Annotated	Anodyne	
CCc1c(-c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)nc2cccc3c2c1CC3	ZINC000587216524	HJ	Annotated	Anodyne	
CCOC(=O)c1c(NC(=O)CCl)sc(-c2cc3c4c(cccc4n2)CC3)c1C	ZINC000587216548	HJ	Annotated	Reactive	
O=S(=O)(Cl)c1ccc(Br)c(-c2cc3c4c(cccc4n2)CC3)c1	ZINC000587216905	HJ	Annotated	Unstable	
O=C(N[C@H](c1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1)c1ccccc1	ZINC000587217290	HJ	Annotated	Anodyne	
O=C(N[C@@H](c1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1)c1ccccc1	ZINC000587217292	HJ	Annotated	Anodyne	
O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)c(F)cc2[nH]1)c1ccccc1	ZINC000587217305	HJ	Annotated	Anodyne	
O=C(N[C@H](c1ccccc1)c1nc2cc(Br)c(F)cc2[nH]1)c1ccccc1	ZINC000587217306	HJ	Annotated	Anodyne	
O=C(N[C@@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccccc1	ZINC000587217350	HJ	Annotated	Bother	
O=C(N[C@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccccc1	ZINC000587217355	HJ	Annotated	Bother	
O=C(N[C@@H](c1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccccc1	ZINC000587217728	HJ	Annotated	Anodyne	
O=C(N[C@H](c1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccccc1	ZINC000587217729	HJ	Annotated	Anodyne	
O=C(N[C@@H](c1ccccc1)c1nc2ccc(Br)cc2[nH]1)c1ccccc1	ZINC000587217740	HJ	Annotated	Anodyne	
O=C(N[C@H](c1ccccc1)c1nc2ccc(Br)cc2[nH]1)c1ccccc1	ZINC000587217742	HJ	Annotated	Anodyne	
N#Cc1cc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1C(F)(F)F	ZINC000587218278	HJ	Annotated	Mild	
N#Cc1cc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1C(F)(F)F	ZINC000587218279	HJ	Annotated	Mild	
O=C(N[C@@H](c1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1)c1ccccc1	ZINC000587218608	HJ	Annotated	Anodyne	
O=C(N[C@H](c1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1)c1ccccc1	ZINC000587218609	HJ	Annotated	Anodyne	
O=C(N[C@H](c1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccccc1	ZINC000587218646	HJ	Annotated	Anodyne	
O=C(N[C@@H](c1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccccc1	ZINC000587218647	HJ	Annotated	Anodyne	
O=C(N[C@H](c1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1)c1ccccc1	ZINC000587219185	HJ	Annotated	Anodyne	
O=C(N[C@@H](c1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1)c1ccccc1	ZINC000587219186	HJ	Annotated	Anodyne	
O=C(N[C@H](c1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1)c1ccccc1	ZINC000587219594	HJ	Annotated	Anodyne	
O=C(N[C@@H](c1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1)c1ccccc1	ZINC000587219596	HJ	Annotated	Anodyne	
Cc1nc2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc2cc1Br	ZINC000587220392	HJ	Annotated	Anodyne	
Cc1nc2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc2cc1Br	ZINC000587220393	HJ	Annotated	Anodyne	
O=C(N[C@H](c1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1)c1ccccc1	ZINC000587221215	HJ	Annotated	Anodyne	
O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1)c1ccccc1	ZINC000587221219	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1	ZINC000587221296	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1	ZINC000587221299	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc12	ZINC000587221889	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc12	ZINC000587221891	HJ	Annotated	Anodyne	
O=C(N[C@H](c1ccccc1)c1nc2cccc(Br)c2[nH]1)c1ccccc1	ZINC000587222514	HJ	Annotated	Anodyne	
O=C(N[C@@H](c1ccccc1)c1nc2cccc(Br)c2[nH]1)c1ccccc1	ZINC000587222525	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C1CCCC1	ZINC000587223425	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C1CCCC1	ZINC000587223426	HJ	Annotated	Anodyne	
C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(Sc3ccccc3)cc2[nH]1	ZINC000587223798	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(Sc3ccccc3)cc2[nH]1	ZINC000587223800	HJ	Annotated	Anodyne	
CCCCCOc1cc2nc([C@H](NC)c3cccnc3)[nH]c2cc1Br	ZINC000587225344	HJ	Annotated	Anodyne	
CCCCCOc1cc2nc([C@@H](NC)c3cccnc3)[nH]c2cc1Br	ZINC000587225349	HJ	Annotated	Anodyne	
CN[C@@H](c1cccnc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1	ZINC000587225895	HJ	Annotated	Anodyne	
CN[C@H](c1cccnc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1	ZINC000587225901	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc12	ZINC000587226599	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc12	ZINC000587226601	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c1	ZINC000587226824	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c1	ZINC000587226825	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](c1nc2c(F)cnc(Br)c2[nH]1)C1CCCC1	ZINC000587226836	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](c1nc2c(F)cnc(Br)c2[nH]1)C1CCCC1	ZINC000587226837	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(Br)c(O)c2[nH]1)C1CCCC1	ZINC000587226866	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](c1nc2ccc(Br)c(O)c2[nH]1)C1CCCC1	ZINC000587226867	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](c1nc2cc(C#N)cc(Br)c2[nH]1)C1CCCC1	ZINC000587227510	HJ	Annotated	Mild	
CC(C)(C)OC(=O)N[C@@H](c1nc2cc(C#N)cc(Br)c2[nH]1)C1CCCC1	ZINC000587227511	HJ	Annotated	Mild	
Cc1nc2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2cc1Br	ZINC000587227533	HJ	Annotated	Anodyne	
Cc1nc2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2cc1Br	ZINC000587227534	HJ	Annotated	Anodyne	
CCCCCCCC(=O)NCCCc1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587227842	HJ	Annotated	Mild	
CCCCCCCC(=O)NCCCc1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000587227855	HJ	Annotated	Mild	
COc1ccc(C)cc1NCCCc1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000587227930	HJ	Annotated	Anodyne	
COc1ccc(C)cc1NCCCc1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587227954	HJ	Annotated	Anodyne	
COc1ccc(C)cc1NCCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	ZINC000587228585	HJ	Annotated	Bother	
CCCCCCCC(=O)NCCCc1nc2cc(C#N)cc(Br)c2[nH]1	ZINC000587228635	HJ	Annotated	Mild	
COc1ccc(C)cc1NCCCc1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000587228713	HJ	Annotated	Anodyne	
COc1ccc(C)cc1NCCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	ZINC000587228716	HJ	Annotated	Bother	
COc1ccc(C)cc1NCCCc1nc2cccc(I)c2[nH]1	ZINC000587228792	HJ	Annotated	Anodyne	
COc1ccc(C)cc1NCCCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	ZINC000587229094	HJ	Annotated	Anodyne	
COc1ccc(C)cc1NCCCc1nc2ccc(I)cc2[nH]1	ZINC000587229186	HJ	Annotated	Anodyne	
CC(=O)c1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2c1	ZINC000587229268	HJ	Annotated	Anodyne	
COc1ccc(C)cc1NCCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000587229367	HJ	Annotated	Anodyne	
O=C(O)c1cc(Br)cc2nc(-c3cccnc3NCc3ccccc3)[nH]c12	ZINC000587229428	HJ	Annotated	Anodyne	
COc1cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2cc1OC	ZINC000587229565	HJ	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3cccnc3NCc3ccccc3)nc2c1	ZINC000587229610	HJ	Annotated	Mild	
COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1	ZINC000587229619	HJ	Annotated	Anodyne	
COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1	ZINC000587229621	HJ	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1	ZINC000587229622	HJ	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1	ZINC000587229623	HJ	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1	ZINC000587229857	HJ	Annotated	Bother	
COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1	ZINC000587229858	HJ	Annotated	Bother	
COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1	ZINC000587229861	HJ	Annotated	Bother	
COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1	ZINC000587229863	HJ	Annotated	Bother	
CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(F)c(F)c3[nH]2)c(C2CC2)n1	ZINC000587229889	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(F)cc(F)c3[nH]2)c(C2CC2)n1	ZINC000587229971	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)c(C2CC2)n1	ZINC000587229994	HJ	Annotated	Anodyne	
N#Cc1cccnc1NCc1cccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1	ZINC000587230086	HJ	Annotated	Mild	
Cc1cc(F)c2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc2c1	ZINC000587230111	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c(C2CC2)n1	ZINC000587230279	HJ	Annotated	Anodyne	
FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cccnc3NCc3ccccc3)nc1-2	ZINC000587230285	HJ	Annotated	Anodyne	
Cc1c(F)ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c12	ZINC000587230294	HJ	Annotated	Anodyne	
O=[N+]([O-])c1c(Br)ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c12	ZINC000587230346	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(Br)cc2nc(-c3cccnc3NCc3ccccc3)[nH]c12	ZINC000587230389	HJ	Annotated	Bother	
CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c(C2CC2)n1	ZINC000587230392	HJ	Annotated	Anodyne	
COc1cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2cc1F	ZINC000587230404	HJ	Annotated	Anodyne	
N#Cc1cccnc1NCc1cccc(-c2nc3cccc(Br)c3[nH]2)c1	ZINC000587230436	HJ	Annotated	Mild	
Cc1cnc(Cl)c2[nH]c(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)nc12	ZINC000587230654	HJ	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)nc2c1	ZINC000587230725	HJ	Annotated	Anodyne	
N#Cc1cccnc1NCc1cccc(-c2nc3ccc(Br)cc3[nH]2)c1	ZINC000587230750	HJ	Annotated	Mild	
O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(F)cc(F)c2[nH]1	ZINC000587230766	HJ	Annotated	Anodyne	
O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccnc(Cl)c2[nH]1	ZINC000587230822	HJ	Annotated	Anodyne	
N#Cc1cc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c2cc1C(F)(F)F	ZINC000587230844	HJ	Annotated	Mild	
Cc1cnc(Cl)c2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc12	ZINC000587231022	HJ	Annotated	Anodyne	
O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(Cl)nc2[nH]1	ZINC000587231083	HJ	Annotated	Anodyne	
N#Cc1cccnc1NCc1cccc(-c2nc3ccc(Br)c(O)c3[nH]2)c1	ZINC000587231331	HJ	Annotated	Mild	
N#Cc1cc(Br)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1	ZINC000587231365	HJ	Annotated	Mild	
Cc1nc2[nH]c(-c3cccc(CNc4ncccc4C#N)c3)nc2cc1Br	ZINC000587231448	HJ	Annotated	Mild	
Clc1ncc(Br)c2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12	ZINC000587231453	HJ	Annotated	Anodyne	
O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(F)c(F)c2[nH]1	ZINC000587231698	HJ	Annotated	Anodyne	
FC(F)(F)c1nc(Cl)nc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c12	ZINC000587231701	HJ	Annotated	Anodyne	
CNC(=O)c1cccc(-c2cccc(Cc3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2)c1	ZINC000587232178	HJ	Annotated	Bother	
Cc1cc2[nH]c(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)nc2cc1[N+](=O)[O-]	ZINC000587232205	HJ	Annotated	Bother	
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(C#N)cc(Br)c2[nH]1	ZINC000587232734	HJ	Annotated	Mild	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000587232927	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1	ZINC000587232936	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000587233014	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1	ZINC000587233024	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc2c1	ZINC000587233186	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	ZINC000587233218	HJ	Annotated	Anodyne	
Cc1nc2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc2cc1Br	ZINC000587233246	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	ZINC000587233250	HJ	Annotated	Anodyne	
CNc1cccc(-c2cccc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c2)c1	ZINC000587233283	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000587233290	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587233302	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000587233320	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587233341	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000587233350	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000587233378	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(Br)c(O)c2[nH]1	ZINC000587233516	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000587233575	HJ	Annotated	Bother	
Cc1c(Br)cnc2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc12	ZINC000587233591	HJ	Annotated	Anodyne	
CNc1cccc(-c2cccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)c1	ZINC000587233621	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000587233684	HJ	Annotated	Bother	
CCCOc1cc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2cc1Br	ZINC000587233723	HJ	Annotated	Anodyne	
CC(=O)NC1(c2nc3cc(OC(C)C)c(Br)cc3[nH]2)CCC(C)CC1	ZINC000587233749	HJ	Annotated	Anodyne	
CC(=O)NC1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CCC(C)CC1	ZINC000587233794	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000587233916	HJ	Annotated	Bother	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000587234083	HJ	Annotated	Bother	
CC(=O)NC1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CCC(C)CC1	ZINC000587234104	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc(C4(NC(C)=O)CCC(C)CC4)[nH]c3c2)cc1	ZINC000587234547	HJ	Annotated	Anodyne	
CC(=O)NC1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CCC(C)CC1	ZINC000587234599	HJ	Annotated	Anodyne	
CC(=O)NC1(c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)CCC(C)CC1	ZINC000587234623	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CCC(=O)CC1	ZINC000587234675	HJ	Annotated	Anodyne	
CC(=O)NC1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CCC(C)CC1	ZINC000587234778	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CCC(=O)CC1	ZINC000587234870	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	ZINC000587235051	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587235186	HJ	Annotated	Anodyne	
CCCCCCCCOc1cc2nc([C@H]3C[C@@H]3C(=O)NC)[nH]c2cc1Br	ZINC000587235840	HJ	Annotated	Mild	
CCCCCCCCOc1cc2nc([C@@H]3C[C@@H]3C(=O)NC)[nH]c2cc1Br	ZINC000587235841	HJ	Annotated	Mild	
CCCCCCCCOc1cc2nc([C@H]3C[C@H]3C(=O)NC)[nH]c2cc1Br	ZINC000587235842	HJ	Annotated	Mild	
CCCCCCCCOc1cc2nc([C@@H]3C[C@H]3C(=O)NC)[nH]c2cc1Br	ZINC000587235843	HJ	Annotated	Mild	
CNC(=O)[C@H]1C[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1	ZINC000587236727	HJ	Annotated	Reactive	
CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1	ZINC000587236728	HJ	Annotated	Reactive	
CNC(=O)[C@@H]1C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1	ZINC000587236729	HJ	Annotated	Reactive	
CNC(=O)[C@H]1C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1	ZINC000587236730	HJ	Annotated	Reactive	
Cc1ccc(NC2(c3nc4cc(I)cnc4[nH]3)CCCC2)cc1	ZINC000587236863	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCC(O)CC1	ZINC000587237184	HJ	Annotated	Anodyne	
Cc1ccc(NC2(c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)CCCC2)cc1	ZINC000587237215	HJ	Annotated	Anodyne	
CC1=C(c2ccc3nc(C4(Nc5ccc(C)cc5)CCCC4)[nH]c3c2)NNC(=O)C1	ZINC000587237528	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC1(c2nc3cc(Cl)cc(Cl)c3[nH]2)CCC(O)CC1	ZINC000587237773	HJ	Annotated	Anodyne	
Cc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1F	ZINC000587238286	HJ	Annotated	Anodyne	
Cc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1F	ZINC000587238287	HJ	Annotated	Anodyne	
Cc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1F	ZINC000587238288	HJ	Annotated	Anodyne	
Cc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1F	ZINC000587238289	HJ	Annotated	Anodyne	
Cc1cc(F)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)nc2c1	ZINC000587238326	HJ	Annotated	Anodyne	
Cc1cc(F)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)nc2c1	ZINC000587238327	HJ	Annotated	Anodyne	
Cc1cc(F)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)nc2c1	ZINC000587238329	HJ	Annotated	Anodyne	
Cc1cc(F)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)nc2c1	ZINC000587238330	HJ	Annotated	Anodyne	
Cc1c(NC(N)=O)cccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1	ZINC000587238382	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(Cl)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C	ZINC000587238392	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(Cl)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C	ZINC000587238395	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(Cl)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000587238397	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(Cl)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C	ZINC000587238398	HJ	Annotated	Anodyne	
Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3nc(Br)c[nH]c-3n2)c1	ZINC000587238429	HJ	Annotated	Anodyne	
Cc1c(NC(N)=O)cccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1	ZINC000587238594	HJ	Annotated	Anodyne	
CSc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1	ZINC000587238784	HJ	Annotated	Anodyne	
CSc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1	ZINC000587238785	HJ	Annotated	Anodyne	
CSc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2c1	ZINC000587238786	HJ	Annotated	Anodyne	
CSc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2c1	ZINC000587238787	HJ	Annotated	Anodyne	
C=CCc1cccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c12	ZINC000587238809	HJ	Annotated	Mild	
C=CCc1cccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c12	ZINC000587238810	HJ	Annotated	Mild	
C=CCc1cccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c12	ZINC000587238811	HJ	Annotated	Mild	
C=CCc1cccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c12	ZINC000587238812	HJ	Annotated	Mild	
CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Cl)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C	ZINC000587238879	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Cl)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C	ZINC000587238880	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Cl)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C	ZINC000587238881	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Cl)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000587238882	HJ	Annotated	Anodyne	
CCCOc1cc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2cc1Br	ZINC000587239317	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2c1OC	ZINC000587239343	HJ	Annotated	Anodyne	
Cc1c(NC(N)=O)cccc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1	ZINC000587239406	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3cnc4ccccc4c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C	ZINC000587239588	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3cnc4ccccc4c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C	ZINC000587239590	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3cnc4ccccc4c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C	ZINC000587239591	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3cnc4ccccc4c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000587239593	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)c(F)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000587239641	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)c(F)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C	ZINC000587239642	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)c(F)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C	ZINC000587239643	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)c(F)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C	ZINC000587239644	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1C	ZINC000587239712	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cc(F)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C	ZINC000587239727	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cc(F)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C	ZINC000587239728	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cc(F)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000587239729	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cc(F)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C	ZINC000587239731	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc2c1	ZINC000587239905	HJ	Annotated	Anodyne	
Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c(O)c1	ZINC000587239925	HJ	Annotated	Anodyne	
Cc1c(F)ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c12	ZINC000587239975	HJ	Annotated	Anodyne	
Cc1c(F)ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c12	ZINC000587239976	HJ	Annotated	Anodyne	
Cc1c(F)ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c12	ZINC000587239977	HJ	Annotated	Anodyne	
Cc1c(F)ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c12	ZINC000587239979	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(Br)c(O)c3[nH]2)c1	ZINC000587240006	HJ	Annotated	Anodyne	
Cc1c(NC(N)=O)cccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1	ZINC000587240189	HJ	Annotated	Anodyne	
Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c(O)c1	ZINC000587240240	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3ccc4ncccc4c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C	ZINC000587240322	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3ccc4ncccc4c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C	ZINC000587240323	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3ccc4ncccc4c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C	ZINC000587240327	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@]1(c2nc3ccc4ncccc4c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000587240330	HJ	Annotated	Anodyne	
COc1ccccc1Nc1ccccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	ZINC000587240372	HJ	Annotated	Bother	
COC(=O)c1cc2[nH]c(-c3ccccc3Nc3ccccc3OC)nc2cc1OC	ZINC000587240687	HJ	Annotated	Anodyne	
Cc1c(NC(N)=O)cccc1-c1nc2c(Br)ccc(Br)c2[nH]1	ZINC000587240844	HJ	Annotated	Anodyne	
Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc4ncccc4c3[nH]2)c(O)c1	ZINC000587240847	HJ	Annotated	Anodyne	
CCCOc1cc2[nH]c(C(=O)Nc3ccccc3CC)nc2cc1Br	ZINC000587240952	HJ	Annotated	Anodyne	
COc1ccccc1Nc1ccccc1-c1nc2ccc(OCCN(C)C)cc2[nH]1	ZINC000587240953	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3ccccc3Nc3ccccc3OC)[nH]c2c1OC	ZINC000587241004	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc2cc1Br	ZINC000587241151	HJ	Annotated	Anodyne	
Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1	ZINC000587241197	HJ	Annotated	Bother	
CCc1ccccc1NC(=O)c1nc2c(Br)ccc(Br)c2[nH]1	ZINC000587241313	HJ	Annotated	Anodyne	
Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(C)cnc(Cl)c3[nH]2)c(O)c1	ZINC000587241330	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c(F)cnc(Br)c3[nH]2)c1	ZINC000587241388	HJ	Annotated	Anodyne	
CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1	ZINC000587241394	HJ	Annotated	Bother	
CCc1ccccc1NC(=O)c1nc2cc(Br)c(OC(C)C)cc2[nH]1	ZINC000587241587	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1	ZINC000587241690	HJ	Annotated	Anodyne	
CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1	ZINC000587241735	HJ	Annotated	Clean	
CC(=O)Nc1cccc(Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1	ZINC000587241764	HJ	Annotated	Anodyne	
CC(=O)Nc1cccc(Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1	ZINC000587241862	HJ	Annotated	Anodyne	
CC(=O)Nc1cccc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1	ZINC000587242159	HJ	Annotated	Anodyne	
CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1	ZINC000587242261	HJ	Annotated	Bother	
CC(=O)Nc1cccc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1	ZINC000587242429	HJ	Annotated	Anodyne	
CC(C)(C)CC(=O)Nc1cccc(-c2nc3c(F)cnc(Br)c3[nH]2)c1	ZINC000587242444	HJ	Annotated	Anodyne	
CCCOc1cc2nc(Cc3cccc(NC(C)=O)c3)[nH]c2cc1Br	ZINC000587242508	HJ	Annotated	Anodyne	
CC(=O)Nc1cccc(Cc2nc3c(Br)ccc(Br)c3[nH]2)c1	ZINC000587242677	HJ	Annotated	Anodyne	
CC(=O)Nc1cccc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1	ZINC000587242684	HJ	Annotated	Anodyne	
CC(C)(C)C(=O)Nc1cccc(-c2nc3cccc(I)c3[nH]2)c1	ZINC000587242703	HJ	Annotated	Anodyne	
CC(=O)Nc1cccc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1	ZINC000587242837	HJ	Annotated	Anodyne	
Oc1ccc(Nc2cccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)cc1	ZINC000587242866	HJ	Annotated	Anodyne	
O=C(/C=C/c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)Nc1ccccc1	ZINC000587244074	HJ	Annotated	Anodyne	
O=C(/C=C\c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)Nc1ccccc1	ZINC000587244078	HJ	Annotated	Anodyne	
COC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cn1	ZINC000587244355	HJ	Annotated	Anodyne	
Cc1oncc1C(=O)Nc1ccc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1	ZINC000587244474	HJ	Annotated	Anodyne	
COC(=O)Nc1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cn1	ZINC000587244730	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2cc1Br	ZINC000587245031	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2cc1Br	ZINC000587245037	HJ	Annotated	Anodyne	
COC(=O)Nc1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cn1	ZINC000587245463	HJ	Annotated	Anodyne	
CCCOc1cc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2cc1Br	ZINC000587245584	HJ	Annotated	Anodyne	
CCCOc1cc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2cc1Br	ZINC000587245586	HJ	Annotated	Anodyne	
COC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cn1	ZINC000587245604	HJ	Annotated	Anodyne	
Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1	ZINC000587245618	HJ	Annotated	Anodyne	
Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1	ZINC000587245643	HJ	Annotated	Anodyne	
Cc1c(Br)cc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c2c1C	ZINC000587247507	HJ	Annotated	Anodyne	
CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cn1	ZINC000587247775	HJ	Annotated	Anodyne	
CCCCCCCCOc1cc2nc([C@]3(N)CCOC3)[nH]c2cc1Br	ZINC000587247829	HJ	Annotated	Mild	
CCCCCCCCOc1cc2nc([C@@]3(N)CCOC3)[nH]c2cc1Br	ZINC000587247831	HJ	Annotated	Mild	
COC(=O)c1ccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2c1OC	ZINC000587247927	HJ	Annotated	Anodyne	
N[C@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCOC1	ZINC000587248094	HJ	Annotated	Reactive	
N[C@@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCOC1	ZINC000587248095	HJ	Annotated	Reactive	
CC(C)CCOc1cc2nc(-c3c(N)cccc3C(=O)O)[nH]c2cc1Br	ZINC000587248390	HJ	Annotated	Anodyne	
COc1cc(C)c(N)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1	ZINC000587248698	HJ	Annotated	Anodyne	
Nc1cc(C(=O)O)ccc1Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1	ZINC000587249397	HJ	Annotated	Anodyne	
COc1cc(C)c(N)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1	ZINC000587249449	HJ	Annotated	Anodyne	
COc1cc(C)c(N)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1	ZINC000587249475	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(-c3cc(OC)cc(C)c3N)[nH]c2c(F)c1Nc1ccccc1	ZINC000587249549	HJ	Annotated	Anodyne	
Cc1ccc(CCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1N	ZINC000587249628	HJ	Annotated	Anodyne	
COc1cc(C)c(N)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1	ZINC000587250056	HJ	Annotated	Anodyne	
Nc1ccccc1-c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1	ZINC000587250101	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(CCc3ccc(C)c(N)c3)[nH]c2c(F)c1Nc1ccccc1	ZINC000587250165	HJ	Annotated	Anodyne	
Cc1ccc(CCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1N	ZINC000587250201	HJ	Annotated	Anodyne	
COc1cc(C)c(N)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1	ZINC000587250492	HJ	Annotated	Anodyne	
COc1cc(C)c(N)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1	ZINC000587250511	HJ	Annotated	Anodyne	
COc1cc(C)c(N)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1	ZINC000587250556	HJ	Annotated	Anodyne	
Cc1ccc(CCc2nc3c(Br)ccc(Br)c3[nH]2)cc1N	ZINC000587250559	HJ	Annotated	Anodyne	
Cc1ccc(CCc2nc3cc(Br)c(Br)cc3[nH]2)cc1N	ZINC000587250635	HJ	Annotated	Anodyne	
COc1cc(C)c(N)c(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1	ZINC000587250779	HJ	Annotated	Anodyne	
Cc1ccc(CCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1N	ZINC000587250883	HJ	Annotated	Anodyne	
COc1cc(C)c(N)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1	ZINC000587251052	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc(CCc4ccc(C)c(N)c4)[nH]c3c2)cc1	ZINC000587251053	HJ	Annotated	Anodyne	
COc1cc(C)c(N)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1	ZINC000587251071	HJ	Annotated	Anodyne	
Nc1ccc(C(=O)CCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1	ZINC000587251160	HJ	Annotated	Anodyne	
Nc1ccc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1	ZINC000587251327	HJ	Annotated	Anodyne	
Nc1ccc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1	ZINC000587251328	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(/C=C/c3ccc(N)cc3)[nH]c2c(F)c1Nc1ccccc1	ZINC000587251360	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(/C=C\c3ccc(N)cc3)[nH]c2c(F)c1Nc1ccccc1	ZINC000587251361	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2cc1Br	ZINC000587251440	HJ	Annotated	Anodyne	
Nc1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c2ccccc2c1	ZINC000587251525	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(N)cc4ccccc34)nc2c1	ZINC000587251587	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2cc1Br	ZINC000587251614	HJ	Annotated	Anodyne	
Nc1ccc(C(=O)CCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1	ZINC000587251630	HJ	Annotated	Anodyne	
Nc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1	ZINC000587251635	HJ	Annotated	Anodyne	
Nc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1	ZINC000587251850	HJ	Annotated	Anodyne	
Nc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1	ZINC000587252146	HJ	Annotated	Anodyne	
Nc1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c2ccccc2c1	ZINC000587252276	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc(CCC(=O)c4ccc(N)cc4)[nH]c3c2)cc1	ZINC000587252358	HJ	Annotated	Anodyne	
CCCCCOc1cc2[nH]c(-c3c(N)cncc3OC)nc2cc1Br	ZINC000587252906	HJ	Annotated	Anodyne	
Nc1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c2ccccc2n1	ZINC000587253199	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc(-c3cc(N)nc4ccccc34)[nH]c2cc1Br	ZINC000587253255	HJ	Annotated	Anodyne	
Nc1c(-c2nc3c(I)cnc(Cl)c3[nH]2)ccc2ccccc12	ZINC000587253370	HJ	Annotated	Anodyne	
Nc1ncc(-c2cccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)cn1	ZINC000587253568	HJ	Annotated	Anodyne	
CCCOc1cc2nc(-c3cccc(-c4cnc(N)nc4)c3)[nH]c2cc1Br	ZINC000587253645	HJ	Annotated	Anodyne	
Nc1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c2ccccc2n1	ZINC000587253928	HJ	Annotated	Anodyne	
Nc1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c2ccccc2n1	ZINC000587254065	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(-c3cccc(-c4cnc(N)nc4)c3)[nH]c2cc1Br	ZINC000587254120	HJ	Annotated	Anodyne	
Nc1ncc(-c2cccc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2)cn1	ZINC000587254553	HJ	Annotated	Anodyne	
Nc1c(-c2nc3c(Br)cnc(Br)c3[nH]2)ccc2ccccc12	ZINC000587254601	HJ	Annotated	Anodyne	
Nc1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c2ccccc2n1	ZINC000587254630	HJ	Annotated	Anodyne	
Nc1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c2ccccc2n1	ZINC000587254746	HJ	Annotated	Anodyne	
Nc1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c2ccccc2n1	ZINC000587254789	HJ	Annotated	Anodyne	
CCCCCCCCOc1cc2nc([C@H](N)C3COC3)[nH]c2cc1Br	ZINC000587255679	HJ	Annotated	Mild	
N[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C1COC1	ZINC000587255709	HJ	Annotated	Reactive	
CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1	ZINC000587256423	HJ	Annotated	Reactive	
NC1CCC(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC1	ZINC000587256693	HJ	Annotated	Anodyne	
C=CC[C@@](C)(N)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1	ZINC000587257409	HJ	Annotated	Mild	
N[C@@H](Cc1nc2c(Cl)c(Br)cnc2[nH]1)c1cccc2ccccc12	ZINC000587258452	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c(C[C@H](N)c3cccc4ccccc34)nc2c1	ZINC000587258476	HJ	Annotated	Anodyne	
N[C@@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1cccc2ccccc12	ZINC000587258624	HJ	Annotated	Clean	
N[C@@H](Cc1nc2cccc(I)c2[nH]1)c1cccc2ccccc12	ZINC000587258673	HJ	Annotated	Anodyne	
N[C@@H](Cc1nc2ccc(I)cc2[nH]1)c1cccc2ccccc12	ZINC000587258675	HJ	Annotated	Anodyne	
N[C@@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1cccc2ccccc12	ZINC000587259034	HJ	Annotated	Bother	
N#Cc1cc(Cl)c2[nH]c([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)nc2c1	ZINC000587259105	HJ	Annotated	Mild	
[N-]=[N+]=NCCCCCCc1nc2c(I)cnc(Cl)c2[nH]1	ZINC000587259357	HJ	Annotated	Clean	
N[C@@H](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)c1cccc2ccccc12	ZINC000587259468	HJ	Annotated	Anodyne	
N[C@@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1cccc2ccccc12	ZINC000587259497	HJ	Annotated	Bother	
N[C@@H](Cc1nc2c(Br)cnc(Cl)c2[nH]1)c1cccc2ccccc12	ZINC000587259519	HJ	Annotated	Anodyne	
NC(=O)c1cccc(C[C@H](N)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1	ZINC000587260653	HJ	Annotated	Reactive	
[N-]=[N+]=NCCCCCCc1nc2c(Br)cnc(Br)c2[nH]1	ZINC000587260712	HJ	Annotated	Clean	
COc1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587260751	HJ	Annotated	Bother	
COc1cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587260767	HJ	Annotated	Clean	
Cc1c(-c2nc3c(Br)ccc(Br)c3[nH]2)cccc1[N+](=O)[O-]	ZINC000587260876	HJ	Annotated	Bother	
COc1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587260959	HJ	Annotated	Bother	
COc1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587260971	HJ	Annotated	Bother	
COc1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587261017	HJ	Annotated	Bother	
COc1cc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587261033	HJ	Annotated	Bother	
Cc1c(-c2nc3cc(Br)c(Br)cc3[nH]2)cccc1[N+](=O)[O-]	ZINC000587261195	HJ	Annotated	Bother	
COc1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587261202	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(SC)cc2[nH]1	ZINC000587261288	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(SC)cc2[nH]1	ZINC000587261289	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Cl)c(F)cc2[nH]1	ZINC000587261336	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Cl)c(F)cc2[nH]1	ZINC000587261337	HJ	Annotated	Bother	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1	ZINC000587261391	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C(C)(C)C)nc2[nH]1	ZINC000587261627	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(C)(C)C)nc2[nH]1	ZINC000587261631	HJ	Annotated	Bother	
Cc1cc(C#Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc1[N+](=O)[O-]	ZINC000587261659	HJ	Annotated	Mild	
CCCOc1cc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2cc1Br	ZINC000587261773	HJ	Annotated	Mild	
COCCNc1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587261780	HJ	Annotated	Bother	
Cc1cc(C#Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc1[N+](=O)[O-]	ZINC000587262041	HJ	Annotated	Mild	
O=CC(C=O)c1ccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1[N+](=O)[O-]	ZINC000587262046	HJ	Annotated	Mild	
Cc1cc(C#Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc1[N+](=O)[O-]	ZINC000587262059	HJ	Annotated	Mild	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1	ZINC000587262118	HJ	Annotated	Clean	
COCCNc1ccc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587262126	HJ	Annotated	Bother	
Cc1cc(C#Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc1[N+](=O)[O-]	ZINC000587262144	HJ	Annotated	Mild	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Br)c(C)c(C)c3[nH]2)c1	ZINC000587262163	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C)c(Cl)cc2[nH]1	ZINC000587262184	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C)c(Cl)cc2[nH]1	ZINC000587262185	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Cl)cc(C)c2[nH]1	ZINC000587262214	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Cl)cc(C)c2[nH]1	ZINC000587262215	HJ	Annotated	Bother	
C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H]1C[N+](=O)[O-]	ZINC000587262226	HJ	Annotated	Reactive	
C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H]1C[N+](=O)[O-]	ZINC000587262227	HJ	Annotated	Reactive	
C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H]1C[N+](=O)[O-]	ZINC000587262228	HJ	Annotated	Reactive	
C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H]1C[N+](=O)[O-]	ZINC000587262229	HJ	Annotated	Reactive	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3cccc(OCc4ccccc4)c3[nH]2)c1	ZINC000587262358	HJ	Annotated	Bother	
COc1cc(OCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)ccc1[N+](=O)[O-]	ZINC000587262617	HJ	Annotated	Bother	
Cc1cc(C#Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)ccc1[N+](=O)[O-]	ZINC000587262624	HJ	Annotated	Mild	
COc1cc(OCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1[N+](=O)[O-]	ZINC000587262687	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(C(F)(F)F)c2[nH]1	ZINC000587262978	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(C(F)(F)F)c2[nH]1	ZINC000587262980	HJ	Annotated	Bother	
COc1cc(OCc2nc3cccc(OCc4ccccc4)c3[nH]2)ccc1[N+](=O)[O-]	ZINC000587262999	HJ	Annotated	Bother	
C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@@H]1C[N+](=O)[O-]	ZINC000587263032	HJ	Annotated	Bother	
C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@H]1C[N+](=O)[O-]	ZINC000587263033	HJ	Annotated	Bother	
C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@@H]1C[N+](=O)[O-]	ZINC000587263034	HJ	Annotated	Bother	
C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@H]1C[N+](=O)[O-]	ZINC000587263035	HJ	Annotated	Bother	
COc1cc(OCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)ccc1[N+](=O)[O-]	ZINC000587263383	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc3nc(C)ccc3c2[nH]1	ZINC000587263430	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc3nc(C)ccc3c2[nH]1	ZINC000587263433	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Cl)cc(F)c2[nH]1	ZINC000587263440	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Cl)cc(F)c2[nH]1	ZINC000587263442	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc3ccccc3cc2[nH]1	ZINC000587264000	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc3ccccc3cc2[nH]1	ZINC000587264001	HJ	Annotated	Bother	
COCCOc1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587264105	HJ	Annotated	Bother	
Cc1nn(Cc2ccccc2-c2nc3cc(C#N)cc(Cl)c3[nH]2)c(C)c1[N+](=O)[O-]	ZINC000587264223	HJ	Annotated	Mild	
O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)o1	ZINC000587264243	HJ	Annotated	Bother	
Cc1nn(Cc2ccccc2-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(C)c1[N+](=O)[O-]	ZINC000587264286	HJ	Annotated	Bother	
O=[N+]([O-])c1ccc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c([N+](=O)[O-])c1	ZINC000587264380	HJ	Annotated	Bother	
O=[N+]([O-])c1ccc(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c([N+](=O)[O-])c1	ZINC000587264636	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc3c(c2[nH]1)CCCC3	ZINC000587264735	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc3c(c2[nH]1)CCCC3	ZINC000587264739	HJ	Annotated	Bother	
COCCNc1ccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587264781	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(OC(C)C)cc2[nH]1	ZINC000587264784	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(OC(C)C)cc2[nH]1	ZINC000587264786	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(F)(F)F)cc2[nH]1	ZINC000587264790	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C(F)(F)F)cc2[nH]1	ZINC000587264792	HJ	Annotated	Bother	
Cc1nn(Cc2ccccc2-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(C)c1[N+](=O)[O-]	ZINC000587265013	HJ	Annotated	Bother	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(Sc3ccccc3)cc2[nH]1	ZINC000587265020	HJ	Annotated	Bother	
COCCOc1ccc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587265277	HJ	Annotated	Bother	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(F)cc2[nH]1	ZINC000587265426	HJ	Annotated	Bother	
Cc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br	ZINC000587265434	HJ	Annotated	Bother	
O=[N+]([O-])c1ccc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c([N+](=O)[O-])c1	ZINC000587265445	HJ	Annotated	Bother	
O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)o1	ZINC000587265596	HJ	Annotated	Bother	
Cc1nn(Cc2ccccc2-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(C)c1[N+](=O)[O-]	ZINC000587265659	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Cl)c(C)c2[nH]1	ZINC000587266151	HJ	Annotated	Bother	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Cl)c(C)c2[nH]1	ZINC000587266154	HJ	Annotated	Bother	
COc1cc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2cc1Cl	ZINC000587266177	HJ	Annotated	Bother	
Cc1nn(Cc2ccccc2-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(C)c1[N+](=O)[O-]	ZINC000587266232	HJ	Annotated	Bother	
Cc1c(Br)ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12	ZINC000587266318	HJ	Annotated	Bother	
O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)o1	ZINC000587266350	HJ	Annotated	Bother	
COCCOc1ccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587266399	HJ	Annotated	Bother	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(C(F)(F)F)c2[nH]1	ZINC000587267237	HJ	Annotated	Bother	
Cc1cc(Br)c2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1	ZINC000587267289	HJ	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1	ZINC000587267319	HJ	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1	ZINC000587267324	HJ	Annotated	Bother	
Cc1nn(Cc2ccccc2-c2nc3ccc(OC(C)C)cc3[nH]2)c(C)c1[N+](=O)[O-]	ZINC000587267337	HJ	Annotated	Bother	
Cc1cc(Br)cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12	ZINC000587267451	HJ	Annotated	Bother	
Cc1nn(Cc2ccccc2-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(C)c1[N+](=O)[O-]	ZINC000587267548	HJ	Annotated	Bother	
CCCCOc1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Br	ZINC000587267627	HJ	Annotated	Bother	
CCCCOc1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Br	ZINC000587267631	HJ	Annotated	Bother	
Cc1nn(Cc2ccccc2-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(C)c1[N+](=O)[O-]	ZINC000587267639	HJ	Annotated	Bother	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1	ZINC000587267886	HJ	Annotated	Bother	
Cc1nn(Cc2ccccc2-c2nc3ccc4c(c3[nH]2)CCCC4)c(C)c1[N+](=O)[O-]	ZINC000587267916	HJ	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1	ZINC000587267992	HJ	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1	ZINC000587267993	HJ	Annotated	Bother	
Cc1nn(Cc2ccccc2-c2nc3ccc(C(C)(C)C)nc3[nH]2)c(C)c1[N+](=O)[O-]	ZINC000587268242	HJ	Annotated	Bother	
Cc1ccc2c(ccc3nc(-c4ccccc4Cn4nc(C)c([N+](=O)[O-])c4C)[nH]c32)n1	ZINC000587268273	HJ	Annotated	Bother	
Cc1oc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1[N+](=O)[O-]	ZINC000587268522	HJ	Annotated	Bother	
Cc1oc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587268575	HJ	Annotated	Bother	
Nc1ccc(-c2ccc3nc(-c4cc([N+](=O)[O-])ccc4N4CCCC4)[nH]c3c2)cc1N	ZINC000587268643	HJ	Annotated	Bother	
COC(=O)c1cc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2c(F)c1Nc1ccccc1	ZINC000587268697	HJ	Annotated	Bother	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Br)cc(F)c3[nH]2)c1	ZINC000587268707	HJ	Annotated	Bother	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1	ZINC000587268733	HJ	Annotated	Bother	
Cc1oc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1[N+](=O)[O-]	ZINC000587268832	HJ	Annotated	Bother	
O=[N+]([O-])c1cccnc1NCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1	ZINC000587268947	HJ	Annotated	Bother	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Cl)cc(Cl)c3[nH]2)CC1	ZINC000587268958	HJ	Annotated	Bother	
Cc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1Br	ZINC000587269008	HJ	Annotated	Bother	
N#Cc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1C(F)(F)F	ZINC000587269045	HJ	Annotated	Mild	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(Br)c(F)c3[nH]2)c1	ZINC000587269051	HJ	Annotated	Bother	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Br)c(F)cc3[nH]2)c1	ZINC000587269074	HJ	Annotated	Bother	
Cc1oc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-]	ZINC000587269093	HJ	Annotated	Bother	
CC(C)(C)c1cccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12	ZINC000587269205	HJ	Annotated	Bother	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)nn2)c1	ZINC000587269241	HJ	Annotated	Bother	
Cc1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2c1	ZINC000587269281	HJ	Annotated	Bother	
Cc1c(Br)ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12	ZINC000587269287	HJ	Annotated	Bother	
CC(C)Oc1cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2cc1Br	ZINC000587269322	HJ	Annotated	Bother	
O=[N+]([O-])c1cccc(-c2cncc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)c1	ZINC000587269447	HJ	Annotated	Bother	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1	ZINC000587269468	HJ	Annotated	Bother	
Cc1oc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-]	ZINC000587269624	HJ	Annotated	Bother	
O=[N+]([O-])c1cccnc1NCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1	ZINC000587269715	HJ	Annotated	Bother	
Cc1cc(Br)cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12	ZINC000587269820	HJ	Annotated	Bother	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(F)c(Br)c3[nH]2)c1	ZINC000587269845	HJ	Annotated	Bother	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1	ZINC000587269926	HJ	Annotated	Bother	
O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)c1	ZINC000587269975	HJ	Annotated	Bother	
Cc1nc2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc2cc1Br	ZINC000587270339	HJ	Annotated	Bother	
CCCOc1cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2cc1Br	ZINC000587270418	HJ	Annotated	Bother	
N#Cc1cc(Br)c2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc2c1	ZINC000587270426	HJ	Annotated	Mild	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(F)cc(Br)c3[nH]2)c1	ZINC000587270456	HJ	Annotated	Bother	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1	ZINC000587270489	HJ	Annotated	Bother	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1	ZINC000587270535	HJ	Annotated	Bother	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC1	ZINC000587270623	HJ	Annotated	Bother	
O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(Br)c(O)c4[nH]3)c2)c1	ZINC000587270985	HJ	Annotated	Bother	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1	ZINC000587271088	HJ	Annotated	Bother	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)nc(C#N)c3[nH]1)[C@@H]1CC=C[C@@H]21	ZINC000587271543	HJ	Annotated	Mild	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)nc(C#N)c3[nH]1)[C@@H]1CC=C[C@H]21	ZINC000587271544	HJ	Annotated	Mild	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)nc(C#N)c3[nH]1)[C@H]1CC=C[C@H]21	ZINC000587271545	HJ	Annotated	Mild	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)nc(C#N)c3[nH]1)[C@H]1CC=C[C@@H]21	ZINC000587271546	HJ	Annotated	Mild	
O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)cc1	ZINC000587272227	HJ	Annotated	Bother	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1	ZINC000587272965	HJ	Annotated	Bother	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1	ZINC000587272967	HJ	Annotated	Bother	
O=[N+]([O-])c1ccn(CCCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)n1	ZINC000587273103	HJ	Annotated	Bother	
CC[C@H](Oc1ccc(C)c(C)c1)C(=O)c1c(CO)oc2cc(Br)cnc12	ZINC000587273193	HJ	Annotated	Anodyne	
CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)c1c(CO)oc2cc(Br)cnc12	ZINC000587273204	HJ	Annotated	Anodyne	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)c1c(CO)oc2cc(Br)cnc12	ZINC000587273333	HJ	Annotated	Anodyne	
O=C(CC12CC3CC(CC(C3)C1)C2)c1c(CO)oc2cc(Br)cnc12	ZINC000587273626	HJ	Annotated	Anodyne	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1	ZINC000587273960	HJ	Annotated	Bother	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1	ZINC000587273967	HJ	Annotated	Bother	
O=C(c1c(CO)oc2cc(Br)cnc12)C1(c2ccccc2)CCCC1	ZINC000587274099	HJ	Annotated	Anodyne	
O=C(Cl)CCCCCCCC(=O)c1c(CO)oc2cc(Br)cnc12	ZINC000587274444	HJ	Annotated	Reactive	
CCOC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c1	ZINC000587275393	HJ	Annotated	Clean	
CCOC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c1	ZINC000587275394	HJ	Annotated	Clean	
CCOC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c1	ZINC000587275395	HJ	Annotated	Clean	
CCOC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c1	ZINC000587275396	HJ	Annotated	Clean	
COc1cc(OC)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)nc2c1	ZINC000587275407	HJ	Annotated	Clean	
COc1cc(OC)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)nc2c1	ZINC000587275408	HJ	Annotated	Clean	
COc1cc(OC)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)nc2c1	ZINC000587275409	HJ	Annotated	Clean	
COc1cc(OC)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)nc2c1	ZINC000587275410	HJ	Annotated	Clean	
Cc1oc(-c2ccccc2)cc1C(=O)c1c(CO)oc2cc(Br)cnc12	ZINC000587275437	HJ	Annotated	Anodyne	
O=C(Cc1cc(Cl)ccc1Cl)c1c(CO)oc2cc(Br)cnc12	ZINC000587275496	HJ	Annotated	Anodyne	
O=C(Cc1c(Cl)cccc1Cl)c1c(CO)oc2cc(Br)cnc12	ZINC000587275557	HJ	Annotated	Anodyne	
O=C(c1cccc(-c2ccccc2)c1)c1c(CO)oc2cc(Br)cnc12	ZINC000587275571	HJ	Annotated	Anodyne	
O=C(c1cc(F)c(Cl)cc1Cl)c1c(CO)oc2cc(Br)cnc12	ZINC000587275647	HJ	Annotated	Anodyne	
Cc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)ccc1C(F)(F)F	ZINC000587275786	HJ	Annotated	Anodyne	
O=C(c1cc(Cl)ccc1Cl)c1c(CO)oc2cc(Br)cnc12	ZINC000587275934	HJ	Annotated	Anodyne	
O=C(c1cccc(Cl)c1Cl)c1c(CO)oc2cc(Br)cnc12	ZINC000587275951	HJ	Annotated	Anodyne	
O=C(c1ccc(-c2ccccc2F)o1)c1c(CO)oc2cc(Br)cnc12	ZINC000587276162	HJ	Annotated	Anodyne	
O=C(CCSc1ccc(F)cc1)c1c(CO)oc2cc(Br)cnc12	ZINC000587276179	HJ	Annotated	Anodyne	
O=C(Cc1ccc(C(F)(F)F)cc1)c1c(CO)oc2cc(Br)cnc12	ZINC000587276218	HJ	Annotated	Anodyne	
O=C(Cc1cccc(C(F)(F)F)c1)c1c(CO)oc2cc(Br)cnc12	ZINC000587276237	HJ	Annotated	Anodyne	
O=C(c1ccc(Cc2ccccc2)cc1)c1c(CO)oc2cc(Br)cnc12	ZINC000587276287	HJ	Annotated	Anodyne	
Cc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1C(F)(F)F	ZINC000587276298	HJ	Annotated	Anodyne	
O=C(c1ccc(Cl)cc1Cl)c1c(CO)oc2cc(Br)cnc12	ZINC000587276366	HJ	Annotated	Anodyne	
O=C(c1ccc(-c2ccccc2)cc1)c1c(CO)oc2cc(Br)cnc12	ZINC000587276383	HJ	Annotated	Anodyne	
O=C(c1c(Cl)cccc1Cl)c1c(CO)oc2cc(Br)cnc12	ZINC000587276406	HJ	Annotated	Anodyne	
O=C(c1cc(Cl)sc1Cl)c1c(CO)oc2cc(Br)cnc12	ZINC000587276468	HJ	Annotated	Anodyne	
COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2cc1OC	ZINC000587276559	HJ	Annotated	Clean	
COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2cc1OC	ZINC000587276560	HJ	Annotated	Clean	
COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2cc1OC	ZINC000587276561	HJ	Annotated	Clean	
COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2cc1OC	ZINC000587276562	HJ	Annotated	Clean	
O=C(c1ccc(Cl)c(Cl)c1)c1c(CO)oc2cc(Br)cnc12	ZINC000587276579	HJ	Annotated	Anodyne	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)c1c(CO)oc2cc(Br)cnc12	ZINC000587276611	HJ	Annotated	Anodyne	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)c1c(CO)oc2cc(Br)cnc12	ZINC000587276612	HJ	Annotated	Anodyne	
O=C(c1cccc(SC(F)F)c1)c1c(CO)oc2cc(Br)cnc12	ZINC000587276658	HJ	Annotated	Anodyne	
Cc1ccc(C(F)(F)F)cc1C(=O)c1c(CO)oc2cc(Br)cnc12	ZINC000587276669	HJ	Annotated	Anodyne	
Cc1c(C(=O)c2c(CO)oc3cc(Br)cnc23)cccc1C(F)(F)F	ZINC000587276681	HJ	Annotated	Anodyne	
Cc1nnn(C23C[C@H]4C[C@@H](CC(CC(=O)c5coc6ccc(Cl)cc56)(C4)C2)C3)n1	ZINC000587276763	HJ	Annotated	Anodyne	
O=C(c1cc2cc(F)ccc2s1)c1c(CO)oc2cc(Br)cnc12	ZINC000587276820	HJ	Annotated	Anodyne	
Cc1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)nc2cc1[N+](=O)[O-]	ZINC000587276855	HJ	Annotated	Clean	
Cc1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)nc2cc1[N+](=O)[O-]	ZINC000587276856	HJ	Annotated	Clean	
Cc1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)nc2cc1[N+](=O)[O-]	ZINC000587276857	HJ	Annotated	Clean	
Cc1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)nc2cc1[N+](=O)[O-]	ZINC000587276858	HJ	Annotated	Clean	
O=C(c1cc(Cl)nc2ccccc12)c1c(CO)oc2cc(Br)cnc12	ZINC000587276958	HJ	Annotated	Anodyne	
CC(C)(Oc1ccc(Cl)cc1)C(=O)c1c(CO)oc2cc(Br)cnc12	ZINC000587277041	HJ	Annotated	Anodyne	
O=C(c1cc(Cl)cc(Cl)c1)c1c(CO)oc2cc(Br)cnc12	ZINC000587277070	HJ	Annotated	Anodyne	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)[C@@H]1CC=C[C@@H]21	ZINC000587277354	HJ	Annotated	Clean	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)[C@@H]1CC=C[C@H]21	ZINC000587277355	HJ	Annotated	Clean	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)[C@H]1CC=C[C@@H]21	ZINC000587277356	HJ	Annotated	Clean	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)[C@H]1CC=C[C@H]21	ZINC000587277357	HJ	Annotated	Clean	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCCCO4)[C@H]1CC=C[C@H]21	ZINC000587277526	HJ	Annotated	Clean	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCCCO4)[C@H]1CC=C[C@@H]21	ZINC000587277527	HJ	Annotated	Clean	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCCCO4)[C@@H]1CC=C[C@@H]21	ZINC000587277528	HJ	Annotated	Clean	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCCCO4)[C@@H]1CC=C[C@H]21	ZINC000587277529	HJ	Annotated	Clean	
CCCCCOc1cc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1Br	ZINC000587277568	HJ	Annotated	Bother	
CCCCCOc1cc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1Br	ZINC000587277569	HJ	Annotated	Bother	
CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)c1coc2ccc(Cl)cc12	ZINC000587277750	HJ	Annotated	Anodyne	
N#Cc1ccc2c(C(=O)c3ccc(Cl)cc3I)coc2c1	ZINC000587277868	HJ	Annotated	Mild	
Cc1ccc(OCc2ccc(C(=O)c3coc4cc(C#N)ccc34)o2)c([N+](=O)[O-])c1	ZINC000587278257	HJ	Annotated	Mild	
N#Cc1ccc2c(C(=O)c3cc4nc(-c5ccco5)cc(C(F)(F)F)n4n3)coc2c1	ZINC000587278305	HJ	Annotated	Mild	
O=C(c1coc2ccc(Cl)cc12)C1CCN(c2nccc(C(F)(F)F)n2)CC1	ZINC000587278708	HJ	Annotated	Anodyne	
O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1coc2ccc(Cl)cc12	ZINC000587278740	HJ	Annotated	Anodyne	
CC1CCN(S(=O)(=O)c2ccc(C(=O)c3coc4ccc(Cl)cc34)cc2)CC1	ZINC000587278853	HJ	Annotated	Anodyne	
N#Cc1ccc2c(C(=O)c3nn(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])coc2c1	ZINC000587278977	HJ	Annotated	Mild	
Cc1nn(Cc2ccc(C(=O)c3coc4cc(C#N)ccc34)o2)c(C)c1Br	ZINC000587279658	HJ	Annotated	Mild	
O=C(OCc1ccccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12)c1ccccc1	ZINC000587279748	HJ	Annotated	Bother	
O=C(c1cnn(-c2ccccc2)c1C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12	ZINC000587279779	HJ	Annotated	Bother	
Cc1ccc(OCc2ccc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)o2)c([N+](=O)[O-])c1	ZINC000587279840	HJ	Annotated	Bother	
COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)o1	ZINC000587279842	HJ	Annotated	Bother	
O=C(c1ccc(COc2ccccc2[N+](=O)[O-])o1)c1coc2cc([N+](=O)[O-])ccc12	ZINC000587279845	HJ	Annotated	Bother	
O=C(c1cnn2c1NC(=C1CC1)C=C2C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12	ZINC000587279849	HJ	Annotated	Bother	
O=C(c1coc2cc([N+](=O)[O-])ccc12)C1CCN(C(=O)OCc2ccccc2)CC1	ZINC000587280022	HJ	Annotated	Bother	
O=C(c1cc2n(n1)C(C(F)(F)F)=CC(=C1CC1)N2)c1coc2cc([N+](=O)[O-])ccc12	ZINC000587280096	HJ	Annotated	Bother	
O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F)c1coc2ccccc12	ZINC000587280872	HJ	Annotated	Bother	
O=C(c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1coc2ccccc12	ZINC000587281041	HJ	Annotated	Anodyne	
C[C@H](Br)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587322822	HJ	Annotated	Reactive	
C[C@H](Br)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587322824	HJ	Annotated	Reactive	
C[C@H](Br)[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587322827	HJ	Annotated	Reactive	
C[C@H](Br)[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587322829	HJ	Annotated	Reactive	
COC1=C(Br)[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587323027	HJ	Annotated	Anodyne	
COC1=C(Br)[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587323030	HJ	Annotated	Anodyne	
COC1=C(Br)[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587323031	HJ	Annotated	Anodyne	
COC1=C(Br)[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587323032	HJ	Annotated	Anodyne	
C=CCC[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587323775	HJ	Annotated	Reactive	
C=CCC[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587323777	HJ	Annotated	Reactive	
C=CCC[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587323779	HJ	Annotated	Reactive	
C=CCC[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587323780	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2Br)[C@H]1c1ccc(F)cc1	ZINC000587324095	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2Br)[C@@H]1c1ccc(F)cc1	ZINC000587324096	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2Br)[C@H]1c1ccc(F)cc1	ZINC000587324097	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2Br)[C@@H]1c1ccc(F)cc1	ZINC000587324098	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@](CBr)(C2CCC2)[C@H]1c1ccc(F)cc1	ZINC000587324401	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@@](CBr)(C2CCC2)[C@H]1c1ccc(F)cc1	ZINC000587324402	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@@](CBr)(C2CCC2)[C@@H]1c1ccc(F)cc1	ZINC000587324403	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@](CBr)(C2CCC2)[C@@H]1c1ccc(F)cc1	ZINC000587324404	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@@](CBr)(CC2CC2)[C@H]1c1ccc(F)cc1	ZINC000587324409	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@](CBr)(CC2CC2)[C@H]1c1ccc(F)cc1	ZINC000587324410	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@](CBr)(CC2CC2)[C@@H]1c1ccc(F)cc1	ZINC000587324411	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@@](CBr)(CC2CC2)[C@@H]1c1ccc(F)cc1	ZINC000587324412	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c3ncccc23)[C@@H]1c1ccc(F)cc1	ZINC000587325024	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c3ncccc23)[C@H]1c1ccc(F)cc1	ZINC000587325026	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c3ncccc23)[C@@H]1c1ccc(F)cc1	ZINC000587325027	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c3ncccc23)[C@H]1c1ccc(F)cc1	ZINC000587325029	HJ	Annotated	Reactive	
N#Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587325085	HJ	Annotated	Reactive	
N#Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587325088	HJ	Annotated	Reactive	
N#Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587325090	HJ	Annotated	Reactive	
N#Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587325091	HJ	Annotated	Reactive	
Cc1noc(C)c1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587325315	HJ	Annotated	Reactive	
Cc1noc(C)c1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587325317	HJ	Annotated	Reactive	
Cc1noc(C)c1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587325319	HJ	Annotated	Reactive	
Cc1noc(C)c1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587325320	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2OC2(CCC(Br)CC2)[C@@H]1c1ccc(F)cc1	ZINC000587325350	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2OC2(CCC(Br)CC2)[C@H]1c1ccc(F)cc1	ZINC000587325351	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@](CCl)(COc2ccccc2)[C@@H]1c1ccc(F)cc1	ZINC000587325392	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@@](CCl)(COc2ccccc2)[C@@H]1c1ccc(F)cc1	ZINC000587325393	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@@](CCl)(COc2ccccc2)[C@H]1c1ccc(F)cc1	ZINC000587325394	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@](CCl)(COc2ccccc2)[C@H]1c1ccc(F)cc1	ZINC000587325395	HJ	Annotated	Reactive	
C[C@H](O)[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587326130	HJ	Annotated	Anodyne	
C[C@H](O)[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587326132	HJ	Annotated	Anodyne	
C[C@H](O)[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587326133	HJ	Annotated	Anodyne	
C[C@H](O)[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587326135	HJ	Annotated	Anodyne	
CCn1cc([C@@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1	ZINC000587326386	HJ	Annotated	Anodyne	
CCn1cc([C@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1	ZINC000587326387	HJ	Annotated	Anodyne	
CCn1cc([C@@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1	ZINC000587326388	HJ	Annotated	Anodyne	
CCn1cc([C@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1	ZINC000587326389	HJ	Annotated	Anodyne	
C[C@@]1(c2c(Cl)ncnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587326450	HJ	Annotated	Anodyne	
C[C@@]1(c2c(Cl)ncnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587326451	HJ	Annotated	Anodyne	
C[C@]1(c2c(Cl)ncnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587326452	HJ	Annotated	Anodyne	
C[C@]1(c2c(Cl)ncnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587326453	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587326672	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587326673	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587326734	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587326736	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(COCc3cccc(Cl)c32)[C@@H]1c1ccc(F)cc1	ZINC000587327153	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(COCc3cccc(Cl)c32)[C@@H]1c1ccc(F)cc1	ZINC000587327154	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(COCc3cccc(Cl)c32)[C@H]1c1ccc(F)cc1	ZINC000587327155	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(COCc3cccc(Cl)c32)[C@H]1c1ccc(F)cc1	ZINC000587327156	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1	ZINC000587327221	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1	ZINC000587327224	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1	ZINC000587327226	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1	ZINC000587327228	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)CCO3)[C@@H]1c1ccc(F)cc1	ZINC000587327350	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)CCO3)[C@H]1c1ccc(F)cc1	ZINC000587327351	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)CCO3)[C@H]1c1ccc(F)cc1	ZINC000587327352	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)CCO3)[C@@H]1c1ccc(F)cc1	ZINC000587327353	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@@](CCl)(c2nc3ccccc3[nH]2)[C@@H]1c1ccc(F)cc1	ZINC000587327561	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@@](CCl)(c2nc3ccccc3[nH]2)[C@H]1c1ccc(F)cc1	ZINC000587327562	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@](CCl)(c2nc3ccccc3[nH]2)[C@@H]1c1ccc(F)cc1	ZINC000587327563	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@](CCl)(c2nc3ccccc3[nH]2)[C@H]1c1ccc(F)cc1	ZINC000587327564	HJ	Annotated	Reactive	
C[C@@]1(c2cnc3[nH]cnc(Cl)c2-3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587327674	HJ	Annotated	Anodyne	
C[C@@]1(c2cnc3[nH]cnc(Cl)c2-3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587327675	HJ	Annotated	Anodyne	
C[C@]1(c2cnc3[nH]cnc(Cl)c2-3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587327676	HJ	Annotated	Anodyne	
C[C@]1(c2cnc3[nH]cnc(Cl)c2-3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587327677	HJ	Annotated	Anodyne	
Cc1cc(Cl)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2	ZINC000587327812	HJ	Annotated	Anodyne	
Cc1cc(Cl)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2	ZINC000587327815	HJ	Annotated	Anodyne	
Cc1cc(Cl)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2	ZINC000587327818	HJ	Annotated	Anodyne	
Cc1cc(Cl)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2	ZINC000587327820	HJ	Annotated	Anodyne	
Nc1cc2c(cc1Cl)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587327821	HJ	Annotated	Anodyne	
Nc1cc2c(cc1Cl)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587327826	HJ	Annotated	Anodyne	
Nc1cc2c(cc1Cl)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587327828	HJ	Annotated	Anodyne	
Nc1cc2c(cc1Cl)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587327831	HJ	Annotated	Anodyne	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587327924	HJ	Annotated	Anodyne	
Cc1c(Cl)ccc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587327925	HJ	Annotated	Anodyne	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587327926	HJ	Annotated	Anodyne	
Cc1c(Cl)ccc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587327927	HJ	Annotated	Anodyne	
C[C@]1(c2cc([N+](=O)[O-])ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587327975	HJ	Annotated	Bother	
C[C@@]1(c2cc([N+](=O)[O-])ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587327977	HJ	Annotated	Bother	
C[C@]1(c2cc([N+](=O)[O-])ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587327978	HJ	Annotated	Bother	
C[C@@]1(c2cc([N+](=O)[O-])ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587327980	HJ	Annotated	Bother	
CC(C)(C)O[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H]1Cl	ZINC000587328140	HJ	Annotated	Reactive	
CC(C)(C)O[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H]1Cl	ZINC000587328144	HJ	Annotated	Reactive	
CC(C)(C)O[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H]1Cl	ZINC000587328146	HJ	Annotated	Reactive	
CC(C)(C)O[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H]1Cl	ZINC000587328149	HJ	Annotated	Reactive	
C[C@]1(c2cc(F)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587328562	HJ	Annotated	Bother	
C[C@@]1(c2cc(F)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587328563	HJ	Annotated	Bother	
C[C@]1(c2cc(F)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587328564	HJ	Annotated	Bother	
C[C@@]1(c2cc(F)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587328565	HJ	Annotated	Bother	
N#CC[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587328715	HJ	Annotated	Mild	
N#CC[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587328716	HJ	Annotated	Mild	
N#CC[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587328718	HJ	Annotated	Mild	
N#CC[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587328720	HJ	Annotated	Mild	
C[C@]1(c2cc(F)c(O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587328722	HJ	Annotated	Anodyne	
C[C@@]1(c2cc(F)c(O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587328724	HJ	Annotated	Anodyne	
C[C@]1(c2cc(F)c(O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587328726	HJ	Annotated	Anodyne	
C[C@@]1(c2cc(F)c(O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587328728	HJ	Annotated	Anodyne	
Cc1nc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1	ZINC000587328906	HJ	Annotated	Reactive	
Cc1nc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1	ZINC000587328908	HJ	Annotated	Reactive	
Cc1nc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1	ZINC000587328910	HJ	Annotated	Reactive	
Cc1nc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1	ZINC000587328913	HJ	Annotated	Reactive	
C[C@@]1(c2c(F)c[nH]c3nccc2-3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587328994	HJ	Annotated	Anodyne	
C[C@]1(c2c(F)c[nH]c3nccc2-3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587328995	HJ	Annotated	Anodyne	
C[C@@]1(c2c(F)c[nH]c3nccc2-3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587328996	HJ	Annotated	Anodyne	
C[C@]1(c2c(F)c[nH]c3nccc2-3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587328997	HJ	Annotated	Anodyne	
C[C@]1(c2cc(F)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587329030	HJ	Annotated	Anodyne	
C[C@@]1(c2cc(F)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587329032	HJ	Annotated	Anodyne	
C[C@@]1(c2cc(F)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587329033	HJ	Annotated	Anodyne	
C[C@]1(c2cc(F)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587329035	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c3ccncc23)[C@@H]1c1ccc(F)cc1	ZINC000587329186	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c3ccncc23)[C@@H]1c1ccc(F)cc1	ZINC000587329189	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c3ccncc23)[C@H]1c1ccc(F)cc1	ZINC000587329191	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c3ccncc23)[C@H]1c1ccc(F)cc1	ZINC000587329193	HJ	Annotated	Reactive	
N#CC[C@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587329691	HJ	Annotated	Mild	
N#CC[C@@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587329694	HJ	Annotated	Mild	
N#CC[C@@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587329695	HJ	Annotated	Mild	
N#CC[C@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587329700	HJ	Annotated	Mild	
O=C1c2ccc(O)cc2O[C@@]2(CCNc3nc(Cl)ccc32)[C@@H]1c1ccc(F)cc1	ZINC000587329706	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCNc3nc(Cl)ccc32)[C@@H]1c1ccc(F)cc1	ZINC000587329707	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCNc3nc(Cl)ccc32)[C@H]1c1ccc(F)cc1	ZINC000587329710	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCNc3nc(Cl)ccc32)[C@H]1c1ccc(F)cc1	ZINC000587329715	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000587329724	HJ	Annotated	Bother	
COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000587329732	HJ	Annotated	Bother	
COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000587329737	HJ	Annotated	Bother	
COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000587329739	HJ	Annotated	Bother	
CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1N	ZINC000587329762	HJ	Annotated	Anodyne	
CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1N	ZINC000587329770	HJ	Annotated	Anodyne	
CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1N	ZINC000587329773	HJ	Annotated	Anodyne	
CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1N	ZINC000587329777	HJ	Annotated	Anodyne	
C[C@@]1(c2ncc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587329781	HJ	Annotated	Anodyne	
C[C@]1(c2ncc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587329785	HJ	Annotated	Anodyne	
C[C@]1(c2ncc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587329787	HJ	Annotated	Anodyne	
C[C@@]1(c2ncc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587329790	HJ	Annotated	Anodyne	
O=C(O)CC[C@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587329910	HJ	Annotated	Anodyne	
O=C(O)CC[C@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587329915	HJ	Annotated	Anodyne	
O=C(O)CC[C@@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587329918	HJ	Annotated	Anodyne	
O=C(O)CC[C@@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587329919	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1	ZINC000587330155	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1	ZINC000587330156	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1	ZINC000587330157	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1	ZINC000587330159	HJ	Annotated	Anodyne	
COc1ccc([C@]2([C@H](F)C#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587330170	HJ	Annotated	Mild	
COc1ccc([C@]2([C@H](F)C#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587330172	HJ	Annotated	Mild	
COc1ccc([C@]2([C@@H](F)C#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587330173	HJ	Annotated	Mild	
COc1ccc([C@]2([C@@H](F)C#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587330174	HJ	Annotated	Mild	
CCn1ncc([C@@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C	ZINC000587330239	HJ	Annotated	Anodyne	
CCn1ncc([C@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C	ZINC000587330240	HJ	Annotated	Anodyne	
CCn1ncc([C@@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C	ZINC000587330241	HJ	Annotated	Anodyne	
CCn1ncc([C@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C	ZINC000587330242	HJ	Annotated	Anodyne	
N#CC[C@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587330349	HJ	Annotated	Mild	
N#CC[C@@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587330352	HJ	Annotated	Mild	
N#CC[C@@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587330355	HJ	Annotated	Mild	
N#CC[C@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587330360	HJ	Annotated	Mild	
COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-]	ZINC000587330477	HJ	Annotated	Bother	
COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-]	ZINC000587330478	HJ	Annotated	Bother	
COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-]	ZINC000587330479	HJ	Annotated	Bother	
COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-]	ZINC000587330484	HJ	Annotated	Bother	
O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(F)cc(F)cc32)[C@@H]1c1ccc(F)cc1	ZINC000587330517	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(F)cc(F)cc32)[C@H]1c1ccc(F)cc1	ZINC000587330523	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCOc3c(F)cc(F)cc32)[C@@H]1c1ccc(F)cc1	ZINC000587330525	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCOc3c(F)cc(F)cc32)[C@H]1c1ccc(F)cc1	ZINC000587330527	HJ	Annotated	Anodyne	
Cc1ccc(Cl)c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2	ZINC000587330562	HJ	Annotated	Anodyne	
Cc1ccc(Cl)c2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2	ZINC000587330563	HJ	Annotated	Anodyne	
Cc1ccc(Cl)c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2	ZINC000587330564	HJ	Annotated	Anodyne	
Cc1ccc(Cl)c2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2	ZINC000587330565	HJ	Annotated	Anodyne	
Cc1nc(O)c(Cl)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587330590	HJ	Annotated	Anodyne	
Cc1nc(O)c(Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587330591	HJ	Annotated	Anodyne	
Cc1nc(O)c(Cl)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587330592	HJ	Annotated	Anodyne	
Cc1nc(O)c(Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587330593	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(COc3ccc(Cl)cc3C2)[C@@H]1c1ccc(F)cc1	ZINC000587330631	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(COc3ccc(Cl)cc3C2)[C@@H]1c1ccc(F)cc1	ZINC000587330644	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(COc3ccc(Cl)cc3C2)[C@H]1c1ccc(F)cc1	ZINC000587330645	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(COc3ccc(Cl)cc3C2)[C@H]1c1ccc(F)cc1	ZINC000587330646	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCOc3c(F)ccc(F)c32)[C@@H]1c1ccc(F)cc1	ZINC000587330976	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(F)ccc(F)c32)[C@H]1c1ccc(F)cc1	ZINC000587330977	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCOc3c(F)ccc(F)c32)[C@H]1c1ccc(F)cc1	ZINC000587330979	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(F)ccc(F)c32)[C@@H]1c1ccc(F)cc1	ZINC000587330980	HJ	Annotated	Anodyne	
COCC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587331016	HJ	Annotated	Anodyne	
COCC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587331019	HJ	Annotated	Anodyne	
CC(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587331043	HJ	Annotated	Anodyne	
CC(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587331044	HJ	Annotated	Anodyne	
CC(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587331045	HJ	Annotated	Anodyne	
CC(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587331046	HJ	Annotated	Anodyne	
COc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-]	ZINC000587331063	HJ	Annotated	Bother	
COc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-]	ZINC000587331064	HJ	Annotated	Bother	
COc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-]	ZINC000587331065	HJ	Annotated	Bother	
COc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-]	ZINC000587331066	HJ	Annotated	Bother	
Cc1ccc([C@]2([C@H](F)C#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587331227	HJ	Annotated	Mild	
Cc1ccc([C@]2([C@H](F)C#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587331230	HJ	Annotated	Mild	
Cc1ccc([C@]2([C@@H](F)C#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587331232	HJ	Annotated	Mild	
Cc1ccc([C@]2([C@@H](F)C#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587331234	HJ	Annotated	Mild	
C[C@@]1(c2cnc(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587331362	HJ	Annotated	Anodyne	
C[C@]1(c2cnc(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587331364	HJ	Annotated	Anodyne	
C[C@]1(c2cnc(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587331366	HJ	Annotated	Anodyne	
C[C@@]1(c2cnc(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587331368	HJ	Annotated	Anodyne	
COCC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587331458	HJ	Annotated	Anodyne	
COCC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587331459	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587331480	HJ	Annotated	Bother	
C[C@@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587331481	HJ	Annotated	Bother	
C[C@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587331482	HJ	Annotated	Bother	
C[C@@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587331483	HJ	Annotated	Bother	
O=C(O)CC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587331588	HJ	Annotated	Anodyne	
O=C(O)CC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587331590	HJ	Annotated	Anodyne	
O=C(O)CC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587331593	HJ	Annotated	Anodyne	
O=C(O)CC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587331596	HJ	Annotated	Anodyne	
N#CC[C@@H]1C[C@@H]2[C@H](CCC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)O1	ZINC000587331608	HJ	Annotated	Mild	
N#CC[C@@H]1C[C@@H]2[C@H](CCC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)O1	ZINC000587331611	HJ	Annotated	Mild	
N#CC[C@@H]1C[C@@H]2[C@H](CCC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)O1	ZINC000587331616	HJ	Annotated	Mild	
N#CC[C@@H]1C[C@@H]2[C@H](CCC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)O1	ZINC000587331621	HJ	Annotated	Mild	
Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2oc(N)nc2c1	ZINC000587331633	HJ	Annotated	Anodyne	
Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2oc(N)nc2c1	ZINC000587331637	HJ	Annotated	Anodyne	
Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2oc(N)nc2c1	ZINC000587331639	HJ	Annotated	Anodyne	
Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2oc(N)nc2c1	ZINC000587331641	HJ	Annotated	Anodyne	
C[C@]1(CC(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587331653	HJ	Annotated	Anodyne	
C[C@]1(CC(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587331654	HJ	Annotated	Anodyne	
C[C@@]1(CC(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587331655	HJ	Annotated	Anodyne	
C[C@@]1(CC(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587331656	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587331701	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587331716	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587331719	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587331724	HJ	Annotated	Anodyne	
C[C@@]1(c2oc3cccnc3c2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587331749	HJ	Annotated	Anodyne	
C[C@]1(c2oc3cccnc3c2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587331766	HJ	Annotated	Anodyne	
C[C@]1(c2oc3cccnc3c2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587331768	HJ	Annotated	Anodyne	
C[C@@]1(c2oc3cccnc3c2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587331769	HJ	Annotated	Anodyne	
Cc1nn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1Cl	ZINC000587331905	HJ	Annotated	Anodyne	
Cc1nn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1Cl	ZINC000587331907	HJ	Annotated	Anodyne	
Cc1nn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1Cl	ZINC000587331910	HJ	Annotated	Anodyne	
Cc1nn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1Cl	ZINC000587331912	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCN(c3ccc(F)cc3)C2)[C@@H]1c1ccc(F)cc1	ZINC000587332084	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCN(c3ccc(F)cc3)C2)[C@H]1c1ccc(F)cc1	ZINC000587332085	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCN(c3ccc(F)cc3)C2)[C@H]1c1ccc(F)cc1	ZINC000587332086	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCN(c3ccc(F)cc3)C2)[C@@H]1c1ccc(F)cc1	ZINC000587332087	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587332160	HJ	Annotated	Mild	
COc1cc2c(cc1F)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587332164	HJ	Annotated	Anodyne	
COc1cc2c(cc1F)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587332166	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587332167	HJ	Annotated	Mild	
COc1cc2c(cc1F)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587332168	HJ	Annotated	Anodyne	
COc1cc2c(cc1F)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587332169	HJ	Annotated	Anodyne	
COc1ccc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587332172	HJ	Annotated	Mild	
COc1ccc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587332174	HJ	Annotated	Mild	
CC(=O)c1cc(N)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587332360	HJ	Annotated	Anodyne	
CC(=O)c1cc(N)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587332368	HJ	Annotated	Anodyne	
CC(=O)c1cc(N)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587332376	HJ	Annotated	Anodyne	
CC(=O)c1cc(N)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587332381	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ncco2)[C@@H]1c1ccc(F)cc1	ZINC000587332411	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ncco2)[C@H]1c1ccc(F)cc1	ZINC000587332416	HJ	Annotated	Anodyne	
N#CC[C@]1(c2cc(Cl)ccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587332418	HJ	Annotated	Mild	
O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ncco2)[C@H]1c1ccc(F)cc1	ZINC000587332420	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ncco2)[C@@H]1c1ccc(F)cc1	ZINC000587332423	HJ	Annotated	Anodyne	
N#CC[C@@]1(c2cc(Cl)ccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587332426	HJ	Annotated	Mild	
N#CC[C@]1(c2cc(Cl)ccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587332432	HJ	Annotated	Mild	
N#CC[C@@]1(c2cc(Cl)ccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587332438	HJ	Annotated	Mild	
Cn1nc(C(F)(F)F)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587332447	HJ	Annotated	Anodyne	
Cn1nc(C(F)(F)F)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587332453	HJ	Annotated	Anodyne	
Cn1nc(C(F)(F)F)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587332456	HJ	Annotated	Anodyne	
Cn1nc(C(F)(F)F)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587332466	HJ	Annotated	Anodyne	
CCn1cc(Cl)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1	ZINC000587332476	HJ	Annotated	Anodyne	
CCn1cc(Cl)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1	ZINC000587332479	HJ	Annotated	Anodyne	
CCn1cc(Cl)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1	ZINC000587332485	HJ	Annotated	Anodyne	
CCn1cc(Cl)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1	ZINC000587332487	HJ	Annotated	Anodyne	
C[C@]1(c2cccc([N+](=O)[O-])c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587332573	HJ	Annotated	Bother	
C[C@@]1(c2cccc([N+](=O)[O-])c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587332574	HJ	Annotated	Bother	
C[C@]1(c2cccc([N+](=O)[O-])c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587332576	HJ	Annotated	Bother	
C[C@@]1(c2cccc([N+](=O)[O-])c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587332587	HJ	Annotated	Bother	
O=C1c2ccc(O)cc2O[C@]2(C(Cl)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1	ZINC000587332596	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(C(Cl)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1	ZINC000587332606	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(C(Cl)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1	ZINC000587332607	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(C(Cl)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1	ZINC000587332612	HJ	Annotated	Anodyne	
C[C@]1(Cn2ccc(C(F)(F)F)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587332628	HJ	Annotated	Anodyne	
C[C@@]1(Cn2ccc(C(F)(F)F)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587332631	HJ	Annotated	Anodyne	
C[C@@]1(Cn2ccc(C(F)(F)F)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587332634	HJ	Annotated	Anodyne	
C[C@]1(Cn2ccc(C(F)(F)F)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587332636	HJ	Annotated	Anodyne	
CC(C)Oc1ncccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587332680	HJ	Annotated	Anodyne	
CC(C)Oc1ncccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587332685	HJ	Annotated	Anodyne	
CC(C)Oc1ncccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587332688	HJ	Annotated	Anodyne	
CC(C)Oc1ncccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587332691	HJ	Annotated	Anodyne	
Cn1nc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(F)(F)F	ZINC000587332878	HJ	Annotated	Anodyne	
Cn1nc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(F)(F)F	ZINC000587332882	HJ	Annotated	Anodyne	
Cn1nc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(F)(F)F	ZINC000587332888	HJ	Annotated	Anodyne	
Cn1nc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(F)(F)F	ZINC000587332892	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2(CCN(CCC(F)(F)F)CC2)[C@H]1c1ccc(F)cc1	ZINC000587332981	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2(CCN(CCC(F)(F)F)CC2)[C@@H]1c1ccc(F)cc1	ZINC000587332983	HJ	Annotated	Anodyne	
Cc1ccccc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587333145	HJ	Annotated	Anodyne	
Cc1ccccc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587333146	HJ	Annotated	Anodyne	
Cc1ccccc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587333148	HJ	Annotated	Anodyne	
Cc1ccccc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587333149	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC(c2cccnc2)(c2cccnc2)[C@@H]1c1ccc(F)cc1	ZINC000587333299	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC(c2cccnc2)(c2cccnc2)[C@H]1c1ccc(F)cc1	ZINC000587333302	HJ	Annotated	Anodyne	
CC(C)(C)N1C[C@@H]2CC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587333327	HJ	Annotated	Anodyne	
CC(C)(C)N1C[C@@H]2CC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587333332	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(C2CCOCC2)[C@@H]1c1ccc(F)cc1	ZINC000587333335	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2cccnc2)(C2CCOCC2)[C@@H]1c1ccc(F)cc1	ZINC000587333337	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(C2CCOCC2)[C@H]1c1ccc(F)cc1	ZINC000587333340	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2cccnc2)(C2CCOCC2)[C@H]1c1ccc(F)cc1	ZINC000587333342	HJ	Annotated	Anodyne	
C[C@]1(c2cnc3ccc(Cl)nn23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587333377	HJ	Annotated	Anodyne	
N#CC[C@@H]1CC2=C(CCC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)O1	ZINC000587333384	HJ	Annotated	Mild	
N#CC[C@@H]1CC2=C(CCC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)O1	ZINC000587333385	HJ	Annotated	Mild	
C[C@@]1(c2cnc3ccc(Cl)nn23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587333386	HJ	Annotated	Anodyne	
N#CC[C@@H]1CC2=C(CCC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)O1	ZINC000587333387	HJ	Annotated	Mild	
C[C@]1(c2cnc3ccc(Cl)nn23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587333389	HJ	Annotated	Anodyne	
N#CC[C@@H]1CC2=C(CCC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)O1	ZINC000587333390	HJ	Annotated	Mild	
C[C@@]1(c2cnc3ccc(Cl)nn23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587333392	HJ	Annotated	Anodyne	
Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(C#N)=CO2	ZINC000587333526	HJ	Annotated	Reactive	
Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(C#N)=CO2	ZINC000587333530	HJ	Annotated	Reactive	
Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(C#N)=CO2	ZINC000587333531	HJ	Annotated	Reactive	
Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(C#N)=CO2	ZINC000587333533	HJ	Annotated	Reactive	
C[C@]1(COc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587333757	HJ	Annotated	Bother	
C[C@@]1(COc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587333758	HJ	Annotated	Bother	
C[C@@]1(COc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587333759	HJ	Annotated	Bother	
C[C@]1(COc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587333760	HJ	Annotated	Bother	
C[C@]1(c2ccc(F)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587333852	HJ	Annotated	Bother	
C[C@@]1(c2ccc(F)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587333855	HJ	Annotated	Bother	
C[C@]1(c2ccc(F)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587333858	HJ	Annotated	Bother	
C[C@@]1(c2ccc(F)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587333860	HJ	Annotated	Bother	
COc1cc(F)c2c(c1)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587334203	HJ	Annotated	Anodyne	
COc1cc(F)c2c(c1)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587334205	HJ	Annotated	Anodyne	
COc1cc(F)c2c(c1)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587334208	HJ	Annotated	Anodyne	
COc1cc(F)c2c(c1)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587334210	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](C(=O)Cl)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1	ZINC000587334242	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@@](C(=O)Cl)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1	ZINC000587334247	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@](C(=O)Cl)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1	ZINC000587334250	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@@](C(=O)Cl)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1	ZINC000587334252	HJ	Annotated	Reactive	
C[C@@]1(c2ncc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587334326	HJ	Annotated	Anodyne	
C[C@]1(c2ncc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587334328	HJ	Annotated	Anodyne	
C[C@]1(c2ncc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587334330	HJ	Annotated	Anodyne	
C[C@@]1(c2ncc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587334332	HJ	Annotated	Anodyne	
C[C@@]1(c2nc3ccc(F)cc3[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587334348	HJ	Annotated	Anodyne	
C[C@@]1(c2nc3ccc(F)cc3[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587334354	HJ	Annotated	Anodyne	
C[C@]1(c2nc3ccc(F)cc3[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587334360	HJ	Annotated	Anodyne	
C[C@]1(c2nc3ccc(F)cc3[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587334369	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](CCCO)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1	ZINC000587334476	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](CCCO)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1	ZINC000587334483	HJ	Annotated	Anodyne	
CCn1ncc(Cl)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587334502	HJ	Annotated	Anodyne	
COc1cc(C#N)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587334504	HJ	Annotated	Mild	
CCn1ncc(Cl)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587334505	HJ	Annotated	Anodyne	
CCn1ncc(Cl)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587334508	HJ	Annotated	Anodyne	
CCn1ncc(Cl)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587334510	HJ	Annotated	Anodyne	
COc1cc(C#N)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587334513	HJ	Annotated	Mild	
COc1cc(C#N)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587334514	HJ	Annotated	Mild	
COc1cc(C#N)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587334515	HJ	Annotated	Mild	
O=NCC1=COc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587334523	HJ	Annotated	Anodyne	
O=NCC1=COc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587334543	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(N)c1C	ZINC000587334689	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(N)c1C	ZINC000587334692	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(N)c1C	ZINC000587334694	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(N)c1C	ZINC000587334698	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](CCCO)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1	ZINC000587334858	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](CCCO)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1	ZINC000587334859	HJ	Annotated	Anodyne	
O=NCC1=COc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587334864	HJ	Annotated	Anodyne	
O=NCC1=COc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587334866	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccncc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1	ZINC000587334925	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1	ZINC000587334928	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccncc2)(c2ccccn2)[C@H]1c1ccc(F)cc1	ZINC000587334931	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(c2ccccn2)[C@H]1c1ccc(F)cc1	ZINC000587334934	HJ	Annotated	Anodyne	
COc1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl	ZINC000587335038	HJ	Annotated	Anodyne	
COc1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl	ZINC000587335052	HJ	Annotated	Anodyne	
COc1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl	ZINC000587335056	HJ	Annotated	Anodyne	
COc1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl	ZINC000587335060	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1	ZINC000587335075	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1	ZINC000587335082	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1	ZINC000587335087	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1	ZINC000587335092	HJ	Annotated	Anodyne	
COc1cc2c(cc1F)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587335106	HJ	Annotated	Anodyne	
COc1cc2c(cc1F)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587335112	HJ	Annotated	Anodyne	
COc1cc2c(cc1F)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587335117	HJ	Annotated	Anodyne	
COc1cc2c(cc1F)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587335121	HJ	Annotated	Anodyne	
CC(=O)Nc1cccc2c1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587335174	HJ	Annotated	Anodyne	
CC(=O)Nc1cccc2c1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587335182	HJ	Annotated	Anodyne	
CC(=O)Nc1cccc2c1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587335189	HJ	Annotated	Anodyne	
CC(=O)Nc1cccc2c1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587335194	HJ	Annotated	Anodyne	
O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)ccc2O1	ZINC000587335421	HJ	Annotated	Anodyne	
O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)ccc2O1	ZINC000587335423	HJ	Annotated	Anodyne	
O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)ccc2O1	ZINC000587335426	HJ	Annotated	Anodyne	
O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)ccc2O1	ZINC000587335428	HJ	Annotated	Anodyne	
COC[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587335502	HJ	Annotated	Anodyne	
COC[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587335503	HJ	Annotated	Anodyne	
C[C@]1(c2ccccc2OCC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587335555	HJ	Annotated	Mild	
C[C@]1(c2ccccc2OCC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587335557	HJ	Annotated	Mild	
C[C@@]1(c2ccccc2OCC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587335559	HJ	Annotated	Mild	
C[C@@]1(c2ccccc2OCC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587335560	HJ	Annotated	Mild	
COC[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587335658	HJ	Annotated	Anodyne	
COC[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587335660	HJ	Annotated	Anodyne	
C[C@]1(CC(=O)Nc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587335756	HJ	Annotated	Anodyne	
C[C@]1(CC(=O)Nc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587335762	HJ	Annotated	Anodyne	
C[C@@]1(CC(=O)Nc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587335763	HJ	Annotated	Anodyne	
C[C@@]1(CC(=O)Nc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587335766	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc2c(c1)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587335836	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587335839	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc2c(c1)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587335842	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587335847	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc2c(c1)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587335848	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc2c(c1)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587335852	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1	ZINC000587335919	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1	ZINC000587335925	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ccccn2)[C@H]1c1ccc(F)cc1	ZINC000587335930	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ccccn2)[C@H]1c1ccc(F)cc1	ZINC000587335938	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587336109	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587336110	HJ	Annotated	Anodyne	
Cc1ccc(Cl)c2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587336548	HJ	Annotated	Anodyne	
Cc1ccc(Cl)c2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587336552	HJ	Annotated	Anodyne	
Cc1ccc(Cl)c2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587336556	HJ	Annotated	Anodyne	
Cc1ccc(Cl)c2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587336561	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(C(=O)O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587336598	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(C(=O)O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587336603	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(C(=O)O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587336606	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(C(=O)O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587336611	HJ	Annotated	Anodyne	
Cn1ncc2c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cccc21	ZINC000587336788	HJ	Annotated	Anodyne	
Cn1ncc2c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cccc21	ZINC000587336790	HJ	Annotated	Anodyne	
Cn1ncc2c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cccc21	ZINC000587336792	HJ	Annotated	Anodyne	
Cn1ncc2c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cccc21	ZINC000587336794	HJ	Annotated	Anodyne	
CC(C)N1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587336866	HJ	Annotated	Anodyne	
CC(C)N1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587336870	HJ	Annotated	Anodyne	
CC(C)N1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587336872	HJ	Annotated	Anodyne	
CC(C)N1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587336875	HJ	Annotated	Anodyne	
COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)cc1O	ZINC000587337094	HJ	Annotated	Anodyne	
COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)cc1O	ZINC000587337112	HJ	Annotated	Anodyne	
COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)cc1O	ZINC000587337116	HJ	Annotated	Anodyne	
COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)cc1O	ZINC000587337126	HJ	Annotated	Anodyne	
C[C@]1(c2ccc([N+](=O)[O-])c(C#N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587337168	HJ	Annotated	Mild	
C[C@@]1(c2ccc([N+](=O)[O-])c(C#N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587337170	HJ	Annotated	Mild	
C[C@@]1(c2ccc([N+](=O)[O-])c(C#N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587337176	HJ	Annotated	Mild	
C[C@]1(c2ccc([N+](=O)[O-])c(C#N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587337187	HJ	Annotated	Mild	
CNc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000587337250	HJ	Annotated	Bother	
CNc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000587337267	HJ	Annotated	Bother	
CNc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000587337271	HJ	Annotated	Bother	
CNc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000587337280	HJ	Annotated	Bother	
N#CC[C@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587337322	HJ	Annotated	Mild	
N#CC[C@@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587337330	HJ	Annotated	Mild	
N#CC[C@@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587337335	HJ	Annotated	Mild	
N#CC[C@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587337337	HJ	Annotated	Mild	
C[C@]1(c2cc(F)c(N)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587337429	HJ	Annotated	Anodyne	
C[C@@]1(c2cc(F)c(N)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587337431	HJ	Annotated	Anodyne	
C[C@]1(c2cc(F)c(N)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587337437	HJ	Annotated	Anodyne	
C[C@@]1(c2cc(F)c(N)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587337439	HJ	Annotated	Anodyne	
Cn1nccc1[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587337512	HJ	Annotated	Anodyne	
Cn1nccc1[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587337516	HJ	Annotated	Anodyne	
Cn1nccc1[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587337519	HJ	Annotated	Anodyne	
Cn1nccc1[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587337522	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(C=COc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1	ZINC000587337618	HJ	Annotated	Bother	
O=C1c2ccc(O)cc2O[C@]2(C=COc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1	ZINC000587337619	HJ	Annotated	Bother	
O=C1c2ccc(O)cc2O[C@]2(C=COc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1	ZINC000587337620	HJ	Annotated	Bother	
O=C1c2ccc(O)cc2O[C@@]2(C=COc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1	ZINC000587337621	HJ	Annotated	Bother	
O=C1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(F)ccc2N1	ZINC000587337920	HJ	Annotated	Anodyne	
O=C1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(F)ccc2N1	ZINC000587337923	HJ	Annotated	Anodyne	
O=C1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(F)ccc2N1	ZINC000587337929	HJ	Annotated	Anodyne	
O=C1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(F)ccc2N1	ZINC000587337931	HJ	Annotated	Anodyne	
N#CC1=COc2ccc(F)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587337982	HJ	Annotated	Reactive	
N#CC1=COc2ccc(F)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587337988	HJ	Annotated	Reactive	
N#CC1=COc2ccc(F)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587337992	HJ	Annotated	Reactive	
N#CC1=COc2ccc(F)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587337995	HJ	Annotated	Reactive	
COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CC#N	ZINC000587338048	HJ	Annotated	Mild	
COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CC#N	ZINC000587338060	HJ	Annotated	Mild	
COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CC#N	ZINC000587338062	HJ	Annotated	Mild	
COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CC#N	ZINC000587338068	HJ	Annotated	Mild	
CC(=O)N(C)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587338071	HJ	Annotated	Anodyne	
CC(=O)N(C)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587338076	HJ	Annotated	Anodyne	
CC(=O)N(C)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587338081	HJ	Annotated	Anodyne	
CC(=O)N(C)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587338085	HJ	Annotated	Anodyne	
Cn1cc([C@@H]2C[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2(C)C)cn1	ZINC000587338406	HJ	Annotated	Anodyne	
Cn1cc([C@@H]2C[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2(C)C)cn1	ZINC000587338412	HJ	Annotated	Anodyne	
Cn1cc([C@@H]2C[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2(C)C)cn1	ZINC000587338417	HJ	Annotated	Anodyne	
Cn1cc([C@@H]2C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2(C)C)cn1	ZINC000587338420	HJ	Annotated	Anodyne	
C[C@H](C#N)C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587338458	HJ	Annotated	Mild	
C[C@H](C#N)C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587338465	HJ	Annotated	Mild	
C[C@H](C#N)C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587338467	HJ	Annotated	Mild	
C[C@H](C#N)C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587338473	HJ	Annotated	Mild	
O=C1c2ccc(O)cc2OC(c2ccccn2)(c2ccccn2)[C@@H]1c1ccc(F)cc1	ZINC000587338542	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC(c2ccccn2)(c2ccccn2)[C@H]1c1ccc(F)cc1	ZINC000587338545	HJ	Annotated	Anodyne	
CC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(N)cc2O1	ZINC000587338704	HJ	Annotated	Anodyne	
CC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(N)cc2O1	ZINC000587338707	HJ	Annotated	Anodyne	
CC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(N)cc2O1	ZINC000587338709	HJ	Annotated	Anodyne	
CC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(N)cc2O1	ZINC000587338711	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCOc3cc(F)cc(F)c32)[C@@H]1c1ccc(F)cc1	ZINC000587338740	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCOc3cc(F)cc(F)c32)[C@H]1c1ccc(F)cc1	ZINC000587338741	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc(F)cc(F)c32)[C@@H]1c1ccc(F)cc1	ZINC000587338742	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc(F)cc(F)c32)[C@H]1c1ccc(F)cc1	ZINC000587338744	HJ	Annotated	Anodyne	
CCCOc1ccccc1[C@@]1(CN)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587338783	HJ	Annotated	Anodyne	
CCCOc1ccccc1[C@]1(CN)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587338784	HJ	Annotated	Anodyne	
CCCOc1ccccc1[C@@]1(CN)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587338786	HJ	Annotated	Anodyne	
CCCOc1ccccc1[C@]1(CN)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587338788	HJ	Annotated	Anodyne	
CC(C)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587338942	HJ	Annotated	Anodyne	
CC(C)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587338943	HJ	Annotated	Anodyne	
CC(C)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587338945	HJ	Annotated	Anodyne	
CC(C)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587338948	HJ	Annotated	Anodyne	
CN(C)/C=C/[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587339086	HJ	Annotated	Anodyne	
CN(C)/C=C/[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587339088	HJ	Annotated	Anodyne	
CN(C)/C=C/[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587339090	HJ	Annotated	Anodyne	
CN(C)/C=C/[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587339094	HJ	Annotated	Anodyne	
N#CC[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587339186	HJ	Annotated	Mild	
N#CC[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587339190	HJ	Annotated	Mild	
N#CC[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587339193	HJ	Annotated	Mild	
N#CC[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587339194	HJ	Annotated	Mild	
Cn1ncc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21	ZINC000587339196	HJ	Annotated	Anodyne	
Cn1ncc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21	ZINC000587339200	HJ	Annotated	Anodyne	
Cn1ncc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21	ZINC000587339203	HJ	Annotated	Anodyne	
Cn1ncc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21	ZINC000587339204	HJ	Annotated	Anodyne	
COc1ccccc1[C@@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587339517	HJ	Annotated	Mild	
COc1ccccc1[C@@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587339520	HJ	Annotated	Mild	
COc1ccccc1[C@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587339523	HJ	Annotated	Mild	
COc1ccccc1[C@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587339524	HJ	Annotated	Mild	
CC(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587339689	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587339694	HJ	Annotated	Anodyne	
CC(C)N1C[C@@H]2CCC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587339697	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587339699	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587339701	HJ	Annotated	Anodyne	
CC(C)N1C[C@@H]2CCC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587339710	HJ	Annotated	Anodyne	
Cc1nc2ccccn2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587339969	HJ	Annotated	Anodyne	
Cc1nc2ccccn2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587339970	HJ	Annotated	Anodyne	
Cc1nc2ccccn2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587339971	HJ	Annotated	Anodyne	
Cc1nc2ccccn2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587339972	HJ	Annotated	Anodyne	
COc1cccc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587340166	HJ	Annotated	Mild	
COc1cccc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587340173	HJ	Annotated	Mild	
COc1cccc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587340176	HJ	Annotated	Mild	
COc1cccc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587340178	HJ	Annotated	Mild	
O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1	ZINC000587340331	HJ	Annotated	Bother	
O=C1c2ccc(O)cc2O[C@]2(CCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1	ZINC000587340332	HJ	Annotated	Bother	
O=C1c2ccc(O)cc2O[C@]2(CCc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1	ZINC000587340333	HJ	Annotated	Bother	
O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1	ZINC000587340334	HJ	Annotated	Bother	
C[C@]1(CC(=O)Nc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587340529	HJ	Annotated	Anodyne	
C[C@]1(CC(=O)Nc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587340533	HJ	Annotated	Anodyne	
C[C@@]1(CC(=O)Nc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587340539	HJ	Annotated	Anodyne	
C[C@@]1(CC(=O)Nc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587340540	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2([C@H]3CCC[C@H]2CN(C2CC2)C3)[C@@H]1c1ccc(F)cc1	ZINC000587340825	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2([C@H]3CCC[C@H]2CN(C2CC2)C3)[C@H]1c1ccc(F)cc1	ZINC000587340826	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ncccn2)[C@H]1c1ccc(F)cc1	ZINC000587340875	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ncccn2)[C@@H]1c1ccc(F)cc1	ZINC000587340878	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ncccn2)[C@@H]1c1ccc(F)cc1	ZINC000587340883	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ncccn2)[C@H]1c1ccc(F)cc1	ZINC000587340887	HJ	Annotated	Anodyne	
COc1ccc2c(c1F)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587340894	HJ	Annotated	Anodyne	
COc1ccc2c(c1F)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587340896	HJ	Annotated	Anodyne	
COc1ccc2c(c1F)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587340903	HJ	Annotated	Anodyne	
COc1ccc2c(c1F)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587340906	HJ	Annotated	Anodyne	
C[C@]1(CC(=O)Nc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587340909	HJ	Annotated	Anodyne	
C[C@]1(CC(=O)Nc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587340912	HJ	Annotated	Anodyne	
C[C@@]1(CC(=O)Nc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587340914	HJ	Annotated	Anodyne	
C[C@@]1(CC(=O)Nc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587340917	HJ	Annotated	Anodyne	
CCCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587340975	HJ	Annotated	Anodyne	
CCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587340979	HJ	Annotated	Anodyne	
CCCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587340986	HJ	Annotated	Anodyne	
CCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587340991	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc(C#N)cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587341099	HJ	Annotated	Mild	
C[C@H](Oc1ccc(C#N)cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587341102	HJ	Annotated	Mild	
CCc1nn(CC)c2c1[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587341103	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc(C#N)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587341109	HJ	Annotated	Mild	
CCc1nn(CC)c2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587341110	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc(C#N)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587341111	HJ	Annotated	Mild	
CCc1nn(CC)c2c1[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587341115	HJ	Annotated	Anodyne	
CCc1nn(CC)c2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587341119	HJ	Annotated	Anodyne	
CCN[C@H](C)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587341126	HJ	Annotated	Anodyne	
CCN[C@H](C)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587341128	HJ	Annotated	Anodyne	
CCN[C@H](C)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587341131	HJ	Annotated	Anodyne	
CCN[C@H](C)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587341133	HJ	Annotated	Anodyne	
N#CC(C#N)=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587341375	HJ	Annotated	Reactive	
N#CC(C#N)=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587341379	HJ	Annotated	Reactive	
N#CC(C#N)=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587341381	HJ	Annotated	Reactive	
N#CC(C#N)=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587341383	HJ	Annotated	Reactive	
CC[C@]1(CNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587341526	HJ	Annotated	Anodyne	
CC[C@@]1(CNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587341531	HJ	Annotated	Anodyne	
CC[C@]1(CNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587341533	HJ	Annotated	Anodyne	
CC[C@@]1(CNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587341535	HJ	Annotated	Anodyne	
C[C@]1(c2ccccc2-n2cccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587341544	HJ	Annotated	Anodyne	
C[C@@]1(c2ccccc2-n2cccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587341547	HJ	Annotated	Anodyne	
C[C@]1(c2ccccc2-n2cccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587341548	HJ	Annotated	Anodyne	
C[C@@]1(c2ccccc2-n2cccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587341550	HJ	Annotated	Anodyne	
Cn1ncc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c21	ZINC000587341591	HJ	Annotated	Anodyne	
Cn1ncc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c21	ZINC000587341592	HJ	Annotated	Anodyne	
Cn1ncc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c21	ZINC000587341594	HJ	Annotated	Anodyne	
Cn1ncc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c21	ZINC000587341596	HJ	Annotated	Anodyne	
CC(=O)Nc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587341662	HJ	Annotated	Anodyne	
CC(=O)Nc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587341664	HJ	Annotated	Anodyne	
CC(=O)Nc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587341685	HJ	Annotated	Anodyne	
CC(=O)Nc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587341686	HJ	Annotated	Anodyne	
CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(N)ccc2O1	ZINC000587341712	HJ	Annotated	Anodyne	
CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(N)ccc2O1	ZINC000587341715	HJ	Annotated	Anodyne	
CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(N)ccc2O1	ZINC000587341717	HJ	Annotated	Anodyne	
CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(N)ccc2O1	ZINC000587341720	HJ	Annotated	Anodyne	
CN(C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000587341805	HJ	Annotated	Anodyne	
CN(C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000587341807	HJ	Annotated	Anodyne	
CN(C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000587341808	HJ	Annotated	Anodyne	
CN(C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000587341809	HJ	Annotated	Anodyne	
Cc1ccc2nc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cn2c1	ZINC000587341815	HJ	Annotated	Anodyne	
Cc1ccc2nc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cn2c1	ZINC000587341817	HJ	Annotated	Anodyne	
Cc1ccc2nc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cn2c1	ZINC000587341819	HJ	Annotated	Anodyne	
Cc1ccc2nc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cn2c1	ZINC000587341821	HJ	Annotated	Anodyne	
C[C@H](N(C)C)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587341840	HJ	Annotated	Anodyne	
C[C@H](N(C)C)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587341842	HJ	Annotated	Anodyne	
C[C@H](N(C)C)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587341844	HJ	Annotated	Anodyne	
C[C@H](N(C)C)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587341845	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(OCC#N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587341883	HJ	Annotated	Mild	
C[C@]1(c2ccc(OCC#N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587341884	HJ	Annotated	Mild	
C[C@@]1(c2ccc(OCC#N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587341885	HJ	Annotated	Mild	
C[C@@]1(c2ccc(OCC#N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587341886	HJ	Annotated	Mild	
C/C(=C\[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C	ZINC000587341964	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C	ZINC000587341968	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N(C)C	ZINC000587341970	HJ	Annotated	Anodyne	
C/C(=C\[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N(C)C	ZINC000587341972	HJ	Annotated	Anodyne	
Cn1cc2c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cccc2n1	ZINC000587341983	HJ	Annotated	Anodyne	
Cn1cc2c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cccc2n1	ZINC000587341984	HJ	Annotated	Anodyne	
Cn1cc2c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cccc2n1	ZINC000587341985	HJ	Annotated	Anodyne	
Cn1cc2c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cccc2n1	ZINC000587341986	HJ	Annotated	Anodyne	
Cn1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1	ZINC000587342011	HJ	Annotated	Anodyne	
Cn1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1	ZINC000587342013	HJ	Annotated	Anodyne	
Cn1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1	ZINC000587342016	HJ	Annotated	Anodyne	
Cn1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1	ZINC000587342017	HJ	Annotated	Anodyne	
Cn1cc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2n1	ZINC000587342289	HJ	Annotated	Anodyne	
Cn1cc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2n1	ZINC000587342290	HJ	Annotated	Anodyne	
Cn1cc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2n1	ZINC000587342292	HJ	Annotated	Anodyne	
Cn1cc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2n1	ZINC000587342293	HJ	Annotated	Anodyne	
C[C@]1(c2cccc(N3CCC3=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587342346	HJ	Annotated	Anodyne	
C[C@@]1(c2cccc(N3CCC3=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587342351	HJ	Annotated	Anodyne	
C[C@]1(c2cccc(N3CCC3=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587342355	HJ	Annotated	Anodyne	
C[C@@]1(c2cccc(N3CCC3=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587342356	HJ	Annotated	Anodyne	
Cn1cc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2n1	ZINC000587342464	HJ	Annotated	Anodyne	
Cn1cc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2n1	ZINC000587342465	HJ	Annotated	Anodyne	
Cn1cc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2n1	ZINC000587342467	HJ	Annotated	Anodyne	
Cn1cc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2n1	ZINC000587342469	HJ	Annotated	Anodyne	
Cn1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc2ccccc21	ZINC000587342579	HJ	Annotated	Anodyne	
Cn1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc2ccccc21	ZINC000587342582	HJ	Annotated	Anodyne	
Cn1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc2ccccc21	ZINC000587342609	HJ	Annotated	Anodyne	
Cn1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc2ccccc21	ZINC000587342610	HJ	Annotated	Anodyne	
C[C@]1(c2ccccc2-n2ccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587342615	HJ	Annotated	Anodyne	
C[C@@]1(c2ccccc2-n2ccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587342616	HJ	Annotated	Anodyne	
C[C@]1(c2ccccc2-n2ccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587342617	HJ	Annotated	Anodyne	
C[C@@]1(c2ccccc2-n2ccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587342618	HJ	Annotated	Anodyne	
C[C@]1(c2cnn(-c3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587342748	HJ	Annotated	Anodyne	
C[C@@]1(c2cnn(-c3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587342750	HJ	Annotated	Anodyne	
C[C@]1(c2cnn(-c3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587342751	HJ	Annotated	Anodyne	
C[C@@]1(c2cnn(-c3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587342753	HJ	Annotated	Anodyne	
Cn1cccc1C1(c2cccn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587343015	HJ	Annotated	Anodyne	
Cn1cccc1C1(c2cccn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587343016	HJ	Annotated	Anodyne	
CCC[C@]1(c2c[nH]c(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587343046	HJ	Annotated	Anodyne	
CCC[C@]1(c2c[nH]c(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587343047	HJ	Annotated	Anodyne	
CCC[C@@]1(c2c[nH]c(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587343053	HJ	Annotated	Anodyne	
CCC[C@@]1(c2c[nH]c(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587343054	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](Cn2ccnc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1	ZINC000587343064	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](Cn2ccnc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1	ZINC000587343070	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](Cn2ccnc2)(c2ccccc2)[C@H]1c1ccc(F)cc1	ZINC000587343071	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](Cn2ccnc2)(c2ccccc2)[C@H]1c1ccc(F)cc1	ZINC000587343073	HJ	Annotated	Anodyne	
Cn1ccnc1[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587343089	HJ	Annotated	Anodyne	
Cn1ccnc1[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587343091	HJ	Annotated	Anodyne	
Cn1ccnc1[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587343094	HJ	Annotated	Anodyne	
Cn1ccnc1[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587343099	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2(c3ncccc3-c3cccnc32)[C@H]1c1ccc(F)cc1	ZINC000587343422	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2(c3ncccc3-c3cccnc32)[C@@H]1c1ccc(F)cc1	ZINC000587343428	HJ	Annotated	Anodyne	
CC(C)n1ncc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587343431	HJ	Annotated	Anodyne	
CC(C)n1ncc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587343433	HJ	Annotated	Anodyne	
CC(C)n1ncc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587343435	HJ	Annotated	Anodyne	
C[C@]1(c2cnc3cccnc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587343437	HJ	Annotated	Anodyne	
CC(C)n1ncc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587343438	HJ	Annotated	Anodyne	
C[C@]1(c2cnc3cccnc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587343441	HJ	Annotated	Anodyne	
C[C@@]1(c2cnc3cccnc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587343444	HJ	Annotated	Anodyne	
C[C@@]1(c2cnc3cccnc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587343446	HJ	Annotated	Anodyne	
Cn1cc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2n1	ZINC000587343459	HJ	Annotated	Anodyne	
Cn1cc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2n1	ZINC000587343460	HJ	Annotated	Anodyne	
Cn1cc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2n1	ZINC000587343461	HJ	Annotated	Anodyne	
Cn1cc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2n1	ZINC000587343463	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCc3c([N+](=O)[O-])cccc32)[C@@H]1c1ccc(F)cc1	ZINC000587343480	HJ	Annotated	Bother	
O=C1c2ccc(O)cc2O[C@]2(CCc3c([N+](=O)[O-])cccc32)[C@@H]1c1ccc(F)cc1	ZINC000587343482	HJ	Annotated	Bother	
O=C1c2ccc(O)cc2O[C@]2(CCc3c([N+](=O)[O-])cccc32)[C@H]1c1ccc(F)cc1	ZINC000587343485	HJ	Annotated	Bother	
O=C1c2ccc(O)cc2O[C@@]2(CCc3c([N+](=O)[O-])cccc32)[C@H]1c1ccc(F)cc1	ZINC000587343487	HJ	Annotated	Bother	
CC(=O)c1c(C)[nH]c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C	ZINC000587343643	HJ	Annotated	Anodyne	
CC(=O)c1c(C)[nH]c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C	ZINC000587343645	HJ	Annotated	Anodyne	
CC(=O)c1c(C)[nH]c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C	ZINC000587343647	HJ	Annotated	Anodyne	
CC(=O)c1c(C)[nH]c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C	ZINC000587343650	HJ	Annotated	Anodyne	
Cc1cnc2[nH]cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1	ZINC000587343742	HJ	Annotated	Anodyne	
Cc1cnc2[nH]cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1	ZINC000587343746	HJ	Annotated	Anodyne	
Cc1cnc2[nH]cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1	ZINC000587343748	HJ	Annotated	Anodyne	
Cc1cnc2[nH]cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1	ZINC000587343750	HJ	Annotated	Anodyne	
CCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587343761	HJ	Annotated	Anodyne	
CCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587343764	HJ	Annotated	Anodyne	
CCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587343765	HJ	Annotated	Anodyne	
CCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587343768	HJ	Annotated	Anodyne	
CCc1noc(C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)n1	ZINC000587343800	HJ	Annotated	Anodyne	
CCc1noc(C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)n1	ZINC000587343802	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](CC)[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587343944	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](CC)[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587343947	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](CC)[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587343949	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](CC)[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587343950	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587343958	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587343959	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587343961	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587343962	HJ	Annotated	Anodyne	
CCCCOC(=O)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587343963	HJ	Annotated	Anodyne	
CCCCOC(=O)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587343964	HJ	Annotated	Anodyne	
CCCCOC(=O)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587343965	HJ	Annotated	Anodyne	
CCCCOC(=O)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587343966	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CC2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587343967	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CC2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587343968	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CC2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587343969	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CC2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587343970	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccncn2)[C@@H]1c1ccc(F)cc1	ZINC000587343992	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccncn2)[C@@H]1c1ccc(F)cc1	ZINC000587343993	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccncn2)[C@H]1c1ccc(F)cc1	ZINC000587343995	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccncn2)[C@H]1c1ccc(F)cc1	ZINC000587343997	HJ	Annotated	Anodyne	
Cc1ccc2nc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[nH]c2c1	ZINC000587344063	HJ	Annotated	Anodyne	
Cc1ccc2nc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[nH]c2c1	ZINC000587344065	HJ	Annotated	Anodyne	
Cc1ccc2nc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[nH]c2c1	ZINC000587344067	HJ	Annotated	Anodyne	
Cc1ccc2nc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[nH]c2c1	ZINC000587344069	HJ	Annotated	Anodyne	
CCOC(=O)CC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587344089	HJ	Annotated	Anodyne	
CCOC(=O)CC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587344091	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587344583	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587344585	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587344590	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587344593	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2(c3cccnc3-c3ncccc32)[C@H]1c1ccc(F)cc1	ZINC000587344608	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2(c3cccnc3-c3ncccc32)[C@@H]1c1ccc(F)cc1	ZINC000587344609	HJ	Annotated	Anodyne	
C[C@]1(c2ccc3nc(O)oc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587344618	HJ	Annotated	Anodyne	
C[C@]1(c2ccc3nc(O)oc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587344621	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc3nc(O)oc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587344623	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc3nc(O)oc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587344624	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(-n3ccnc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587344657	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(-n3ccnc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587344659	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(-n3ccnc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587344660	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(-n3ccnc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587344661	HJ	Annotated	Anodyne	
C[C@]1(c2ccnn2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587344662	HJ	Annotated	Anodyne	
C[C@@]1(c2ccnn2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587344663	HJ	Annotated	Anodyne	
C[C@]1(c2ccnn2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587344664	HJ	Annotated	Anodyne	
C[C@@]1(c2ccnn2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587344665	HJ	Annotated	Anodyne	
CCn1ncc([C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C	ZINC000587344726	HJ	Annotated	Anodyne	
CCn1ncc([C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C	ZINC000587344728	HJ	Annotated	Anodyne	
CCn1ncc([C@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C	ZINC000587344729	HJ	Annotated	Anodyne	
CCn1ncc([C@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C	ZINC000587344730	HJ	Annotated	Anodyne	
CCOC(=O)C1(C)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587345033	HJ	Annotated	Anodyne	
CCOC(=O)C1(C)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587345035	HJ	Annotated	Anodyne	
CC(=O)c1[nH]c(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C	ZINC000587345036	HJ	Annotated	Anodyne	
CC(=O)c1[nH]c(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C	ZINC000587345038	HJ	Annotated	Anodyne	
CC(=O)c1[nH]c(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C	ZINC000587345040	HJ	Annotated	Anodyne	
CC(=O)c1[nH]c(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C	ZINC000587345041	HJ	Annotated	Anodyne	
C[C@]1(c2ccc3[nH]c(O)cc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587345057	HJ	Annotated	Anodyne	
C[C@]1(c2ccc3[nH]c(O)cc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587345060	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc3[nH]c(O)cc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587345062	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc3[nH]c(O)cc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587345064	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@@H]2Cn2cncn2)[C@@H]1c1ccc(F)cc1	ZINC000587345126	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@H]2Cn2cncn2)[C@H]1c1ccc(F)cc1	ZINC000587345128	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@@H]2Cn2cncn2)[C@H]1c1ccc(F)cc1	ZINC000587345131	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@H]2Cn2cncn2)[C@@H]1c1ccc(F)cc1	ZINC000587345134	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(-n3cccn3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587345162	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(-n3cccn3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587345164	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(-n3cccn3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587345166	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(-n3cccn3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587345170	HJ	Annotated	Anodyne	
Cn1ncc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21	ZINC000587345236	HJ	Annotated	Anodyne	
Cn1ncc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21	ZINC000587345237	HJ	Annotated	Anodyne	
Cn1ncc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21	ZINC000587345238	HJ	Annotated	Anodyne	
Cn1ncc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21	ZINC000587345239	HJ	Annotated	Anodyne	
COC(=O)c1[nH]c(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C	ZINC000587345276	HJ	Annotated	Anodyne	
COC(=O)c1[nH]c(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C	ZINC000587345277	HJ	Annotated	Anodyne	
COC(=O)c1[nH]c(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C	ZINC000587345278	HJ	Annotated	Anodyne	
COC(=O)c1[nH]c(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C	ZINC000587345279	HJ	Annotated	Anodyne	
Cc1[nH]nc2c1[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587345300	HJ	Annotated	Anodyne	
Cc1[nH]nc2c1[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587345301	HJ	Annotated	Anodyne	
Cc1[nH]nc2c1[C@@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587345302	HJ	Annotated	Anodyne	
Cc1[nH]nc2c1[C@@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587345303	HJ	Annotated	Anodyne	
Cn1nc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587345343	HJ	Annotated	Anodyne	
Cn1nc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587345346	HJ	Annotated	Anodyne	
Cn1nc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587345349	HJ	Annotated	Anodyne	
Cn1nc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587345350	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2c2cncnc2)[C@@H]1c1ccc(F)cc1	ZINC000587345648	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2c2cncnc2)[C@@H]1c1ccc(F)cc1	ZINC000587345649	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2c2cncnc2)[C@H]1c1ccc(F)cc1	ZINC000587345650	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2c2cncnc2)[C@H]1c1ccc(F)cc1	ZINC000587345651	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2CCCCN2)[C@@H]1c1ccc(F)cc1	ZINC000587345656	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2CCCCN2)[C@@H]1c1ccc(F)cc1	ZINC000587345657	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2CCCCN2)[C@H]1c1ccc(F)cc1	ZINC000587345658	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2CCCCN2)[C@H]1c1ccc(F)cc1	ZINC000587345659	HJ	Annotated	Anodyne	
C#CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587345756	HJ	Annotated	Mild	
C#CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587345759	HJ	Annotated	Mild	
C#CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587345760	HJ	Annotated	Mild	
C#CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587345761	HJ	Annotated	Mild	
COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)cc1O	ZINC000587345891	HJ	Annotated	Anodyne	
COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)cc1O	ZINC000587345893	HJ	Annotated	Anodyne	
COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)cc1O	ZINC000587345894	HJ	Annotated	Anodyne	
COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)cc1O	ZINC000587345895	HJ	Annotated	Anodyne	
COc1cc(OC)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587345903	HJ	Annotated	Anodyne	
COc1cc(OC)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587345905	HJ	Annotated	Anodyne	
COc1cc(OC)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587345907	HJ	Annotated	Anodyne	
COc1cc(OC)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587345908	HJ	Annotated	Anodyne	
CC1(C)Cc2nc(O)ccc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587345931	HJ	Annotated	Anodyne	
CC1(C)Cc2nc(O)ccc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587345939	HJ	Annotated	Anodyne	
COCOc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587345941	HJ	Annotated	Anodyne	
COCOc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587345942	HJ	Annotated	Anodyne	
CC1(C)Cc2nc(O)ccc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587345943	HJ	Annotated	Anodyne	
COCOc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587345945	HJ	Annotated	Anodyne	
COCOc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587345946	HJ	Annotated	Anodyne	
CC1(C)Cc2nc(O)ccc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587345947	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCN2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587346033	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCN2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587346037	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCN2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587346040	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCN2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587346043	HJ	Annotated	Anodyne	
CCC[C@]1([C@@H](CC)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587346060	HJ	Annotated	Anodyne	
CCC[C@]1([C@@H](CC)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587346063	HJ	Annotated	Anodyne	
CCC[C@]1([C@H](CC)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587346066	HJ	Annotated	Anodyne	
CCC[C@]1([C@H](CC)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587346068	HJ	Annotated	Anodyne	
CC(C)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2	ZINC000587346233	HJ	Annotated	Anodyne	
CC(C)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2	ZINC000587346234	HJ	Annotated	Anodyne	
CC(C)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2	ZINC000587346235	HJ	Annotated	Anodyne	
CC(C)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2	ZINC000587346236	HJ	Annotated	Anodyne	
CC(=O)Oc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587346431	HJ	Annotated	Anodyne	
CC(=O)Oc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587346436	HJ	Annotated	Anodyne	
CC(=O)Oc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587346439	HJ	Annotated	Anodyne	
CC(=O)Oc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587346443	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(c3ncc[nH]3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587346489	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(c3ncc[nH]3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587346494	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(c3ncc[nH]3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587346497	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(c3ncc[nH]3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587346500	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@H](C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587346584	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@H](C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587346585	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@H](C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587346587	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@H](C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587346588	HJ	Annotated	Anodyne	
CCOC(=O)C1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CCCC1	ZINC000587346654	HJ	Annotated	Anodyne	
CCOC(=O)C1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCCC1	ZINC000587346656	HJ	Annotated	Anodyne	
CCOC(=O)C1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CCCC1	ZINC000587346659	HJ	Annotated	Anodyne	
CCOC(=O)C1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCCC1	ZINC000587346660	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cncnc2)[C@@H]1c1ccc(F)cc1	ZINC000587346724	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cncnc2)[C@@H]1c1ccc(F)cc1	ZINC000587346726	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cncnc2)[C@H]1c1ccc(F)cc1	ZINC000587346727	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cncnc2)[C@H]1c1ccc(F)cc1	ZINC000587346730	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC(c2ccncc2)(c2ccncc2)[C@@H]1c1ccc(F)cc1	ZINC000587346832	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC(c2ccncc2)(c2ccncc2)[C@H]1c1ccc(F)cc1	ZINC000587346834	HJ	Annotated	Anodyne	
COc1cc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O	ZINC000587346894	HJ	Annotated	Anodyne	
COc1cc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O	ZINC000587346895	HJ	Annotated	Anodyne	
COc1cc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O	ZINC000587346898	HJ	Annotated	Anodyne	
COc1cc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O	ZINC000587346900	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(CC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587347024	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(CC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587347025	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(CC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587347026	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(CC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587347027	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2(CCN(Cc3ccco3)CC2)[C@@H]1c1ccc(F)cc1	ZINC000587347170	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2(CCN(Cc3ccco3)CC2)[C@H]1c1ccc(F)cc1	ZINC000587347175	HJ	Annotated	Anodyne	
CN1CCC[C@@H]1[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587347205	HJ	Annotated	Anodyne	
CN1CCC[C@@H]1[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587347209	HJ	Annotated	Anodyne	
CN1CCC[C@@H]1[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587347210	HJ	Annotated	Anodyne	
CN1CCC[C@@H]1[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587347211	HJ	Annotated	Anodyne	
CCOC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc1C	ZINC000587347376	HJ	Annotated	Anodyne	
CCOC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc1C	ZINC000587347378	HJ	Annotated	Anodyne	
CCOC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc1C	ZINC000587347380	HJ	Annotated	Anodyne	
CCOC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc1C	ZINC000587347382	HJ	Annotated	Anodyne	
Cc1noc(C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)n1	ZINC000587347626	HJ	Annotated	Anodyne	
Cc1noc(C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)n1	ZINC000587347629	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2CCNCC2)[C@H]1c1ccc(F)cc1	ZINC000587347630	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2CCNCC2)[C@@H]1c1ccc(F)cc1	ZINC000587347634	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2CCNCC2)[C@H]1c1ccc(F)cc1	ZINC000587347635	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2CCNCC2)[C@@H]1c1ccc(F)cc1	ZINC000587347637	HJ	Annotated	Anodyne	
C[C@H](Oc1ccccc1O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587347695	HJ	Annotated	Anodyne	
C[C@H](Oc1ccccc1O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587347697	HJ	Annotated	Anodyne	
C[C@H](Oc1ccccc1O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587347699	HJ	Annotated	Anodyne	
C[C@H](Oc1ccccc1O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587347700	HJ	Annotated	Anodyne	
COc1ccc2c(c1)NCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587347712	HJ	Annotated	Anodyne	
COc1ccc2c(c1)NCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587347716	HJ	Annotated	Anodyne	
COc1ccc2c(c1)NCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587347719	HJ	Annotated	Anodyne	
COc1ccc2c(c1)NCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587347722	HJ	Annotated	Anodyne	
COC(=O)c1coc2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587347898	HJ	Annotated	Anodyne	
COC(=O)c1coc2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587347902	HJ	Annotated	Anodyne	
COC(=O)c1coc2c1[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587347903	HJ	Annotated	Anodyne	
COC(=O)c1coc2c1[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587347906	HJ	Annotated	Anodyne	
Cc1c(C(=O)O)oc2c1[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587347983	HJ	Annotated	Anodyne	
Cc1c(C(=O)O)oc2c1[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587347987	HJ	Annotated	Anodyne	
Cc1c(C(=O)O)oc2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587347989	HJ	Annotated	Anodyne	
Cc1c(C(=O)O)oc2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587347992	HJ	Annotated	Anodyne	
COC(=O)c1ccc2c(c1)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587348078	HJ	Annotated	Anodyne	
COC(=O)c1ccc2c(c1)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587348083	HJ	Annotated	Anodyne	
COC(=O)c1ccc2c(c1)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587348086	HJ	Annotated	Anodyne	
COC(=O)c1ccc2c(c1)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587348089	HJ	Annotated	Anodyne	
C[C@@H]1C[C@]2(CN1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587348316	HJ	Annotated	Anodyne	
C[C@@H]1C[C@@]2(CN1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587348319	HJ	Annotated	Anodyne	
C[C@@H]1C[C@]2(CN1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587348321	HJ	Annotated	Anodyne	
C[C@@H]1C[C@@]2(CN1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587348323	HJ	Annotated	Anodyne	
COc1ccc(N2CC[C@]3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1	ZINC000587348326	HJ	Annotated	Clean	
COc1ccc(N2CC[C@@]3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1	ZINC000587348328	HJ	Annotated	Clean	
CCOC(=O)C[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587348330	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587348332	HJ	Annotated	Anodyne	
COc1ccc(N2CC[C@]3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1	ZINC000587348334	HJ	Annotated	Clean	
CCOC(=O)C[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587348335	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587348337	HJ	Annotated	Anodyne	
COc1ccc(N2CC[C@@]3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1	ZINC000587348339	HJ	Annotated	Clean	
C[C@@H]1CN(Cc2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587348424	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587348429	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587348432	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587348434	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2(CCN(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1	ZINC000587348480	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2(CCN(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1	ZINC000587348481	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccco2)(c2ccco2)[C@@H]1c1ccc(F)cc1	ZINC000587348514	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccco2)(c2ccco2)[C@H]1c1ccc(F)cc1	ZINC000587348516	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](C(=O)c2ccco2)(c2ccco2)[C@H]1c1ccc(F)cc1	ZINC000587348518	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](C(=O)c2ccco2)(c2ccco2)[C@@H]1c1ccc(F)cc1	ZINC000587348520	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587348555	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587348558	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587348560	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587348562	HJ	Annotated	Anodyne	
C[C@H](C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O	ZINC000587348595	HJ	Annotated	Anodyne	
C[C@H](C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O	ZINC000587348598	HJ	Annotated	Anodyne	
C[C@H](C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O	ZINC000587348599	HJ	Annotated	Anodyne	
C[C@H](C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O	ZINC000587348602	HJ	Annotated	Anodyne	
COc1ccc(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587348833	HJ	Annotated	Anodyne	
COc1ccc(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587348836	HJ	Annotated	Anodyne	
COc1ccc(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587348842	HJ	Annotated	Anodyne	
COc1ccc(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587348845	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(O)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587348889	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(O)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587348896	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(O)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587348902	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(O)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587348907	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1([C@H](C)CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587349030	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1([C@@H](C)CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587349031	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1([C@@H](C)CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587349033	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1([C@H](C)CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587349035	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587349111	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587349114	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587349116	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587349118	HJ	Annotated	Anodyne	
C[C@H](O)[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587349250	HJ	Annotated	Anodyne	
C[C@H](O)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587349255	HJ	Annotated	Anodyne	
C[C@H](O)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587349256	HJ	Annotated	Anodyne	
C[C@H](O)[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587349259	HJ	Annotated	Anodyne	
COc1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC	ZINC000587349654	HJ	Annotated	Anodyne	
COc1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC	ZINC000587349662	HJ	Annotated	Anodyne	
COc1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC	ZINC000587349665	HJ	Annotated	Anodyne	
COc1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC	ZINC000587349672	HJ	Annotated	Anodyne	
C[C@]1(CC(=O)OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587349698	HJ	Annotated	Anodyne	
C[C@@]1(CC(=O)OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587349702	HJ	Annotated	Anodyne	
C[C@]1(CC(=O)OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587349707	HJ	Annotated	Anodyne	
C[C@@]1(CC(=O)OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587349710	HJ	Annotated	Anodyne	
CCC[C@]1([C@H](C)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587349888	HJ	Annotated	Anodyne	
CCC[C@]1([C@@H](C)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587349890	HJ	Annotated	Anodyne	
CCC[C@]1([C@@H](C)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587349892	HJ	Annotated	Anodyne	
CCC[C@]1([C@H](C)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587349895	HJ	Annotated	Anodyne	
Cc1ccc(C(=O)O)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587350007	HJ	Annotated	Anodyne	
Cc1ccc(C(=O)O)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587350014	HJ	Annotated	Anodyne	
Cc1ccc(C(=O)O)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587350022	HJ	Annotated	Anodyne	
Cc1ccc(C(=O)O)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587350029	HJ	Annotated	Anodyne	
CCCc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2	ZINC000587350074	HJ	Annotated	Anodyne	
CCCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2	ZINC000587350081	HJ	Annotated	Anodyne	
CCCc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2	ZINC000587350087	HJ	Annotated	Anodyne	
CCCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2	ZINC000587350093	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(C(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587350136	HJ	Annotated	Anodyne	
COc1cc(CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O	ZINC000587350140	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(C(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587350142	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(C(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587350144	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(C(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587350151	HJ	Annotated	Anodyne	
COc1cc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O	ZINC000587350153	HJ	Annotated	Anodyne	
COc1cc(CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O	ZINC000587350162	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](C)C1	ZINC000587350165	HJ	Annotated	Anodyne	
COc1cc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O	ZINC000587350167	HJ	Annotated	Anodyne	
COc1ccccc1N1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587350170	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](C)C1	ZINC000587350174	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](C)C1	ZINC000587350179	HJ	Annotated	Anodyne	
COc1ccccc1N1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587350180	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](C)C1	ZINC000587350186	HJ	Annotated	Anodyne	
COc1ccccc1N1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587350187	HJ	Annotated	Anodyne	
COc1ccccc1N1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587350192	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccncc2)(C2CCOCC2)[C@@H]1c1ccc(F)cc1	ZINC000587350268	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(C2CCOCC2)[C@@H]1c1ccc(F)cc1	ZINC000587350274	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccncc2)(C2CCOCC2)[C@H]1c1ccc(F)cc1	ZINC000587350278	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(C2CCOCC2)[C@H]1c1ccc(F)cc1	ZINC000587350283	HJ	Annotated	Anodyne	
Cc1oc2c(c1C(=O)O)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587350517	HJ	Annotated	Anodyne	
Cc1oc2c(c1C(=O)O)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587350520	HJ	Annotated	Anodyne	
Cc1oc2c(c1C(=O)O)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587350524	HJ	Annotated	Anodyne	
Cc1oc2c(c1C(=O)O)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587350525	HJ	Annotated	Anodyne	
C[C@]1(c2cnc3ccccc3n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587350578	HJ	Annotated	Anodyne	
C[C@]1(c2cnc3ccccc3n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587350579	HJ	Annotated	Anodyne	
C[C@@]1(c2cnc3ccccc3n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587350580	HJ	Annotated	Anodyne	
C[C@@]1(c2cnc3ccccc3n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587350581	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1	ZINC000587350606	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1	ZINC000587350607	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1	ZINC000587350608	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1	ZINC000587350609	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC	ZINC000587350635	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC	ZINC000587350636	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC	ZINC000587350637	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC	ZINC000587350638	HJ	Annotated	Anodyne	
COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(O)c1OC	ZINC000587350782	HJ	Annotated	Anodyne	
COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(O)c1OC	ZINC000587350786	HJ	Annotated	Anodyne	
COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(O)c1OC	ZINC000587350795	HJ	Annotated	Anodyne	
COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(O)c1OC	ZINC000587350800	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1	ZINC000587350932	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1	ZINC000587350936	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1	ZINC000587350937	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1	ZINC000587350940	HJ	Annotated	Anodyne	
CCCCOC(=O)[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587350946	HJ	Annotated	Anodyne	
CCCCOC(=O)[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587350949	HJ	Annotated	Anodyne	
CCCCOC(=O)[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587350951	HJ	Annotated	Anodyne	
CCCCOC(=O)[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587350956	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587350959	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587350963	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587350967	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587350970	HJ	Annotated	Anodyne	
CCC[C@H](C)OC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587350975	HJ	Annotated	Anodyne	
CCC[C@H](C)OC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587350983	HJ	Annotated	Anodyne	
CCC[C@H](C)OC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587350990	HJ	Annotated	Anodyne	
CCC[C@H](C)OC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587350995	HJ	Annotated	Anodyne	
Cc1oc(CCC(=O)O)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351050	HJ	Annotated	Anodyne	
Cc1oc(CCC(=O)O)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351056	HJ	Annotated	Anodyne	
Cc1oc(CCC(=O)O)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351060	HJ	Annotated	Anodyne	
Cc1oc(CCC(=O)O)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351063	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2cnoc2)(c2ccccc2O)[C@@H]1c1ccc(F)cc1	ZINC000587351204	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2cnoc2)(c2ccccc2O)[C@H]1c1ccc(F)cc1	ZINC000587351205	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2cnoc2)(c2ccccc2O)[C@H]1c1ccc(F)cc1	ZINC000587351206	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2cnoc2)(c2ccccc2O)[C@@H]1c1ccc(F)cc1	ZINC000587351207	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2CCCNC2)[C@@H]1c1ccc(F)cc1	ZINC000587351248	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2CCCNC2)[C@H]1c1ccc(F)cc1	ZINC000587351249	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2CCCNC2)[C@@H]1c1ccc(F)cc1	ZINC000587351250	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2CCCNC2)[C@H]1c1ccc(F)cc1	ZINC000587351251	HJ	Annotated	Anodyne	
CCOC(=O)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587351266	HJ	Annotated	Anodyne	
CCOC(=O)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587351267	HJ	Annotated	Anodyne	
CCOC(=O)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587351268	HJ	Annotated	Anodyne	
CCOC(=O)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587351269	HJ	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351309	HJ	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351313	HJ	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351314	HJ	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351317	HJ	Annotated	Anodyne	
C[C@H](CCCCC(=O)O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351331	HJ	Annotated	Anodyne	
C[C@H](CCCCC(=O)O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351333	HJ	Annotated	Anodyne	
C[C@H](CCCCC(=O)O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351334	HJ	Annotated	Anodyne	
C[C@H](CCCCC(=O)O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351337	HJ	Annotated	Anodyne	
CCCC[C@]1(CC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351361	HJ	Annotated	Anodyne	
CCCC[C@@]1(CC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351363	HJ	Annotated	Anodyne	
CCCC[C@@]1(CC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351365	HJ	Annotated	Anodyne	
CCCC[C@]1(CC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351366	HJ	Annotated	Anodyne	
CC1(C)CC(=O)C(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)C1	ZINC000587351462	HJ	Annotated	Anodyne	
CC1(C)CC(=O)C(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)C1	ZINC000587351468	HJ	Annotated	Anodyne	
CC1(C)CC(=O)C(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)C1	ZINC000587351472	HJ	Annotated	Anodyne	
CC1(C)CC(=O)C(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)C1	ZINC000587351476	HJ	Annotated	Anodyne	
CC1(C)[C@@H](CC(=O)O)C[C@H]1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351690	HJ	Annotated	Anodyne	
CC1(C)[C@@H](CC(=O)O)C[C@H]1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351692	HJ	Annotated	Anodyne	
CC1(C)[C@@H](CC(=O)O)C[C@H]1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351695	HJ	Annotated	Anodyne	
CC1(C)[C@@H](CC(=O)O)C[C@H]1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351697	HJ	Annotated	Anodyne	
C[C@]1(CCc2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351701	HJ	Annotated	Clean	
C[C@]1(CCc2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351704	HJ	Annotated	Clean	
C[C@@]1(CCc2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351708	HJ	Annotated	Clean	
C[C@@]1(CCc2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351710	HJ	Annotated	Clean	
O=C1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2N1	ZINC000587351903	HJ	Annotated	Anodyne	
O=C1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2N1	ZINC000587351904	HJ	Annotated	Anodyne	
O=C1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2N1	ZINC000587351906	HJ	Annotated	Anodyne	
O=C1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2N1	ZINC000587351908	HJ	Annotated	Anodyne	
CCCCC[C@@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351911	HJ	Annotated	Anodyne	
CCCCC[C@@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351917	HJ	Annotated	Anodyne	
CCCCC[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351922	HJ	Annotated	Anodyne	
CCCCC[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351924	HJ	Annotated	Anodyne	
COc1cccc2c1C[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351926	HJ	Annotated	Anodyne	
COc1cccc2c1C[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351930	HJ	Annotated	Anodyne	
COc1cccc2c1C[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351933	HJ	Annotated	Anodyne	
COc1cccc2c1C[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351938	HJ	Annotated	Anodyne	
CC(=O)OC[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351950	HJ	Annotated	Anodyne	
CC(=O)OC[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351957	HJ	Annotated	Anodyne	
CC(=O)OC[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351960	HJ	Annotated	Anodyne	
CC(=O)OC[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351965	HJ	Annotated	Anodyne	
CCC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351984	HJ	Annotated	Anodyne	
CCC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351988	HJ	Annotated	Anodyne	
COC(=O)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587351989	HJ	Annotated	Anodyne	
CCC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351990	HJ	Annotated	Anodyne	
CCC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351993	HJ	Annotated	Anodyne	
COC(=O)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587351995	HJ	Annotated	Anodyne	
COC(=O)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587351999	HJ	Annotated	Anodyne	
COC(=O)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587352006	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(C(=O)OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352076	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(C(=O)OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587352077	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(C(=O)OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587352083	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(C(=O)OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352085	HJ	Annotated	Anodyne	
O=C(O)[C@@H]1C[C@@H]1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352094	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2C[C@H]2C(=O)O)[C@@H]1c1ccc(F)cc1	ZINC000587352098	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccccc2)([C@H]2C[C@H]2C(=O)O)[C@@H]1c1ccc(F)cc1	ZINC000587352104	HJ	Annotated	Anodyne	
O=C(O)[C@@H]1C[C@@H]1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352106	HJ	Annotated	Anodyne	
CC1(C)[C@H]2CC[C@@](C(=O)O)(C2)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587352139	HJ	Annotated	Anodyne	
CC1(C)[C@H]2CC[C@@](C(=O)O)(C2)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587352143	HJ	Annotated	Anodyne	
CC1(C)[C@H]2CC[C@@](C(=O)O)(C2)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587352148	HJ	Annotated	Anodyne	
CC1(C)[C@H]2CC[C@@](C(=O)O)(C2)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587352152	HJ	Annotated	Anodyne	
CCOC(=O)c1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352292	HJ	Annotated	Anodyne	
CCOC(=O)c1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587352293	HJ	Annotated	Anodyne	
CCOC(=O)c1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587352294	HJ	Annotated	Anodyne	
CCOC(=O)c1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352295	HJ	Annotated	Anodyne	
CCCCCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587352300	HJ	Annotated	Anodyne	
CCCCCOC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587352301	HJ	Annotated	Anodyne	
CCCCCOC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352302	HJ	Annotated	Anodyne	
CCCCCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352303	HJ	Annotated	Anodyne	
C[C@]1(COc2cccc(C=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587352336	HJ	Annotated	Anodyne	
C[C@]1(COc2cccc(C=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352338	HJ	Annotated	Anodyne	
C[C@@]1(COc2cccc(C=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352340	HJ	Annotated	Anodyne	
C[C@@]1(COc2cccc(C=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587352342	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587352417	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587352419	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587352420	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587352422	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587352481	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587352483	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352485	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352486	HJ	Annotated	Anodyne	
COc1ccc2c(c1OC)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352571	HJ	Annotated	Anodyne	
COc1ccc2c(c1OC)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587352573	HJ	Annotated	Anodyne	
COc1ccc2c(c1OC)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587352576	HJ	Annotated	Anodyne	
COc1ccc2c(c1OC)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352578	HJ	Annotated	Anodyne	
C[C@@]1([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352589	HJ	Annotated	Anodyne	
C[C@]1([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352592	HJ	Annotated	Anodyne	
C[C@]1([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587352595	HJ	Annotated	Anodyne	
C[C@@]1([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587352599	HJ	Annotated	Anodyne	
COCc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC	ZINC000587352630	HJ	Annotated	Anodyne	
COCc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC	ZINC000587352635	HJ	Annotated	Anodyne	
COCc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC	ZINC000587352637	HJ	Annotated	Anodyne	
COCc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC	ZINC000587352641	HJ	Annotated	Anodyne	
O=C(O)CC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587352672	HJ	Annotated	Anodyne	
O=C(O)CC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352674	HJ	Annotated	Anodyne	
O=C(O)CC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352676	HJ	Annotated	Anodyne	
O=C(O)CC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587352677	HJ	Annotated	Anodyne	
COCCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587352764	HJ	Annotated	Anodyne	
COCCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587352765	HJ	Annotated	Anodyne	
COCCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587352766	HJ	Annotated	Anodyne	
COCCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587352767	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1C[C@H](C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587352814	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1C[C@H](C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587352815	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1C[C@H](C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587352816	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1C[C@H](C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587352817	HJ	Annotated	Anodyne	
COC(=O)[C@H](C)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352947	HJ	Annotated	Anodyne	
COC(=O)[C@H](C)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587352951	HJ	Annotated	Anodyne	
COC(=O)[C@H](C)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587352952	HJ	Annotated	Anodyne	
COC(=O)[C@H](C)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587352954	HJ	Annotated	Anodyne	
COC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)C=C1C(C)(C)C	ZINC000587352994	HJ	Annotated	Mild	
COC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)C=C1C(C)(C)C	ZINC000587352996	HJ	Annotated	Mild	
COC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)C=C1C(C)(C)C	ZINC000587352998	HJ	Annotated	Mild	
COC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)C=C1C(C)(C)C	ZINC000587353000	HJ	Annotated	Mild	
CCOC(=O)C[C@]1(c2ccc(C)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353277	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccc(C)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353282	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccc(C)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353283	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccc(C)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353286	HJ	Annotated	Anodyne	
C[C@]1(c2ccc3c(c2)CCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353291	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc3c(c2)CCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353295	HJ	Annotated	Anodyne	
C[C@]1(c2ccc3c(c2)CCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353297	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc3c(c2)CCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353299	HJ	Annotated	Anodyne	
O=C(O)C[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587353317	HJ	Annotated	Anodyne	
O=C(O)C[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587353323	HJ	Annotated	Anodyne	
O=C(O)C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587353325	HJ	Annotated	Anodyne	
O=C(O)C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587353327	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@]2(C[C@H]1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587353364	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@]2(C[C@@H]1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587353368	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@]2(C[C@H]1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587353371	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@]2(C[C@@H]1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587353374	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353425	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353427	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353428	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353429	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353439	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353440	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353441	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353444	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587353472	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587353473	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587353478	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587353481	HJ	Annotated	Anodyne	
COc1cccc(OC)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353562	HJ	Annotated	Anodyne	
COc1cccc(OC)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353565	HJ	Annotated	Anodyne	
COc1cccc(OC)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353567	HJ	Annotated	Anodyne	
COc1cccc(OC)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353569	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353603	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353612	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353621	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353626	HJ	Annotated	Anodyne	
CC(C)CCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353630	HJ	Annotated	Anodyne	
CC(C)CCOC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353637	HJ	Annotated	Anodyne	
CC(C)CCOC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353639	HJ	Annotated	Anodyne	
CC(C)CCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353640	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CC[C@@H](C(=O)O)c3ccccc32)[C@@H]1c1ccc(F)cc1	ZINC000587353946	HJ	Annotated	Anodyne	
O=C(O)[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587353948	HJ	Annotated	Anodyne	
O=C(O)[C@@H]1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21	ZINC000587353952	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CC[C@@H](C(=O)O)c3ccccc32)[C@@H]1c1ccc(F)cc1	ZINC000587353954	HJ	Annotated	Anodyne	
COc1ccc(OC)c2c1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587354026	HJ	Annotated	Anodyne	
COc1ccc(OC)c2c1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587354029	HJ	Annotated	Anodyne	
COc1ccc(OC)c2c1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587354033	HJ	Annotated	Anodyne	
COc1ccc(OC)c2c1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587354036	HJ	Annotated	Anodyne	
COc1cccc2c1OCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587354254	HJ	Annotated	Anodyne	
COc1cccc2c1OCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587354257	HJ	Annotated	Anodyne	
COc1cccc2c1OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587354259	HJ	Annotated	Anodyne	
COc1cccc2c1OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587354261	HJ	Annotated	Anodyne	
CC1(C)[C@@H]2CC[C@@]1(C(=O)O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587354312	HJ	Annotated	Anodyne	
CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587354315	HJ	Annotated	Anodyne	
CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587354319	HJ	Annotated	Anodyne	
CC1(C)[C@@H]2CC[C@@]1(C(=O)O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587354322	HJ	Annotated	Anodyne	
CC1(C)[C@@H]2CC[C@@]1(C(=O)O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587354324	HJ	Annotated	Anodyne	
CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587354327	HJ	Annotated	Anodyne	
CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587354330	HJ	Annotated	Anodyne	
CC1(C)[C@@H]2CC[C@@]1(C(=O)O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587354333	HJ	Annotated	Anodyne	
COC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2C1=O	ZINC000587354576	HJ	Annotated	Mild	
COC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2C1=O	ZINC000587354578	HJ	Annotated	Mild	
COC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2C1=O	ZINC000587354580	HJ	Annotated	Mild	
COC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2C1=O	ZINC000587354581	HJ	Annotated	Mild	
C[C@@H]1C(C)(C)[C@H](C(=O)O)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587354701	HJ	Annotated	Anodyne	
C[C@@H]1C(C)(C)[C@H](C(=O)O)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587354702	HJ	Annotated	Anodyne	
C[C@@H]1C(C)(C)[C@H](C(=O)O)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587354703	HJ	Annotated	Anodyne	
C[C@@H]1C(C)(C)[C@H](C(=O)O)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587354704	HJ	Annotated	Anodyne	
O=C(O)c1ccc2c(c1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587354746	HJ	Annotated	Anodyne	
O=C(O)c1ccc2c(c1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587354748	HJ	Annotated	Anodyne	
O=C(O)c1ccc2c(c1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587354749	HJ	Annotated	Anodyne	
O=C(O)c1ccc2c(c1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587354752	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587354864	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587354868	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587354875	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587354879	HJ	Annotated	Anodyne	
COc1cccc2c1CC[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587354940	HJ	Annotated	Anodyne	
COc1cccc2c1CC[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587354943	HJ	Annotated	Anodyne	
COc1cccc2c1CC[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587354945	HJ	Annotated	Anodyne	
COc1cccc2c1CC[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587354947	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2(C(=O)O)CC2)[C@@H]1c1ccc(F)cc1	ZINC000587354965	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2(C(=O)O)CC2)[C@H]1c1ccc(F)cc1	ZINC000587354969	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2(C(=O)O)CC2)[C@@H]1c1ccc(F)cc1	ZINC000587354975	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2(C(=O)O)CC2)[C@H]1c1ccc(F)cc1	ZINC000587354978	HJ	Annotated	Anodyne	
O=C(O)C1CC2(CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1	ZINC000587355115	HJ	Annotated	Anodyne	
O=C(O)C1CC2(CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1	ZINC000587355117	HJ	Annotated	Anodyne	
COC(=O)C1C[C@@H]2CCC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587355208	HJ	Annotated	Anodyne	
COC(=O)C1C[C@@H]2CCC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587355211	HJ	Annotated	Anodyne	
COC(=O)c1cccc2c1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587355303	HJ	Annotated	Anodyne	
COC(=O)c1cccc2c1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587355307	HJ	Annotated	Anodyne	
COC(=O)c1cccc2c1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587355311	HJ	Annotated	Anodyne	
COC(=O)c1cccc2c1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587355316	HJ	Annotated	Anodyne	
COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(OC)c1O	ZINC000587355409	HJ	Annotated	Anodyne	
COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(OC)c1O	ZINC000587355410	HJ	Annotated	Anodyne	
COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(OC)c1O	ZINC000587355411	HJ	Annotated	Anodyne	
COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(OC)c1O	ZINC000587355413	HJ	Annotated	Anodyne	
COC1=CC(=O)c2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587355509	HJ	Annotated	Mild	
COC1=CC(=O)c2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587355513	HJ	Annotated	Mild	
COC1=CC(=O)c2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587355518	HJ	Annotated	Mild	
COC1=CC(=O)c2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587355521	HJ	Annotated	Mild	
COC(=O)CC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587355602	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587355605	HJ	Annotated	Anodyne	
COC(=O)CC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587355608	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587355609	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCc3cc4c(cc32)OCCO4)[C@@H]1c1ccc(F)cc1	ZINC000587355651	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCc3cc4c(cc32)OCCO4)[C@@H]1c1ccc(F)cc1	ZINC000587355656	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCc3cc4c(cc32)OCCO4)[C@H]1c1ccc(F)cc1	ZINC000587355659	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCc3cc4c(cc32)OCCO4)[C@H]1c1ccc(F)cc1	ZINC000587355663	HJ	Annotated	Anodyne	
COC(=O)[C@@H]1CCC(C)(C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587355687	HJ	Annotated	Anodyne	
COC(=O)[C@@H]1CCC(C)(C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587355688	HJ	Annotated	Anodyne	
COC(=O)[C@@H]1CCC(C)(C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587355689	HJ	Annotated	Anodyne	
COC(=O)[C@@H]1CCC(C)(C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587355691	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587356098	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587356099	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587356100	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587356101	HJ	Annotated	Anodyne	
COc1cc(C)cc2c1OCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587356154	HJ	Annotated	Anodyne	
COc1cc(C)cc2c1OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587356155	HJ	Annotated	Anodyne	
COc1cc(C)cc2c1OCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587356156	HJ	Annotated	Anodyne	
COc1cc(C)cc2c1OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587356157	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](C(=O)O)(C4)C3)[C@H]1c1ccc(F)cc1	ZINC000587356172	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](C(=O)O)(C4)C3)[C@H]1c1ccc(F)cc1	ZINC000587356173	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](C(=O)O)(C4)C3)[C@@H]1c1ccc(F)cc1	ZINC000587356174	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2([C@H]3CC4C[C@H]2CC(C(=O)O)(C4)C3)[C@@H]1c1ccc(F)cc1	ZINC000587356175	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](C(=O)O)(C4)C3)[C@@H]1c1ccc(F)cc1	ZINC000587356176	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2([C@H]3CC4C[C@H]2CC(C(=O)O)(C4)C3)[C@H]1c1ccc(F)cc1	ZINC000587356177	HJ	Annotated	Anodyne	
CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587356244	HJ	Annotated	Anodyne	
CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587356245	HJ	Annotated	Anodyne	
CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587356246	HJ	Annotated	Anodyne	
CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587356247	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccco2)([C@H](O)c2ccco2)[C@@H]1c1ccc(F)cc1	ZINC000587356279	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccco2)([C@@H](O)c2ccco2)[C@@H]1c1ccc(F)cc1	ZINC000587356281	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccco2)([C@H](O)c2ccco2)[C@H]1c1ccc(F)cc1	ZINC000587356287	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccco2)([C@@H](O)c2ccco2)[C@H]1c1ccc(F)cc1	ZINC000587356295	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2CCOC2)[C@@H]1c1ccc(F)cc1	ZINC000587356333	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2CCOC2)[C@H]1c1ccc(F)cc1	ZINC000587356336	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2CCOC2)[C@H]1c1ccc(F)cc1	ZINC000587356337	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2CCOC2)[C@@H]1c1ccc(F)cc1	ZINC000587356338	HJ	Annotated	Anodyne	
C[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587356578	HJ	Annotated	Anodyne	
C[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587356579	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587356580	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587356581	HJ	Annotated	Anodyne	
O=C(OC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)c1ccccc1	ZINC000587357574	HJ	Annotated	Anodyne	
O=C(OC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)c1ccccc1	ZINC000587357575	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587357695	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587357696	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587357699	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587357700	HJ	Annotated	Anodyne	
CCOc1ccc2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587357773	HJ	Annotated	Anodyne	
CCOc1ccc2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587357774	HJ	Annotated	Anodyne	
CCOc1ccc2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587357775	HJ	Annotated	Anodyne	
CCOc1ccc2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587357776	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587357811	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587357812	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587357814	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587357815	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587358208	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587358212	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587358216	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587358220	HJ	Annotated	Anodyne	
O=C(O)C1C[C@@H]2CCC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587358758	HJ	Annotated	Anodyne	
O=C(O)C1C[C@@H]2CCC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587358763	HJ	Annotated	Anodyne	
COC(=O)C(=O)[C@H](Cl)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1	ZINC000587359260	HJ	Annotated	Reactive	
COC(=O)C(=O)[C@@H](Cl)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1	ZINC000587359266	HJ	Annotated	Reactive	
C[C@]1(c2ccc(OC[C@H]3CO3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587359423	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(OC[C@@H]3CO3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587359425	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(OC[C@@H]3CO3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587359428	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(OC[C@H]3CO3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587359429	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OCC	ZINC000587359496	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OCC	ZINC000587359508	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OCC	ZINC000587359512	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OCC	ZINC000587359515	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587359965	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587359968	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587359971	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587359974	HJ	Annotated	Anodyne	
CCc1ccc2c(c1)[C@@]1(CC(=O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587359976	HJ	Annotated	Anodyne	
CCc1ccc2c(c1)[C@]1(CC(=O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587359980	HJ	Annotated	Anodyne	
CCc1ccc2c(c1)[C@@]1(CC(=O)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587359981	HJ	Annotated	Anodyne	
CCc1ccc2c(c1)[C@]1(CC(=O)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587359983	HJ	Annotated	Anodyne	
COC(=O)/C(=C\N(C)C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1	ZINC000587360287	HJ	Annotated	Anodyne	
COC(=O)/C(=C/N(C)C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1	ZINC000587360290	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OC=C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587360299	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OC=C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587360300	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OC=C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587360302	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OC=C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587360310	HJ	Annotated	Anodyne	
C[C@]1(c2cccc(OC[C@H]3CO3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587360311	HJ	Annotated	Anodyne	
C[C@]1(c2cccc(OC[C@@H]3CO3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587360312	HJ	Annotated	Anodyne	
C[C@]1(c2cccc(OC[C@@H]3CO3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587360314	HJ	Annotated	Anodyne	
C[C@]1(c2cccc(OC[C@H]3CO3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587360315	HJ	Annotated	Anodyne	
Cc1cc2c(cc1C)[C@@]1(CC(=O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587360334	HJ	Annotated	Anodyne	
Cc1cc2c(cc1C)[C@]1(CC(=O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587360338	HJ	Annotated	Anodyne	
Cc1cc2c(cc1C)[C@@]1(CC(=O)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587360340	HJ	Annotated	Anodyne	
Cc1cc2c(cc1C)[C@]1(CC(=O)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587360343	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587361506	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587361508	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587361509	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587361510	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc4c(c32)CCO4)[C@@H]1c1ccc(F)cc1	ZINC000587361558	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCc3ccc4c(c32)CCO4)[C@@H]1c1ccc(F)cc1	ZINC000587361559	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc4c(c32)CCO4)[C@H]1c1ccc(F)cc1	ZINC000587361560	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCc3ccc4c(c32)CCO4)[C@H]1c1ccc(F)cc1	ZINC000587361562	HJ	Annotated	Anodyne	
COC(=O)[C@@H]1C(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H]1C	ZINC000587361857	HJ	Annotated	Anodyne	
COC(=O)[C@H]1C(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H]1C	ZINC000587361859	HJ	Annotated	Anodyne	
COC(=O)[C@H]1C(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@@H]1C	ZINC000587361860	HJ	Annotated	Anodyne	
COC(=O)[C@@H]1C(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@@H]1C	ZINC000587361862	HJ	Annotated	Anodyne	
CCOC(=O)C(=O)Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C	ZINC000587362048	HJ	Annotated	Anodyne	
COc1cccc(-c2cc(-c3cc([N+](=O)[O-])nn3C)nc3c2oc2ccccc23)c1	ZINC000587362245	HJ	Annotated	Bother	
COc1cccc(-c2cc(-c3nn(C)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1	ZINC000587362290	HJ	Annotated	Bother	
COc1cccc(-c2cc(CC(=O)Nc3cc(C)on3)nc3c2oc2ccccc23)c1	ZINC000587362334	HJ	Annotated	Anodyne	
COc1cccc(-c2cc(CC(=O)Nc3ncccn3)nc3c2oc2ccccc23)c1	ZINC000587362339	HJ	Annotated	Anodyne	
CCOC(=O)C(=O)[C@@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1	ZINC000587362366	HJ	Annotated	Anodyne	
CCOC(=O)C(=O)[C@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1	ZINC000587362368	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)C(C)=O	ZINC000587362550	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)C(C)=O	ZINC000587362551	HJ	Annotated	Anodyne	
COc1cccc(-c2cc(-c3c([N+](=O)[O-])cnn3C)nc3c2oc2ccccc23)c1	ZINC000587362726	HJ	Annotated	Bother	
CCOC(=O)Cc1c([C@H](C)O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1	ZINC000587362949	HJ	Annotated	Anodyne	
CCOC(=O)Cc1c([C@@H](C)O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1	ZINC000587362950	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@H]3CN(C)CC[C@@]3(C)O)nc3c2oc2ccccc23)c1	ZINC000587362963	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@@H]3CN(C)CC[C@]3(C)O)nc3c2oc2ccccc23)c1	ZINC000587362965	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@@H]3CN(C)CC[C@@]3(C)O)nc3c2oc2ccccc23)c1	ZINC000587362966	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@H]3CN(C)CC[C@]3(C)O)nc3c2oc2ccccc23)c1	ZINC000587362969	HJ	Annotated	Anodyne	
COc1cccc(-c2cc(CC(=O)Nc3nccc(C)n3)nc3c2oc2ccccc23)c1	ZINC000587363149	HJ	Annotated	Anodyne	
COc1cccc(-c2cc(-c3c(C)[nH]n(C(C)=O)c3=O)nc3c2oc2ccccc23)c1	ZINC000587363173	HJ	Annotated	Anodyne	
CCOC(=O)C(=O)Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CC	ZINC000587363245	HJ	Annotated	Anodyne	
COc1cccc(-c2cc(C3=C(C)N=C4N=CNN4[C@H]3C)nc3c2oc2ccccc23)c1	ZINC000587363256	HJ	Annotated	Anodyne	
COc1cccc(-c2cc(C3=C(C)N=C4N=CNN4[C@@H]3C)nc3c2oc2ccccc23)c1	ZINC000587363257	HJ	Annotated	Anodyne	
COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](N2CCOCC2)C3)c1	ZINC000587363364	HJ	Annotated	Anodyne	
COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](N2CCOCC2)C3)c1	ZINC000587363368	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@H](C(C)=O)[C@H]3CCC(=O)N3)nc3c2oc2ccccc23)c1	ZINC000587363558	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@@H](C(C)=O)[C@@H]3CCC(=O)N3)nc3c2oc2ccccc23)c1	ZINC000587363559	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@H](C(C)=O)[C@@H]3CCC(=O)N3)nc3c2oc2ccccc23)c1	ZINC000587363561	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@@H](C(C)=O)[C@H]3CCC(=O)N3)nc3c2oc2ccccc23)c1	ZINC000587363566	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](C(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1	ZINC000587363615	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1	ZINC000587363616	HJ	Annotated	Anodyne	
COc1cccc(-c2cc(C3=C(C)N=C4N=CNN4C3)nc3c2oc2ccccc23)c1	ZINC000587363658	HJ	Annotated	Anodyne	
COc1cccc(-c2cc(Cn3ccc([N+](=O)[O-])n3)nc3c2oc2ccccc23)c1	ZINC000587363671	HJ	Annotated	Bother	
COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2=CN4NC=NC4=NC2=CC3)c1	ZINC000587363913	HJ	Annotated	Anodyne	
COc1cccc(-c2cc(Cn3cc([N+](=O)[O-])cn3)nc3c2oc2ccccc23)c1	ZINC000587363989	HJ	Annotated	Bother	
COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](S(C)(=O)=O)CC3)c1	ZINC000587364814	HJ	Annotated	Anodyne	
COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](S(C)(=O)=O)CC3)c1	ZINC000587364820	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)CO1	ZINC000587364890	HJ	Annotated	Anodyne	
CCOC(=O)[C@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)CO1	ZINC000587364892	HJ	Annotated	Anodyne	
COc1cccc(-c2cc(C3C(=O)OC(C)(C)OC3=O)nc3c2oc2ccccc23)c1	ZINC000587365214	HJ	Annotated	Anodyne	
COc1cccc(-c2cc(C3CCS(=O)(=O)CC3)nc3c2oc2ccccc23)c1	ZINC000587365254	HJ	Annotated	Anodyne	
COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@]2(O)CCC(=O)[C@@]2(C)C3)c1	ZINC000587365951	HJ	Annotated	Anodyne	
CN=c1nc(Cc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)[nH]s1	ZINC000587366001	HJ	Annotated	Anodyne	
COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CCC(=O)C[C@@]2(O)C3)c1	ZINC000587366151	HJ	Annotated	Anodyne	
Oc1nc(O)c2cc(CCc3ccc(Br)cc3)c(-c3ccccc3)nc2n1	ZINC000587366205	HJ	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3ccc(Oc4cccc(Br)c4)cc3)nc2n1	ZINC000587367116	HJ	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3c(O)nc4ccc(Cl)cc4c3-c3ccccc3)nc2n1	ZINC000587368067	HJ	Annotated	Anodyne	
Oc1nc(O)c2cc(CC3CCCC3)c(-c3ccc(OC(F)(F)F)cc3)nc2n1	ZINC000587368129	HJ	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)nc2n1	ZINC000587368193	HJ	Annotated	Anodyne	
Cc1cc(C)c(COc2ccc(-c3ccc4c(O)nc(O)nc4n3)c(F)c2)c(C)c1	ZINC000587368617	HJ	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)nc2n1	ZINC000587368731	HJ	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3cccc(OCc4ccc(Cl)cc4Cl)c3)nc2n1	ZINC000587368772	HJ	Annotated	Anodyne	
COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1-c1cccc(C(F)(F)F)c1	ZINC000587368977	HJ	Annotated	Anodyne	
Cc1cc(C)nc(SC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1	ZINC000587369795	HJ	Annotated	Anodyne	
Cc1cc(C)nc(SC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1	ZINC000587369796	HJ	Annotated	Anodyne	
Cc1cc(C)nc(SC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1	ZINC000587369797	HJ	Annotated	Anodyne	
Cc1cc(C)nc(SC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1	ZINC000587369798	HJ	Annotated	Anodyne	
C[S@](=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587369866	HJ	Annotated	Anodyne	
C[S@](=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587369867	HJ	Annotated	Anodyne	
C[S@](=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587369868	HJ	Annotated	Anodyne	
C[S@](=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587369869	HJ	Annotated	Anodyne	
COc1ccc2c(Br)ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2n1	ZINC000587370086	HJ	Annotated	Anodyne	
COc1ccc2c(Br)ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2n1	ZINC000587370087	HJ	Annotated	Anodyne	
C/C(=C\[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C	ZINC000587370104	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C	ZINC000587370105	HJ	Annotated	Anodyne	
C/C(=C/[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C	ZINC000587370106	HJ	Annotated	Anodyne	
C/C(=C/[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C	ZINC000587370107	HJ	Annotated	Anodyne	
C[C@]1(c2ccc3nc(N)sc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587370444	HJ	Annotated	Anodyne	
C[C@]1(c2ccc3nc(N)sc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587370448	HJ	Annotated	Anodyne	
CC(=O)SCC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587370449	HJ	Annotated	Reactive	
C[C@@]1(c2ccc3nc(N)sc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587370450	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc3nc(N)sc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587370451	HJ	Annotated	Anodyne	
CC(=O)SCC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587370458	HJ	Annotated	Reactive	
CC(=O)SCC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587370459	HJ	Annotated	Reactive	
CC(=O)SCC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587370461	HJ	Annotated	Reactive	
O=C(O)c1csc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587370466	HJ	Annotated	Anodyne	
O=C(O)c1csc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587370469	HJ	Annotated	Anodyne	
O=C(O)c1csc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587370472	HJ	Annotated	Anodyne	
O=C(O)c1csc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587370474	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(C)n1-c1ccc(Br)cc1)O2	ZINC000587370501	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(C)n1-c1ccc(Br)cc1)O2	ZINC000587370502	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(C1CCOCC1)O2	ZINC000587370563	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(C1CCOCC1)O2	ZINC000587370566	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccc(Br)cc3)nc1C)O2	ZINC000587370592	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccc(Br)cc3)nc1C)O2	ZINC000587370598	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(/C(Cl)=N/Nc1ccc(Br)cc1)O2	ZINC000587370605	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(/C(Cl)=N/Nc1ccc(Br)cc1)O2	ZINC000587370608	HJ	Annotated	Mild	
O=C1c2ccc(O)cc2OC2(CCN(Cc3cccs3)CC2)[C@@H]1c1ccc(F)cc1	ZINC000587370754	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2(CCN(Cc3cccs3)CC2)[C@H]1c1ccc(F)cc1	ZINC000587370756	HJ	Annotated	Anodyne	
CSc1ccc([C@@]2(C=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587370758	HJ	Annotated	Mild	
CSc1ccc([C@]2(C=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1	ZINC000587370759	HJ	Annotated	Mild	
CSc1ccc([C@]2(C=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587370761	HJ	Annotated	Mild	
CSc1ccc([C@@]2(C=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000587370763	HJ	Annotated	Mild	
CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C	ZINC000587371138	HJ	Annotated	Reactive	
CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C	ZINC000587371145	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(Br)cc(Cl)cc31)O2	ZINC000587371300	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(Br)cc(Cl)cc31)O2	ZINC000587371313	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC(c2nccs2)(c2nccs2)[C@H]1c1ccc(F)cc1	ZINC000587371314	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC(c2nccs2)(c2nccs2)[C@@H]1c1ccc(F)cc1	ZINC000587371316	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cc3cc(Br)ccc3o1)O2	ZINC000587371347	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cc3cc(Br)ccc3o1)O2	ZINC000587371348	HJ	Annotated	Mild	
COc1ccc([C@]2([C@H](C)Br)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl	ZINC000587371412	HJ	Annotated	Reactive	
COc1ccc([C@]2([C@@H](C)Br)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl	ZINC000587371413	HJ	Annotated	Reactive	
COc1ccc([C@@]2([C@H](C)Br)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl	ZINC000587371414	HJ	Annotated	Reactive	
COc1ccc([C@@]2([C@@H](C)Br)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl	ZINC000587371415	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1oc3ccccc3c1NC(=O)[C@H](C)Cl)O2	ZINC000587371531	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1oc3ccccc3c1NC(=O)[C@@H](C)Cl)O2	ZINC000587371532	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1oc3ccccc3c1NC(=O)[C@@H](C)Cl)O2	ZINC000587371533	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1oc3ccccc3c1NC(=O)[C@H](C)Cl)O2	ZINC000587371534	HJ	Annotated	Reactive	
COc1ccc2c(c1Br)[C@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587371555	HJ	Annotated	Anodyne	
COc1ccc2c(c1Br)[C@@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587371557	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N(C)C)[nH]c3cc(Br)ccc13)O2	ZINC000587371658	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N(C)C)[nH]c3cc(Br)ccc13)O2	ZINC000587371671	HJ	Annotated	Anodyne	
COc1ccc(Br)c2c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c[nH]c12	ZINC000587371743	HJ	Annotated	Anodyne	
COc1ccc(Br)c2c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c[nH]c12	ZINC000587371750	HJ	Annotated	Anodyne	
CN(C)CC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587371799	HJ	Annotated	Anodyne	
CN(C)CC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587371800	HJ	Annotated	Anodyne	
CN(C)CC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587371802	HJ	Annotated	Anodyne	
CN(C)CC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587371805	HJ	Annotated	Anodyne	
COc1ccc(Br)c2cc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)oc12	ZINC000587371832	HJ	Annotated	Anodyne	
COc1ccc(Br)c2cc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)oc12	ZINC000587371837	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(NC(=O)CC(C)C)cc1)O2	ZINC000587371921	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(NC(=O)CC(C)C)cc1)O2	ZINC000587371922	HJ	Annotated	Reactive	
N#Cc1c(N)sc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587371990	HJ	Annotated	Mild	
N#Cc1c(N)sc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587371994	HJ	Annotated	Mild	
N#Cc1c(N)sc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587371995	HJ	Annotated	Mild	
N#Cc1c(N)sc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587371996	HJ	Annotated	Mild	
CSc1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1	ZINC000587372132	HJ	Annotated	Anodyne	
CSc1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1	ZINC000587372134	HJ	Annotated	Anodyne	
CSc1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1	ZINC000587372137	HJ	Annotated	Anodyne	
CSc1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1	ZINC000587372139	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]3SCCS[C@H]32)[C@H]1c1ccc(F)cc1	ZINC000587372140	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]3SCCS[C@@H]32)[C@@H]1c1ccc(F)cc1	ZINC000587372149	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]3SCCS[C@@H]32)[C@H]1c1ccc(F)cc1	ZINC000587372152	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]3SCCS[C@H]32)[C@@H]1c1ccc(F)cc1	ZINC000587372156	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(NC(=O)C(C)C)cc1)([C@H](C)Cl)O2	ZINC000587372176	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(NC(=O)C(C)C)cc1)([C@@H](C)Cl)O2	ZINC000587372184	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(NC(=O)C(C)C)cc1)([C@@H](C)Cl)O2	ZINC000587372185	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(NC(=O)C(C)C)cc1)([C@H](C)Cl)O2	ZINC000587372187	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1cccnc1)O2	ZINC000587372224	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1cccnc1)O2	ZINC000587372228	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(OCc3ccccc3)c1C)O2	ZINC000587372271	HJ	Annotated	Reactive	
COc1cc(Br)cc2cc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)oc12	ZINC000587372277	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(OCc3ccccc3)c1C)O2	ZINC000587372279	HJ	Annotated	Reactive	
COc1cc(Br)cc2cc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)oc12	ZINC000587372281	HJ	Annotated	Anodyne	
Cn1ccnc1[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587372300	HJ	Annotated	Anodyne	
Cn1ccnc1[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587372304	HJ	Annotated	Anodyne	
Cn1ccnc1[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587372306	HJ	Annotated	Anodyne	
Cn1ccnc1[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587372311	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccccc1)O2	ZINC000587372357	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccccc1)O2	ZINC000587372359	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccccc1)O2	ZINC000587372361	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccccc1)O2	ZINC000587372362	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OC(=O)[C@H](C)Cl)cc1)([C@@H](C)Cl)O2	ZINC000587372461	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OC(=O)[C@H](C)Cl)cc1)([C@H](C)Cl)O2	ZINC000587372463	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OC(=O)[C@@H](C)Cl)cc1)([C@H](C)Cl)O2	ZINC000587372465	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OC(=O)[C@@H](C)Cl)cc1)([C@@H](C)Cl)O2	ZINC000587372466	HJ	Annotated	Reactive	
COc1cc(Br)c2oc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2c1	ZINC000587372721	HJ	Annotated	Anodyne	
COc1cc(Br)c2oc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2c1	ZINC000587372726	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ncc[nH]2)(c2cccs2)[C@@H]1c1ccc(F)cc1	ZINC000587372817	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ncc[nH]2)(c2cccs2)[C@@H]1c1ccc(F)cc1	ZINC000587372818	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](c2ncc[nH]2)(c2cccs2)[C@H]1c1ccc(F)cc1	ZINC000587372820	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](c2ncc[nH]2)(c2cccs2)[C@H]1c1ccc(F)cc1	ZINC000587372822	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1NC(=O)CCl)O2	ZINC000587372850	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1NC(=O)CCl)O2	ZINC000587372855	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCN3CCCCC3)c(Cl)c1)O2	ZINC000587372957	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCN3CCCCC3)c(Cl)c1)O2	ZINC000587372959	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587372966	HJ	Annotated	Reactive	
CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587372967	HJ	Annotated	Reactive	
CCCC(=O)Nc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587372969	HJ	Annotated	Reactive	
CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587372971	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(Br)=COc2ccc(Cl)cc21	ZINC000587373009	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(Br)=COc2ccc(Cl)cc21	ZINC000587373011	HJ	Annotated	Anodyne	
C[C@@]1(c2c(N)sc3c2CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587373187	HJ	Annotated	Anodyne	
C[C@]1(c2c(N)sc3c2CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587373190	HJ	Annotated	Anodyne	
C[C@@]1(c2c(N)sc3c2CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587373193	HJ	Annotated	Anodyne	
C[C@]1(c2c(N)sc3c2CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587373195	HJ	Annotated	Anodyne	
Cc1csc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)n1	ZINC000587373256	HJ	Annotated	Anodyne	
Cc1csc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)n1	ZINC000587373258	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1ccccn1)O2	ZINC000587373331	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1ccccn1)O2	ZINC000587373332	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Oc3ccc(Br)cc31)O2	ZINC000587373349	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Oc3ccc(Br)cc31)O2	ZINC000587373354	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccn1)(c1ccc(Br)cc1)O2	ZINC000587373363	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccn1)(c1ccc(Br)cc1)O2	ZINC000587373364	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC(C(C)(C)Br)(C(C)(C)Br)O2	ZINC000587373681	HJ	Annotated	Anodyne	
COc1cc(C)c(Cl)cc1[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587373721	HJ	Annotated	Reactive	
COc1cc(C)c(Cl)cc1[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587373722	HJ	Annotated	Reactive	
O=C1c2ccc(O)cc2O[C@@]2(CCc3nc(Cl)sc3C2)[C@H]1c1ccc(F)cc1	ZINC000587373738	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCc3nc(Cl)sc3C2)[C@@H]1c1ccc(F)cc1	ZINC000587373739	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCc3nc(Cl)sc3C2)[C@H]1c1ccc(F)cc1	ZINC000587373740	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCc3nc(Cl)sc3C2)[C@@H]1c1ccc(F)cc1	ZINC000587373741	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2CC[C@H]1Cc1cc(Br)ccc1C2	ZINC000587373831	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2CC[C@H]1Cc1cc(Br)ccc1C2	ZINC000587373836	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N(C)C)[nH]c3cccc(Br)c13)O2	ZINC000587373909	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N(C)C)[nH]c3cccc(Br)c13)O2	ZINC000587373913	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)C(C)(C)CCl)c1)O2	ZINC000587373925	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)C(C)(C)CCl)c1)O2	ZINC000587373927	HJ	Annotated	Reactive	
COCCC[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587373997	HJ	Annotated	Anodyne	
COCCC[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587373999	HJ	Annotated	Anodyne	
CCN(CC)c1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587374230	HJ	Annotated	Reactive	
CCN(CC)c1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587374232	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)C(C)(C)CCl)cc1)O2	ZINC000587374259	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)C(C)(C)CCl)cc1)O2	ZINC000587374260	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(CCl)cc21	ZINC000587374292	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(CCl)cc21	ZINC000587374294	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(NC(=O)C(C)(C)C)cc1)O2	ZINC000587374340	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(NC(=O)C(C)(C)C)cc1)O2	ZINC000587374341	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(Cl)cc(Br)cc31)O2	ZINC000587374354	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(Cl)cc(Br)cc31)O2	ZINC000587374356	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1ccccc1N)O2	ZINC000587374397	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1ccccc1N)O2	ZINC000587374404	HJ	Annotated	Anodyne	
CC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587374414	HJ	Annotated	Anodyne	
CC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587374415	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(Br)cn1)O2	ZINC000587374535	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(Br)cn1)O2	ZINC000587374537	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccc(Br)cc3)c1C)O2	ZINC000587374539	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccc(Br)cc3)c1C)O2	ZINC000587374541	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(CCl)ccc21	ZINC000587374607	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(CCl)ccc21	ZINC000587374610	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1c[nH]c3ccc(Br)cc13)O2	ZINC000587374616	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1c[nH]c3ccc(Br)cc13)O2	ZINC000587374620	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1oc3ccccc3c1C)O2	ZINC000587374741	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1oc3ccccc3c1C)O2	ZINC000587374748	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(N)ccc2-c2ccc(Br)cc21	ZINC000587374863	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(N)ccc2-c2ccc(Br)cc21	ZINC000587374871	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3c(CCl)cc(Cl)cc3c1=O)O2	ZINC000587374894	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3c(CCl)cc(Cl)cc3c1=O)O2	ZINC000587374897	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ccnc1NC(=O)OC(C)(C)C)O2	ZINC000587374900	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ccnc1NC(=O)OC(C)(C)C)O2	ZINC000587374906	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(Br)ccc1O)(C(C)(C)C)O2	ZINC000587375079	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(Br)ccc1O)(C(C)(C)C)O2	ZINC000587375086	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(OC(C)C)cc1)O2	ZINC000587375108	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(OC(C)C)cc1)O2	ZINC000587375109	HJ	Annotated	Reactive	
CC1(C)Cc2sc(N)nc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587375140	HJ	Annotated	Anodyne	
CC1(C)Cc2sc(N)nc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587375142	HJ	Annotated	Anodyne	
CC1(C)Cc2sc(N)nc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587375143	HJ	Annotated	Anodyne	
CC1(C)Cc2sc(N)nc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587375144	HJ	Annotated	Anodyne	
C[C@]1(c2cccc3sc(N)nc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587375161	HJ	Annotated	Anodyne	
C[C@@]1(c2cccc3sc(N)nc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587375162	HJ	Annotated	Anodyne	
C[C@]1(c2cccc3sc(N)nc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587375163	HJ	Annotated	Anodyne	
C[C@@]1(c2cccc3sc(N)nc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587375164	HJ	Annotated	Anodyne	
CCc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(S)n1	ZINC000587375179	HJ	Annotated	Anodyne	
CCc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(S)n1	ZINC000587375182	HJ	Annotated	Anodyne	
CCc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(S)n1	ZINC000587375184	HJ	Annotated	Anodyne	
CCc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(S)n1	ZINC000587375185	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1	ZINC000587375204	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1	ZINC000587375205	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1	ZINC000587375206	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1	ZINC000587375208	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2cc(Cl)ccc2Cl)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587375249	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2cc(Cl)ccc2Cl)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587375258	HJ	Annotated	Anodyne	
Cc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(S)n1	ZINC000587375290	HJ	Annotated	Anodyne	
Cc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(S)n1	ZINC000587375291	HJ	Annotated	Anodyne	
Cc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(S)n1	ZINC000587375292	HJ	Annotated	Anodyne	
Cc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(S)n1	ZINC000587375293	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCBr)c(Cl)c1)O2	ZINC000587375435	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCBr)c(Cl)c1)O2	ZINC000587375436	HJ	Annotated	Reactive	
CCOc1cc(Br)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC	ZINC000587375471	HJ	Annotated	Anodyne	
CCOc1cc(Br)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC	ZINC000587375472	HJ	Annotated	Anodyne	
C=CCOc1c(Br)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587375541	HJ	Annotated	Mild	
C=CCOc1c(Br)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587375543	HJ	Annotated	Mild	
CC1(C)Cc2nc(N)sc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587375587	HJ	Annotated	Anodyne	
CC1(C)Cc2nc(N)sc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587375594	HJ	Annotated	Anodyne	
CC1(C)Cc2nc(N)sc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587375598	HJ	Annotated	Anodyne	
CC1(C)Cc2nc(N)sc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587375600	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(Br)cc1N)O2	ZINC000587375679	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(Br)cc1N)O2	ZINC000587375683	HJ	Annotated	Anodyne	
C#CCOc1c(Cl)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br	ZINC000587375716	HJ	Annotated	Mild	
C#CCOc1c(Cl)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br	ZINC000587375717	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(Br)c1)O2	ZINC000587375730	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(Br)c1)O2	ZINC000587375732	HJ	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OC(C)C	ZINC000587376090	HJ	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OC(C)C	ZINC000587376092	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587376226	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587376228	HJ	Annotated	Anodyne	
CC[C@H](Br)[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587376393	HJ	Annotated	Reactive	
CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587376394	HJ	Annotated	Reactive	
CC[C@@H](Br)[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587376395	HJ	Annotated	Reactive	
CC[C@@H](Br)[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587376396	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ccc3c(c1)OCO3)O2	ZINC000587376445	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1ccc3c(c1)OCO3)O2	ZINC000587376446	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc(Cl)s2)[C@H]1c1ccc(F)cc1	ZINC000587376506	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCC	ZINC000587376508	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCC	ZINC000587376510	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc(Cl)s2)[C@H]1c1ccc(F)cc1	ZINC000587376513	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc(Cl)s2)[C@@H]1c1ccc(F)cc1	ZINC000587376514	HJ	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc(Cl)s2)[C@@H]1c1ccc(F)cc1	ZINC000587376516	HJ	Annotated	Anodyne	
CCCOc1c(Br)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587376557	HJ	Annotated	Anodyne	
CCCOc1c(Br)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587376558	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1Br)O2	ZINC000587376571	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1Br)O2	ZINC000587376583	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)CCC3)([C@@H](C)Br)O2	ZINC000587376668	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)CCC3)([C@@H](C)Br)O2	ZINC000587376677	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)CCC3)([C@H](C)Br)O2	ZINC000587376680	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)CCC3)([C@H](C)Br)O2	ZINC000587376682	HJ	Annotated	Reactive	
C[C@H](O)[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587376745	HJ	Annotated	Anodyne	
C[C@H](O)[C@@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587376758	HJ	Annotated	Anodyne	
C[C@H](O)[C@@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587376759	HJ	Annotated	Anodyne	
C[C@H](O)[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587376761	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccc(Cl)cc2Cl)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587376784	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccc(Cl)cc2Cl)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587376787	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](COc1ccc([N+](=O)[O-])cc1Cl)(C(C)(C)C)O2	ZINC000587376878	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@](COc1ccc([N+](=O)[O-])cc1Cl)(C(C)(C)C)O2	ZINC000587376880	HJ	Annotated	Bother	
Cc1nc2sccn2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587376911	HJ	Annotated	Anodyne	
Cc1nc2sccn2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587376912	HJ	Annotated	Anodyne	
Cc1nc2sccn2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587376913	HJ	Annotated	Anodyne	
Cc1nc2sccn2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587376914	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3c(c1)CCCC3)O2	ZINC000587377019	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3c(c1)CCCC3)O2	ZINC000587377021	HJ	Annotated	Reactive	
COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1-c1ccccc1Cl	ZINC000587377045	HJ	Annotated	Anodyne	
COC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1-c1ccccc1Cl	ZINC000587377049	HJ	Annotated	Anodyne	
O=C(O)CC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587377059	HJ	Annotated	Anodyne	
O=C(O)CC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587377070	HJ	Annotated	Anodyne	
O=C(O)CC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587377073	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1Br)O2	ZINC000587377075	HJ	Annotated	Anodyne	
O=C(O)CC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587377076	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1Br)O2	ZINC000587377077	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1N1C[C@H](C)O[C@H](C)C1)O2	ZINC000587377107	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1N1C[C@H](C)O[C@H](C)C1)O2	ZINC000587377110	HJ	Annotated	Anodyne	
CN(C)/C=C\[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587377278	HJ	Annotated	Anodyne	
CN(C)/C=C/[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587377284	HJ	Annotated	Anodyne	
CN(C)/C=C/[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587377287	HJ	Annotated	Anodyne	
CN(C)/C=C\[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587377290	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CCC#N)nc1-c1cccc(Cl)c1)O2	ZINC000587377405	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CCC#N)nc1-c1cccc(Cl)c1)O2	ZINC000587377406	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1Cl)O2	ZINC000587377425	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1Cl)O2	ZINC000587377426	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ccccc1C(=O)O)O2	ZINC000587377455	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Br)c1Br)O2	ZINC000587377458	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1ccccc1C(=O)O)O2	ZINC000587377459	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Br)c1Br)O2	ZINC000587377461	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cccc1N1CCCC1)O2	ZINC000587377469	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cccc1N1CCCC1)O2	ZINC000587377470	HJ	Annotated	Anodyne	
C[C@]1(c2scc3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587377526	HJ	Annotated	Anodyne	
C[C@]1(c2scc3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587377528	HJ	Annotated	Anodyne	
CCN(CC)c1cccc(Br)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587377530	HJ	Annotated	Anodyne	
C[C@@]1(c2scc3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587377531	HJ	Annotated	Anodyne	
CCN(CC)c1cccc(Br)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587377532	HJ	Annotated	Anodyne	
C[C@@]1(c2scc3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587377533	HJ	Annotated	Anodyne	
C=CCNc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1	ZINC000587377585	HJ	Annotated	Mild	
C=CCNc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1	ZINC000587377589	HJ	Annotated	Mild	
C=CCNc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1	ZINC000587377590	HJ	Annotated	Mild	
C=CCNc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1	ZINC000587377591	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCC(=O)O)(c1ccc(Cl)c(Cl)c1)O2	ZINC000587377742	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCCC(=O)O)(c1ccc(Cl)c(Cl)c1)O2	ZINC000587377743	HJ	Annotated	Anodyne	
COC(=O)c1cc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)ccc1Cl	ZINC000587377807	HJ	Annotated	Anodyne	
COC(=O)c1cc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)ccc1Cl	ZINC000587377814	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)OCCO3)(c1ccccc1Cl)O2	ZINC000587377845	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)OCCO3)(c1ccccc1Cl)O2	ZINC000587377850	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(Br)ccc1O)O2	ZINC000587377879	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(Br)ccc1O)O2	ZINC000587377886	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(Br)c1)O2	ZINC000587377952	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(Br)c1)O2	ZINC000587377954	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1N1CCCC1)O2	ZINC000587377965	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1N1CCCC1)O2	ZINC000587377969	HJ	Annotated	Anodyne	
CN(C)Cc1csc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587378094	HJ	Annotated	Anodyne	
CN(C)Cc1csc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587378095	HJ	Annotated	Anodyne	
CN(C)Cc1csc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587378096	HJ	Annotated	Anodyne	
CN(C)Cc1csc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587378097	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Cl)ccc2Oc2cc(O)cc(O)c21	ZINC000587378169	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Cl)ccc2Oc2cc(O)cc(O)c21	ZINC000587378180	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1N1CCCC1)O2	ZINC000587378189	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1N1CCCC1)O2	ZINC000587378190	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Br)c1)(C1CCOCC1)O2	ZINC000587378220	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Br)c1)(C1CCOCC1)O2	ZINC000587378222	HJ	Annotated	Anodyne	
CCN(CC)c1cc(Br)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587378272	HJ	Annotated	Anodyne	
CCN(CC)c1cc(Br)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587378274	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1(COc3ccccc3Br)CCC1)O2	ZINC000587378291	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](C1(COc3ccccc3Br)CCC1)O2	ZINC000587378296	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCC1OCCCO1)(c1cccc(Cl)c1)O2	ZINC000587378309	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC1OCCCO1)(c1cccc(Cl)c1)O2	ZINC000587378334	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)nc1NC(=O)OC(C)(C)C)O2	ZINC000587378440	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)nc1NC(=O)OC(C)(C)C)O2	ZINC000587378441	HJ	Annotated	Anodyne	
CCC#CCOc1cc(Br)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587378561	HJ	Annotated	Mild	
CCC#CCOc1cc(Br)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587378562	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cccc1Br)O2	ZINC000587378610	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cccc1Br)O2	ZINC000587378612	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(Cl)cc2Oc2cc(O)cc(O)c21	ZINC000587378801	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(Cl)cc2Oc2cc(O)cc(O)c21	ZINC000587378802	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1cccc(C#N)c1)(c1ccc(Cl)nc1)O2	ZINC000587378892	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1cccc(C#N)c1)(c1ccc(Cl)nc1)O2	ZINC000587378894	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(Br)ccc1N)O2	ZINC000587378949	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(Br)ccc1N)O2	ZINC000587378950	HJ	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cc1OC(C)C	ZINC000587379002	HJ	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cc1OC(C)C	ZINC000587379003	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCC1OCCCO1)(c1ccccc1Cl)O2	ZINC000587379057	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC1OCCCO1)(c1ccccc1Cl)O2	ZINC000587379059	HJ	Annotated	Anodyne	
CSc1ncc2c(n1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587379061	HJ	Annotated	Anodyne	
CSc1ncc2c(n1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587379068	HJ	Annotated	Anodyne	
CSc1ncc2c(n1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587379070	HJ	Annotated	Anodyne	
CSc1ncc2c(n1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587379072	HJ	Annotated	Anodyne	
CCOC(=O)c1cnc2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2c1Cl	ZINC000587379231	HJ	Annotated	Anodyne	
CCOC(=O)c1cnc2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2c1Cl	ZINC000587379235	HJ	Annotated	Anodyne	
C/C(=C/[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N(C)C	ZINC000587379311	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C	ZINC000587379312	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N(C)C	ZINC000587379313	HJ	Annotated	Anodyne	
C/C(=C/[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C	ZINC000587379315	HJ	Annotated	Anodyne	
COC(=O)c1csc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587379342	HJ	Annotated	Anodyne	
COC(=O)c1csc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1	ZINC000587379343	HJ	Annotated	Anodyne	
COC(=O)c1csc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587379344	HJ	Annotated	Anodyne	
COC(=O)c1csc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000587379345	HJ	Annotated	Anodyne	
COC(=O)C1(c2ccc(Cl)cc2)CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2	ZINC000587379388	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](CC)[C@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587379432	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](CC)[C@@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587379434	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](CC)[C@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587379437	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](CC)[C@@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587379438	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(Cc2ccccc2Cl)c2ccccc21	ZINC000587379447	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(Cc2ccccc2Cl)c2ccccc21	ZINC000587379452	HJ	Annotated	Anodyne	
Cc1nc(S)c(C#N)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587379704	HJ	Annotated	Mild	
Cc1nc(S)c(C#N)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587379709	HJ	Annotated	Mild	
Cc1nc(S)c(C#N)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587379710	HJ	Annotated	Mild	
Cc1nc(S)c(C#N)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587379712	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ccc3nc(O)[nH]c3c1)O2	ZINC000587379716	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1ccc3nc(O)[nH]c3c1)O2	ZINC000587379717	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ncc1NC(=O)OC(C)(C)C)O2	ZINC000587379860	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ncc1NC(=O)OC(C)(C)C)O2	ZINC000587379862	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(NC(=O)OC(C)(C)C)ccnc1Cl)O2	ZINC000587379900	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(NC(=O)OC(C)(C)C)ccnc1Cl)O2	ZINC000587379901	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Cl)cc3)nc3ncccn13)O2	ZINC000587380060	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Cl)cc3)nc3ncccn13)O2	ZINC000587380061	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CCC#N)nc1-c1ccc(Cl)cc1)O2	ZINC000587380077	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CCC#N)nc1-c1ccc(Cl)cc1)O2	ZINC000587380078	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(C(F)(F)F)cc1)O2	ZINC000587380124	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(C(F)(F)F)cc1)O2	ZINC000587380125	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnc(Cl)c1NC(=O)OC(C)(C)C)O2	ZINC000587380371	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc(Cl)c1NC(=O)OC(C)(C)C)O2	ZINC000587380373	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c(C)nn(-c4ccccc4)c3nc1Cl)O2	ZINC000587380410	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c(C)nn(-c4ccccc4)c3nc1Cl)O2	ZINC000587380419	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3cccc(C(F)(F)F)c3)CC1)O2	ZINC000587380478	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(Cl)ccc1NC(=O)OC(C)(C)C)O2	ZINC000587380646	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(Cl)ccc1NC(=O)OC(C)(C)C)O2	ZINC000587380647	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3cc(C(=O)O)ccc3F)cc1)O2	ZINC000587380712	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3cc(C(=O)O)ccc3F)cc1)O2	ZINC000587380715	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)OCCO3)(c1c(F)cccc1F)O2	ZINC000587380736	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)OCCO3)(c1c(F)cccc1F)O2	ZINC000587380737	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-c3ccc(F)c(C(=O)O)c3)c1)O2	ZINC000587380750	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-c3ccc(F)c(C(=O)O)c3)c1)O2	ZINC000587380752	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Cl)ccc2-c2cccc(C(=O)O)c21	ZINC000587380944	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Cl)ccc2-c2cccc(C(=O)O)c21	ZINC000587380946	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3nccc(C(F)(F)F)n3)c1C)O2	ZINC000587381157	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3nccc(C(F)(F)F)n3)c1C)O2	ZINC000587381159	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3ccccc3C(F)(F)F)CC1)O2	ZINC000587381168	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3nccc(C(F)(F)F)n3)cc1)O2	ZINC000587381248	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3nccc(C(F)(F)F)n3)cc1)O2	ZINC000587381249	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cc(C(F)(F)F)nn3C)s1)O2	ZINC000587381262	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cc(C(F)(F)F)nn3C)s1)O2	ZINC000587381263	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-c3cc(C(=O)O)ccc3F)c1)O2	ZINC000587381345	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-c3cc(C(=O)O)ccc3F)c1)O2	ZINC000587381346	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC[C@@](F)(Cl)C(F)(F)Br)O2	ZINC000587381446	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC[C@@](F)(Cl)C(F)(F)Br)O2	ZINC000587381447	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC[C@](F)(Cl)C(F)(F)Br)O2	ZINC000587381448	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC[C@](F)(Cl)C(F)(F)Br)O2	ZINC000587381449	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1OC(F)(F)F)O2	ZINC000587381525	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1OC(F)(F)F)O2	ZINC000587381530	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)ccc1OC(F)F)O2	ZINC000587381615	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)ccc1OC(F)F)O2	ZINC000587381616	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)OCC(F)(F)F)c1)O2	ZINC000587381706	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)OCC(F)(F)F)c1)O2	ZINC000587381707	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(C(F)(F)F)c1O)O2	ZINC000587381761	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(C(F)(F)F)c1O)O2	ZINC000587381762	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)(F)F)c(Br)c1)O2	ZINC000587381845	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)(F)F)c(Br)c1)O2	ZINC000587381849	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1Br)O2	ZINC000587381990	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)(F)F)cc1Br)O2	ZINC000587381992	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(C)c(Cl)cc1F)O2	ZINC000587382135	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(C)c(Cl)cc1F)O2	ZINC000587382136	HJ	Annotated	Reactive	
COC(=O)c1cc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)ccc1F	ZINC000587382145	HJ	Annotated	Anodyne	
COC(=O)c1cc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)ccc1F	ZINC000587382146	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C(F)(F)F)cc(C(F)(F)F)n1C)O2	ZINC000587382189	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C(F)(F)F)cc(C(F)(F)F)n1C)O2	ZINC000587382190	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cn3nc(C(F)F)cc3C(F)F)o1)O2	ZINC000587382217	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cn3nc(C(F)F)cc3C(F)F)o1)O2	ZINC000587382218	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)cnc1NC(=O)C(C)(C)C)O2	ZINC000587382227	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)cnc1NC(=O)C(C)(C)C)O2	ZINC000587382228	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(OC(F)(F)F)ccc1Br)O2	ZINC000587382253	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(OC(F)(F)F)ccc1Br)O2	ZINC000587382254	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(CC(F)(F)F)c1C)O2	ZINC000587382334	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(CC(F)(F)F)c1C)O2	ZINC000587382343	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C#N)cc1OCCC(F)(F)F)O2	ZINC000587382344	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C#N)cc1OCCC(F)(F)F)O2	ZINC000587382346	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccccc1C(F)(F)F)O2	ZINC000587382444	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccccc1C(F)(F)F)O2	ZINC000587382445	HJ	Annotated	Reactive	
COc1cc(CCC(F)(F)F)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587382557	HJ	Annotated	Anodyne	
COc1cc(CCC(F)(F)F)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587382560	HJ	Annotated	Anodyne	
COC(=O)c1ccc(F)c(-c2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2O)c1	ZINC000587382583	HJ	Annotated	Anodyne	
COC(=O)c1ccc(F)c(-c2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2O)c1	ZINC000587382587	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccccc3)nn3ccnc(Cl)c13)O2	ZINC000587382607	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccccc3)nn3ccnc(Cl)c13)O2	ZINC000587382608	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](Br)Cc1c(F)cccc1F)O2	ZINC000587382683	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](Br)Cc1c(F)cccc1F)O2	ZINC000587382684	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](Br)Cc1c(F)cccc1F)O2	ZINC000587382685	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](Br)Cc1c(F)cccc1F)O2	ZINC000587382687	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)c(F)c1)(C(C)(C)Br)O2	ZINC000587382737	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)c(F)c1)(C(C)(C)Br)O2	ZINC000587382741	HJ	Annotated	Anodyne	
Cc1ccc(-c2nn3ccnc(Cl)c3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587382751	HJ	Annotated	Anodyne	
Cc1ccc(-c2nn3ccnc(Cl)c3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587382756	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cccc1OC(F)(F)F)O2	ZINC000587382805	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cccc1OC(F)(F)F)O2	ZINC000587382807	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(C(F)(F)F)c1)O2	ZINC000587382939	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(C(F)(F)F)c1)O2	ZINC000587382940	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(C)c1OC(F)F)O2	ZINC000587382955	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(C)c1OC(F)F)O2	ZINC000587382956	HJ	Annotated	Anodyne	
CCCCC(F)(F)[C@@]1(CP(=O)(OC)OC)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587382959	HJ	Annotated	Anodyne	
CCCCC(F)(F)[C@]1(CP(=O)(OC)OC)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587382979	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1NC(=O)OCC(F)(F)F)O2	ZINC000587383042	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1NC(=O)OCC(F)(F)F)O2	ZINC000587383043	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1c(F)cc(F)cc1F)([C@@H](C)Br)O2	ZINC000587383086	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c(F)cc(F)cc1F)([C@@H](C)Br)O2	ZINC000587383087	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1c(F)cc(F)cc1F)([C@H](C)Br)O2	ZINC000587383088	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c(F)cc(F)cc1F)([C@H](C)Br)O2	ZINC000587383089	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1ccccc1)O2	ZINC000587383126	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nn(C)c1Oc1ccccc1)O2	ZINC000587383127	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1-c1ccc(F)c(C(=O)O)c1)O2	ZINC000587383169	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1-c1ccc(F)c(C(=O)O)c1)O2	ZINC000587383170	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](Cc1c(F)cccc1Cl)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587383210	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587383212	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587383214	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](Cc1c(F)cccc1Cl)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587383215	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCCl)(c1ccc(Br)cc1F)O2	ZINC000587383222	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCl)(c1ccc(Br)cc1F)O2	ZINC000587383225	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CCCN(c3ccc(C(F)(F)F)cc3)C1)O2	ZINC000587383345	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CCCN(c3ccc(C(F)(F)F)cc3)C1)O2	ZINC000587383346	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(c3ccc(C(F)(F)F)cc3)C1)O2	ZINC000587383348	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CCCN(c3ccc(C(F)(F)F)cc3)C1)O2	ZINC000587383349	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(Cc3ccc(C(F)(F)F)cc3)c1)O2	ZINC000587383598	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(Cc3ccc(C(F)(F)F)cc3)c1)O2	ZINC000587383608	HJ	Annotated	Anodyne	
CC(=O)N(c1ccc(F)cc1)c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1	ZINC000587383679	HJ	Annotated	Anodyne	
CC(=O)N(c1ccc(F)cc1)c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1	ZINC000587383685	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1cc(Cl)nc(Cl)n1)O2	ZINC000587383709	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1cc(Cl)nc(Cl)n1)O2	ZINC000587383712	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCCCC1OCCO1)(Cc1ccc(F)cc1)O2	ZINC000587383713	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCC1OCCO1)(Cc1ccc(F)cc1)O2	ZINC000587383722	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(OC(F)(F)F)c1)O2	ZINC000587383823	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(OC(F)(F)F)c1)O2	ZINC000587383824	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N3CCC(C(F)(F)F)CC3)s1)O2	ZINC000587384130	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(N3CCC(C(F)(F)F)CC3)s1)O2	ZINC000587384159	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1OC(F)(F)F)O2	ZINC000587384284	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1OC(F)(F)F)O2	ZINC000587384285	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(OC(F)(F)F)c1)O2	ZINC000587384294	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(OC(F)(F)F)c1)O2	ZINC000587384295	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F	ZINC000587384411	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F	ZINC000587384412	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c(F)c1	ZINC000587384431	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c(F)c1	ZINC000587384432	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-c3cc(F)cc(C(=O)O)c3)c1)O2	ZINC000587384443	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-c3cc(F)cc(C(=O)O)c3)c1)O2	ZINC000587384444	HJ	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1ccccc1F	ZINC000587384449	HJ	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1ccccc1F	ZINC000587384450	HJ	Annotated	Anodyne	
COC(=O)c1ccc(F)cc1-c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587384451	HJ	Annotated	Anodyne	
COC(=O)c1ccc(F)cc1-c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587384452	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C1CC1)([C@@H](Br)c1ccccc1F)O2	ZINC000587384843	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](C1CC1)([C@H](Br)c1ccccc1F)O2	ZINC000587384845	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CC1)([C@@H](Br)c1ccccc1F)O2	ZINC000587384846	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CC1)([C@H](Br)c1ccccc1F)O2	ZINC000587384847	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](CC1C(=O)CC(C)(C)CC1=O)(c1ccc(F)cc1)O2	ZINC000587384922	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CC1C(=O)CC(C)(C)CC1=O)(c1ccc(F)cc1)O2	ZINC000587384923	HJ	Annotated	Anodyne	
COCOc1cccc([C@@]2(c3ccc(F)cc3)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587384962	HJ	Annotated	Anodyne	
COCOc1cccc([C@]2(c3ccc(F)cc3)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587384963	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1-c1ccc(C(=O)O)c(F)c1)O2	ZINC000587385024	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1-c1ccc(C(=O)O)c(F)c1)O2	ZINC000587385025	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C(=O)N(C)C)cc3)cc1)O2	ZINC000587385062	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C(=O)N(C)C)cc3)cc1)O2	ZINC000587385066	HJ	Annotated	Anodyne	
CC(=O)N(c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1)c1ccccc1F	ZINC000587385178	HJ	Annotated	Anodyne	
CC(=O)N(c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1)c1ccccc1F	ZINC000587385180	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1F	ZINC000587385200	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1F	ZINC000587385201	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(=O)Nc1ccc(F)cc1F)(C(C)(C)C)O2	ZINC000587385308	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CC(=O)Nc1ccc(F)cc1F)(C(C)(C)C)O2	ZINC000587385312	HJ	Annotated	Anodyne	
CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587385353	HJ	Annotated	Bother	
CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587385355	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1ccc(I)cc1)O2	ZINC000587385432	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1ccc(I)cc1)O2	ZINC000587385437	HJ	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1C#N	ZINC000587385611	HJ	Annotated	Mild	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1C#N	ZINC000587385612	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)c3cc(F)ccc31)O2	ZINC000587385617	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)c3cc(F)ccc31)O2	ZINC000587385620	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1c(N)sc3c1CCC3)O2	ZINC000587385637	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1c(N)sc3c1CCC3)O2	ZINC000587385720	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c1)O2	ZINC000587386018	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c1)O2	ZINC000587386019	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccc(C(=O)O)cc3F)cc1)O2	ZINC000587386133	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccc(C(=O)O)cc3F)cc1)O2	ZINC000587386134	HJ	Annotated	Anodyne	
CCNC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1F	ZINC000587386153	HJ	Annotated	Anodyne	
CCNC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1F	ZINC000587386154	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(Oc2ccccc2F)=COc2cc(O)ccc21	ZINC000587386166	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(Oc2ccccc2F)=COc2cc(O)ccc21	ZINC000587386167	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-c3ccc(C(=O)O)c(F)c3)c1)O2	ZINC000587386206	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-c3ccc(C(=O)O)c(F)c3)c1)O2	ZINC000587386207	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC(c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)O2	ZINC000587386485	HJ	Annotated	Clean	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1ccc(F)cc1	ZINC000587386543	HJ	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1ccc(F)cc1	ZINC000587386544	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](Br)Cc1ccc(F)cc1F)O2	ZINC000587386667	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](Br)Cc1ccc(F)cc1F)O2	ZINC000587386668	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](Br)Cc1ccc(F)cc1F)O2	ZINC000587386669	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](Br)Cc1ccc(F)cc1F)O2	ZINC000587386671	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3cc(F)ccc3[N+](=O)[O-])o1)O2	ZINC000587386673	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3cc(F)ccc3[N+](=O)[O-])o1)O2	ZINC000587386676	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cc(C)n(-c3ccccc3F)c1C)O2	ZINC000587386723	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cc(C)n(-c3ccccc3F)c1C)O2	ZINC000587386727	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(=O)Nc1ccc(F)cc1C)(c1ccccc1)O2	ZINC000587386775	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CC(=O)Nc1ccc(F)cc1C)(c1ccccc1)O2	ZINC000587386776	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1-c1cc(F)cc(C(=O)O)c1)O2	ZINC000587386934	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1-c1cc(F)cc(C(=O)O)c1)O2	ZINC000587386936	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)c(C)cc1I)O2	ZINC000587386983	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)c(C)cc1I)O2	ZINC000587386985	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-c3ccc(C(=O)O)cc3F)c1)O2	ZINC000587387065	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-c3ccc(C(=O)O)cc3F)c1)O2	ZINC000587387066	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(I)cc1Cl)O2	ZINC000587387234	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(I)cc1Cl)O2	ZINC000587387235	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)c(I)c1)O2	ZINC000587387489	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)c(I)c1)O2	ZINC000587387490	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](C)N(C)Cc1ccccc1)O2	ZINC000587387796	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](C)N(C)Cc1ccccc1)O2	ZINC000587387797	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](C)N(C)Cc1ccccc1)O2	ZINC000587387798	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](C)N(C)Cc1ccccc1)O2	ZINC000587387799	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccccc1CNC(=O)OC(C)(C)C)O2	ZINC000587388133	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccccc1CNC(=O)OC(C)(C)C)O2	ZINC000587388134	HJ	Annotated	Anodyne	
CCNC(=O)c1cccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1	ZINC000587388184	HJ	Annotated	Anodyne	
CCNC(=O)c1cccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1	ZINC000587388185	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc1)O2	ZINC000587388410	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc1)O2	ZINC000587388412	HJ	Annotated	Bother	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C	ZINC000587388452	HJ	Annotated	Clean	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C	ZINC000587388454	HJ	Annotated	Clean	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3cccc([N+](=O)[O-])c3)nc3ccccn13)O2	ZINC000587388683	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3cccc([N+](=O)[O-])c3)nc3ccccn13)O2	ZINC000587388684	HJ	Annotated	Bother	
CC(=O)Nc1ccc(-n2c(C)cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1	ZINC000587388929	HJ	Annotated	Clean	
CC(=O)Nc1ccc(-n2c(C)cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1	ZINC000587388931	HJ	Annotated	Clean	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3ncc(C)cc13)O2	ZINC000587389006	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3ncc(C)cc13)O2	ZINC000587389007	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCc3ccccc3)c([N+](=O)[O-])c1)O2	ZINC000587389172	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCc3ccccc3)c([N+](=O)[O-])c1)O2	ZINC000587389173	HJ	Annotated	Bother	
C=Cn1c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc2c1CCN(Cc1ccccc1)C2	ZINC000587389298	HJ	Annotated	Anodyne	
C=Cn1c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc2c1CCN(Cc1ccccc1)C2	ZINC000587389299	HJ	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1ccc([N+](=O)[O-])cc1	ZINC000587389468	HJ	Annotated	Bother	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1ccc([N+](=O)[O-])cc1	ZINC000587389471	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cc4c(cc3C)OCCO4)c1C)O2	ZINC000587389500	HJ	Annotated	Clean	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3cc4c(cc3C)OCCO4)c1C)O2	ZINC000587389504	HJ	Annotated	Clean	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3ccc([N+](=O)[O-])c(C)c3)o1)O2	ZINC000587389585	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3ccc([N+](=O)[O-])c(C)c3)o1)O2	ZINC000587389589	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@]3(NC(=O)OC(C)(C)C)CC[C@@]1(C)C3(C)C)O2	ZINC000587389590	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@]3(NC(=O)OC(C)(C)C)CC[C@@]1(C)C3(C)C)O2	ZINC000587389603	HJ	Annotated	Anodyne	
COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587389678	HJ	Annotated	Bother	
COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587389682	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3)c1N1CCCCC1)O2	ZINC000587389732	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3)c1N1CCCCC1)O2	ZINC000587389733	HJ	Annotated	Anodyne	
COc1cccc([C@@]2(c3oc4ccccc4c3N)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587389776	HJ	Annotated	Anodyne	
COc1cccc([C@]2(c3oc4ccccc4c3N)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587389777	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C(=O)O)cc3)cc1[N+](=O)[O-])O2	ZINC000587389844	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C(=O)O)cc3)cc1[N+](=O)[O-])O2	ZINC000587389846	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)c3ccc(C#N)cc3)cc1)O2	ZINC000587389857	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)c3ccc(C#N)cc3)cc1)O2	ZINC000587389858	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C)n(-c3ccc(C(=O)O)cc3)c1C)O2	ZINC000587389930	HJ	Annotated	Clean	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C)n(-c3ccc(C(=O)O)cc3)c1C)O2	ZINC000587389937	HJ	Annotated	Clean	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3cccc(O)c13)O2	ZINC000587390166	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3cccc(O)c13)O2	ZINC000587390171	HJ	Annotated	Anodyne	
CC[C@@H](C)COc1cc([N+](=O)[O-])c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587390346	HJ	Annotated	Bother	
CC[C@H](C)COc1cc([N+](=O)[O-])c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587390348	HJ	Annotated	Bother	
CC[C@@H](C)COc1cc([N+](=O)[O-])c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587390350	HJ	Annotated	Bother	
CC[C@H](C)COc1cc([N+](=O)[O-])c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587390354	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc13)O2	ZINC000587390379	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc13)O2	ZINC000587390382	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)c3ccccc3)c([N+](=O)[O-])c1)O2	ZINC000587390503	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)c3ccccc3)c([N+](=O)[O-])c1)O2	ZINC000587390504	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1ccc([N+](=O)[O-])cc1)O2	ZINC000587390525	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1ccc([N+](=O)[O-])cc1)O2	ZINC000587390527	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(C(=O)O)cc3C)c1C)O2	ZINC000587390964	HJ	Annotated	Clean	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(C(=O)O)cc3C)c1C)O2	ZINC000587390965	HJ	Annotated	Clean	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(C(=O)O)c3)cc1[N+](=O)[O-])O2	ZINC000587391259	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(C(=O)O)c3)cc1[N+](=O)[O-])O2	ZINC000587391261	HJ	Annotated	Bother	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)Nc1ccccc1	ZINC000587391393	HJ	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)Nc1ccccc1	ZINC000587391394	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(-n2c(C)cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1	ZINC000587391667	HJ	Annotated	Clean	
CCOC(=O)c1ccc(-n2c(C)cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1	ZINC000587391675	HJ	Annotated	Clean	
COc1ccc(Oc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])cc1	ZINC000587391695	HJ	Annotated	Bother	
COc1ccc(Oc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])cc1	ZINC000587391697	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cc(C(=O)O)ccc3C)c1C)O2	ZINC000587391807	HJ	Annotated	Clean	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3cc(C(=O)O)ccc3C)c1C)O2	ZINC000587391809	HJ	Annotated	Clean	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn13)O2	ZINC000587391847	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn13)O2	ZINC000587391850	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(C[C@H]3COc4ccccc4O3)c1C)O2	ZINC000587391910	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(C[C@@H]3COc4ccccc4O3)c1C)O2	ZINC000587391918	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(C[C@@H]3COc4ccccc4O3)c1C)O2	ZINC000587391921	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(C[C@H]3COc4ccccc4O3)c1C)O2	ZINC000587391922	HJ	Annotated	Anodyne	
COc1cccc(-c2nn(C(C)(C)C)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587392197	HJ	Annotated	Anodyne	
COc1cccc(-c2nn(C(C)(C)C)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587392199	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OCC)c1-n1cccc1	ZINC000587392554	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OCC)c1-n1cccc1	ZINC000587392555	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccccc3)nc1-c1cccnc1)O2	ZINC000587392619	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccccc3)nc1-c1cccnc1)O2	ZINC000587392620	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3nn(-c4ccccc4)cc3C=O)o1)O2	ZINC000587392641	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3nn(-c4ccccc4)cc3C=O)o1)O2	ZINC000587392642	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1ccc(C=O)o1)O2	ZINC000587392895	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(C=O)o1)O2	ZINC000587392896	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3cn4cccc(C)c4n3)cc1)O2	ZINC000587392978	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3cn4cccc(C)c4n3)cc1)O2	ZINC000587392979	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(-c2ncccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587393308	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(-c2ncccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587393309	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc4c(c3)CCCC4)nc3ncccn13)O2	ZINC000587393312	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc4c(c3)CCCC4)nc3ncccn13)O2	ZINC000587393313	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3cc(C)ccn3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587393486	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3cc(C)ccn3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587393487	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3cc(C)c(C)cc3C)nc3ncccn13)O2	ZINC000587393713	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3cc(C)c(C)cc3C)nc3ncccn13)O2	ZINC000587393714	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nc3ccccn3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587393832	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nc3ccccn3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587393833	HJ	Annotated	Anodyne	
CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587394091	HJ	Annotated	Anodyne	
CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587394092	HJ	Annotated	Anodyne	
COc1cccc(-c2nc3ccc(C)cn3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587394257	HJ	Annotated	Anodyne	
COc1cccc(-c2nc3ccc(C)cn3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587394258	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OCc3cn4ccccc4n3)c1)O2	ZINC000587394261	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OCc3cn4ccccc4n3)c1)O2	ZINC000587394262	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c(C)c(C=O)c3ccccn13)O2	ZINC000587394273	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(C)c(C=O)c3ccccn13)O2	ZINC000587394274	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3c(=O)c4cc(C)ccc4oc3nc1C)O2	ZINC000587394382	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3c(=O)c4cc(C)ccc4oc3nc1C)O2	ZINC000587394383	HJ	Annotated	Bother	
COc1ccc(-c2nc3c(C)cccn3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587394437	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3c(C)cccn3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587394438	HJ	Annotated	Anodyne	
COc1ccc(C)cc1-c1nc2ccccn2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587394488	HJ	Annotated	Anodyne	
COc1ccc(C)cc1-c1nc2ccccn2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587394489	HJ	Annotated	Anodyne	
C=CN1CCCC[C@@H]([C@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O	ZINC000587394912	HJ	Annotated	Anodyne	
C=CN1CCCC[C@H]([C@@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O	ZINC000587394921	HJ	Annotated	Anodyne	
C=CN1CCCC[C@H]([C@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O	ZINC000587394922	HJ	Annotated	Anodyne	
C=CN1CCCC[C@@H]([C@@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O	ZINC000587394926	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC(C)(C)c3c1[nH]c1ccc(C(=O)O)cc31)O2	ZINC000587395653	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC(C)(C)c3c1[nH]c1ccc(C(=O)O)cc31)O2	ZINC000587395654	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(c3ccc4nc(O)oc4c3)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587395874	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(c3ccc4nc(O)oc4c3)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587395876	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccnc1	ZINC000587395921	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccnc1	ZINC000587395924	HJ	Annotated	Anodyne	
C=CCn1c2ccccc2n2nc(C)c([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c12	ZINC000587396164	HJ	Annotated	Mild	
C=CCn1c2ccccc2n2nc(C)c([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c12	ZINC000587396165	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1)O2	ZINC000587396235	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1)O2	ZINC000587396237	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1)O2	ZINC000587396240	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1)O2	ZINC000587396243	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCN1C[C@@H](C)C[C@H](C)C1)O2	ZINC000587396456	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCN1C[C@@H](C)C[C@@H](C)C1)O2	ZINC000587396457	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCN1C[C@H](C)C[C@@H](C)C1)O2	ZINC000587396458	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCCN1C[C@@H](C)C[C@@H](C)C1)O2	ZINC000587396459	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)O2	ZINC000587396645	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H]1CCCCCN1C(=O)OC(C)(C)C)O2	ZINC000587396648	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)O2	ZINC000587396650	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@H]1CCCCCN1C(=O)OC(C)(C)C)O2	ZINC000587396652	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC1)O2	ZINC000587397507	HJ	Annotated	Anodyne	
COc1ccc([C@]2(c3ccccc3OC)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1	ZINC000587397612	HJ	Annotated	Anodyne	
COc1cccc(COc2c(OC)cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587397614	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(c3ccccc3OC)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1	ZINC000587397615	HJ	Annotated	Anodyne	
COc1cccc(COc2c(OC)cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587397616	HJ	Annotated	Anodyne	
C=CCOc1ccc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(O)c1	ZINC000587398216	HJ	Annotated	Mild	
C=CCOc1ccc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(O)c1	ZINC000587398217	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3ccccc3C(=O)O)c1)O2	ZINC000587398265	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3ccccc3C(=O)O)c1)O2	ZINC000587398266	HJ	Annotated	Anodyne	
COc1ccc(C=O)cc1COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587398291	HJ	Annotated	Anodyne	
COc1ccc(C=O)cc1COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587398293	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](Cc1ccc(C(C)C)cc1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398332	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398333	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398334	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](Cc1ccc(C(C)C)cc1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398335	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC1)O2	ZINC000587398423	HJ	Annotated	Anodyne	
COC(OC)(c1ccccc1)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398535	HJ	Annotated	Anodyne	
COC(OC)(c1ccccc1)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398536	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(CCC(=O)OCc3ccccc3)c1)O2	ZINC000587398566	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(CCC(=O)OCc3ccccc3)c1)O2	ZINC000587398567	HJ	Annotated	Anodyne	
COc1cccc(OCc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2OC)c1	ZINC000587398569	HJ	Annotated	Anodyne	
COc1cccc(OCc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2OC)c1	ZINC000587398571	HJ	Annotated	Anodyne	
COC(=O)c1ccc(COc2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587398587	HJ	Annotated	Anodyne	
COC(=O)c1ccc(COc2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587398589	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC13CCN(C(=O)OC(C)(C)C)CC3)O2	ZINC000587398859	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC13CCN(C(=O)OC(C)(C)C)CC3)O2	ZINC000587398860	HJ	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OCc2ccccc2)c1OC	ZINC000587399001	HJ	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OCc2ccccc2)c1OC	ZINC000587399003	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399005	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399008	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1	ZINC000587399080	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1	ZINC000587399085	HJ	Annotated	Anodyne	
COc1cc(OCc2ccccc2)cc(OC)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399200	HJ	Annotated	Anodyne	
COc1cc(OCc2ccccc2)cc(OC)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399201	HJ	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)c1ccccc1	ZINC000587399257	HJ	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)c1ccccc1	ZINC000587399259	HJ	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOc1ccccc1	ZINC000587399308	HJ	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOc1ccccc1	ZINC000587399311	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](COc1ccc(C=O)cc1)(c1ccc(C)c(C)c1)O2	ZINC000587399368	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](COc1ccc(C=O)cc1)(c1ccc(C)c(C)c1)O2	ZINC000587399374	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccccc3)c(C(=O)O)c1)O2	ZINC000587399429	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccccc3)c(C(=O)O)c1)O2	ZINC000587399432	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1OC	ZINC000587399558	HJ	Annotated	Anodyne	
COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1OC	ZINC000587399560	HJ	Annotated	Anodyne	
COc1cccc(COc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)c1	ZINC000587399582	HJ	Annotated	Anodyne	
COc1cccc(COc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)c1	ZINC000587399585	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccccc2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587399597	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccccc2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587399598	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(CCC3(CCCN3C(=O)OC(C)(C)C)CC1)O2	ZINC000587399616	HJ	Annotated	Anodyne	
CCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CN1CCCCC1	ZINC000587399639	HJ	Annotated	Anodyne	
CCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CN1CCCCC1	ZINC000587399640	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)CCCN3C(=O)OC(C)(C)C)O2	ZINC000587399665	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)CCCN3C(=O)OC(C)(C)C)O2	ZINC000587399666	HJ	Annotated	Anodyne	
COC(=O)C[C@@]1(c2ccccc2Oc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399950	HJ	Annotated	Anodyne	
COC(=O)C[C@]1(c2ccccc2Oc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399951	HJ	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OCc1ccccc1	ZINC000587399956	HJ	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OCc1ccccc1	ZINC000587399958	HJ	Annotated	Anodyne	
COC(=O)c1ccc(COc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1	ZINC000587400143	HJ	Annotated	Anodyne	
COC(=O)c1ccc(COc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1	ZINC000587400145	HJ	Annotated	Anodyne	
COC(=O)[C@H](Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1)c1ccccc1	ZINC000587400289	HJ	Annotated	Anodyne	
COC(=O)[C@@H](Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1)c1ccccc1	ZINC000587400293	HJ	Annotated	Anodyne	
COC(=O)[C@@H](Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1)c1ccccc1	ZINC000587400295	HJ	Annotated	Anodyne	
COC(=O)[C@H](Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1)c1ccccc1	ZINC000587400296	HJ	Annotated	Anodyne	
COC(=O)c1cccc(-c2cccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)c1	ZINC000587400335	HJ	Annotated	Anodyne	
COC(=O)c1cccc(-c2cccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)c1	ZINC000587400337	HJ	Annotated	Anodyne	
CC[C@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@@H](CC)N1C(=O)OC(C)(C)C	ZINC000587400442	HJ	Annotated	Anodyne	
CC[C@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@@H](CC)N1C(=O)OC(C)(C)C	ZINC000587400443	HJ	Annotated	Anodyne	
COC(=O)c1cccc(COc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1	ZINC000587400578	HJ	Annotated	Anodyne	
COC(=O)c1cccc(COc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1	ZINC000587400579	HJ	Annotated	Anodyne	
COc1ccc(COc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)cc1	ZINC000587400705	HJ	Annotated	Anodyne	
COc1ccc(COc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)cc1	ZINC000587400707	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)N(C(=O)OC(C)(C)C)CCC3)O2	ZINC000587400848	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)N(C(=O)OC(C)(C)C)CCC3)O2	ZINC000587400849	HJ	Annotated	Anodyne	
COc1ccccc1[C@]1(C[C@@H]2CCCC[C@H]2C(=O)O)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587400906	HJ	Annotated	Anodyne	
COc1ccccc1[C@@]1(C[C@@H]2CCCC[C@H]2C(=O)O)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587400919	HJ	Annotated	Anodyne	
COC(=O)c1cccc(-c2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)c1	ZINC000587400949	HJ	Annotated	Anodyne	
COC(=O)c1cccc(-c2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)c1	ZINC000587400951	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1ccc(C(=O)O)cc1)O2	ZINC000587400979	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1ccc(C(=O)O)cc1)O2	ZINC000587400982	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1C=O	ZINC000587400994	HJ	Annotated	Anodyne	
COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1C=O	ZINC000587400996	HJ	Annotated	Anodyne	
COC(=O)/C=C\COc1ccc2ccccc2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587401308	HJ	Annotated	Anodyne	
COC(=O)/C=C/COc1ccc2ccccc2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587401313	HJ	Annotated	Anodyne	
COC(=O)/C=C/COc1ccc2ccccc2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587401315	HJ	Annotated	Anodyne	
COC(=O)/C=C\COc1ccc2ccccc2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587401317	HJ	Annotated	Anodyne	
COc1ccc(C=O)cc1COc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587401358	HJ	Annotated	Anodyne	
COc1ccc(C=O)cc1COc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587401359	HJ	Annotated	Anodyne	
COC(=O)c1ccccc1-c1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587401388	HJ	Annotated	Anodyne	
COC(=O)c1ccccc1-c1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587401390	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O[C@H](C(=O)O)c3ccccc3)cc1)O2	ZINC000587401602	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CCCCC[C@H]1CN(Cc1ccccc1)C2	ZINC000587401644	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3c1N(C(=O)OC(C)(C)C)CCC3)O2	ZINC000587401647	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3c1N(C(=O)OC(C)(C)C)CCC3)O2	ZINC000587401648	HJ	Annotated	Anodyne	
COc1cccc(COc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2OC)c1	ZINC000587401734	HJ	Annotated	Anodyne	
COc1cccc(COc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2OC)c1	ZINC000587401736	HJ	Annotated	Anodyne	
COC(=O)c1cccc(-c2ccccc2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587401833	HJ	Annotated	Anodyne	
COC(=O)c1cccc(-c2ccccc2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587401834	HJ	Annotated	Anodyne	
COc1cccc(OC(=O)c2ccccc2)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587401837	HJ	Annotated	Anodyne	
COc1cccc(OC(=O)c2ccccc2)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587401838	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(c3ccc(OC)cc3OC)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587401844	HJ	Annotated	Anodyne	
COc1ccc([C@]2(c3ccc(OC)cc3OC)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587401845	HJ	Annotated	Anodyne	
COc1cc(OCc2ccccc2)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587401846	HJ	Annotated	Anodyne	
COc1cc(OCc2ccccc2)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587401847	HJ	Annotated	Anodyne	
COC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587401862	HJ	Annotated	Anodyne	
COC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587401863	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cccc(C=O)c1	ZINC000587401892	HJ	Annotated	Anodyne	
COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cccc(C=O)c1	ZINC000587401893	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O[C@@H](C(=O)O)c3ccccc3)cc1)O2	ZINC000587401904	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O[C@@H](C(=O)O)c3ccccc3)cc1)O2	ZINC000587401907	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O[C@H](C(=O)O)c3ccccc3)cc1)O2	ZINC000587401910	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3c1CCN(C(=O)OC(C)(C)C)C3)O2	ZINC000587402394	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3c1CCN(C(=O)OC(C)(C)C)C3)O2	ZINC000587402395	HJ	Annotated	Anodyne	
COc1ccc(C[C@]2(c3ccc(OC)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587402410	HJ	Annotated	Anodyne	
COc1ccc(C[C@@]2(c3ccc(OC)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587402411	HJ	Annotated	Anodyne	
CC1=C(C)C[C@@H](C(=O)O)[C@@H]([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)C1	ZINC000587402997	HJ	Annotated	Anodyne	
CC1=C(C)C[C@H]([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)[C@@H](C(=O)O)C1	ZINC000587403002	HJ	Annotated	Anodyne	
CC1=C(C)C[C@H]([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)[C@@H](C(=O)O)C1	ZINC000587403006	HJ	Annotated	Anodyne	
CC1=C(C)C[C@@H](C(=O)O)[C@@H]([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)C1	ZINC000587403009	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc([C@H](C)C(=O)O)c1)O2	ZINC000587403099	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc([C@H](C)C(=O)O)c1)O2	ZINC000587403100	HJ	Annotated	Anodyne	
COc1ccc(CC[C@]2(C3(O)CCCCC3)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587403628	HJ	Annotated	Anodyne	
COc1ccc(CC[C@@]2(C3(O)CCCCC3)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587403631	HJ	Annotated	Anodyne	
COc1ccc(C(=O)Oc2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1	ZINC000587404390	HJ	Annotated	Anodyne	
COc1ccc(C(=O)Oc2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1	ZINC000587404391	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc([C@@H](C)C(=O)O)c1)O2	ZINC000587406088	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc([C@@H](C)C(=O)O)c1)O2	ZINC000587406089	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)Oc1ccc3c(C)c(C)c(=O)oc3c1C)O2	ZINC000587406226	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)Oc1ccc3c(C)c(C)c(=O)oc3c1C)O2	ZINC000587406231	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)Oc1ccc3c(C)c(C)c(=O)oc3c1C)O2	ZINC000587406233	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)Oc1ccc3c(C)c(C)c(=O)oc3c1C)O2	ZINC000587406234	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc3c(c1)-c1ccccc1C3)O2	ZINC000587406461	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc3c(c1)-c1ccccc1C3)O2	ZINC000587406465	HJ	Annotated	Anodyne	
COc1ccc(-c2cc3c(cc2[C@@H]2CC(=O)c4cc(C)cc(N)c4O2)OCO3)cc1	ZINC000587406888	HJ	Annotated	Anodyne	
COc1ccc(-c2cc3c(cc2[C@H]2CC(=O)c4cc(C)cc(N)c4O2)OCO3)cc1	ZINC000587406890	HJ	Annotated	Anodyne	
COc1cc(O)cc2c1[C@]1(C=C(c3ccccc3)O2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587406921	HJ	Annotated	Anodyne	
COc1cc(O)cc2c1[C@@]1(C=C(c3ccccc3)O2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587406922	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Oc2ccc([C@@H](C)C(=O)O)cc21	ZINC000587407041	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Oc2ccc([C@H](C)C(=O)O)cc21	ZINC000587407043	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Oc2ccc([C@@H](C)C(=O)O)cc21	ZINC000587407044	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Oc2ccc([C@H](C)C(=O)O)cc21	ZINC000587407293	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)Oc1cc(C)cc3oc(=O)c(C)c(C)c13)O2	ZINC000587407357	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)Oc1cc(C)cc3oc(=O)c(C)c(C)c13)O2	ZINC000587407359	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)Oc1cc(C)cc3oc(=O)c(C)c(C)c13)O2	ZINC000587407360	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)Oc1cc(C)cc3oc(=O)c(C)c(C)c13)O2	ZINC000587407362	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C)ccc1C)(c1ccccc1C(=O)O)O2	ZINC000587407366	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C)ccc1C)(c1ccccc1C(=O)O)O2	ZINC000587407370	HJ	Annotated	Anodyne	
CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c12	ZINC000587407398	HJ	Annotated	Anodyne	
CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)[C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c12	ZINC000587407400	HJ	Annotated	Anodyne	
CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)[C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c12	ZINC000587407402	HJ	Annotated	Anodyne	
CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c12	ZINC000587407403	HJ	Annotated	Anodyne	
CCc1ccc([C@]2([C@H]3CCCC[C@H]3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587407455	HJ	Annotated	Anodyne	
CCc1ccc([C@@]2([C@H]3CCCC[C@H]3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587407457	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(SCc3ccccc3)ccc21	ZINC000587407683	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(SCc3ccccc3)ccc21	ZINC000587407684	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-c3ccc(CC(=O)O)cc3)c1)O2	ZINC000587407725	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-c3ccc(CC(=O)O)cc3)c1)O2	ZINC000587407733	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1ccccn1	ZINC000587407971	HJ	Annotated	Anodyne	
COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1ccccn1	ZINC000587407972	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)OCC	ZINC000587407980	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)OCC	ZINC000587407982	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1ccc3c(c1)OCO3)O2	ZINC000587408240	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1ccc3c(c1)OCO3)O2	ZINC000587408242	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(Br)s1)O2	ZINC000587408284	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(Br)s1)O2	ZINC000587408285	HJ	Annotated	Anodyne	
CSc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587408333	HJ	Annotated	Anodyne	
CSc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587408348	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(=O)(=O)CC3CCCCC3)cc1)O2	ZINC000587408437	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(=O)(=O)CC3CCCCC3)cc1)O2	ZINC000587408441	HJ	Annotated	Anodyne	
CCOC(=O)C(C)(C)C[C@@]1(CSC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587408529	HJ	Annotated	Anodyne	
CCOC(=O)C(C)(C)C[C@]1(CSC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587408530	HJ	Annotated	Anodyne	
CCc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587408617	HJ	Annotated	Anodyne	
CCc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587408618	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1ncccn1	ZINC000587408692	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1ncccn1	ZINC000587408695	HJ	Annotated	Anodyne	
Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)c(C)c1	ZINC000587408914	HJ	Annotated	Anodyne	
Cc1cc(C)c([C@H]2C(=O)OC3(CCCC3)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)c(C)c1	ZINC000587408917	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-c3cccc(CC(=O)O)c3)c1)O2	ZINC000587408981	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-c3cccc(CC(=O)O)c3)c1)O2	ZINC000587408982	HJ	Annotated	Anodyne	
Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@]23CC(=O)c2cc(C)cc(N)c2O3)c(C)c1	ZINC000587409065	HJ	Annotated	Anodyne	
Cc1cc(C)c([C@H]2C(=O)OC3(CCCC3)[C@]23CC(=O)c2cc(C)cc(N)c2O3)c(C)c1	ZINC000587409066	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(c3ccc(CC#N)s3)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587409225	HJ	Annotated	Mild	
COc1ccc([C@]2(c3ccc(CC#N)s3)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587409236	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)sc1Br)O2	ZINC000587409303	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)sc1Br)O2	ZINC000587409304	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C)c(C)c1)(c1ccccc1C(=O)O)O2	ZINC000587409481	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C)c(C)c1)(c1ccccc1C(=O)O)O2	ZINC000587409482	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587409807	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587409813	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1cc(Cl)sc1Cl)O2	ZINC000587409839	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1cc(Cl)sc1Cl)O2	ZINC000587409843	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(CSc3ccccc3)nn(C)c1Cl)O2	ZINC000587409973	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(CSc3ccccc3)nn(C)c1Cl)O2	ZINC000587409975	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1ccccc1C(=O)O)(c1ccccc1)O2	ZINC000587410046	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1ccccc1C(=O)O)(c1ccccc1)O2	ZINC000587410051	HJ	Annotated	Anodyne	
CC1=C(Oc2ccccc2)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(O)cc2O1	ZINC000587410056	HJ	Annotated	Anodyne	
CC1=C(Oc2ccccc2)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(O)cc2O1	ZINC000587410057	HJ	Annotated	Anodyne	
C=CCSc1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n1Cc1ccccc1	ZINC000587410319	HJ	Annotated	Mild	
C=CCSc1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n1Cc1ccccc1	ZINC000587410320	HJ	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(S(=O)(=O)CC3CCCCC3)c1)O2	ZINC000587410341	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(S(=O)(=O)CC3CCCCC3)c1)O2	ZINC000587410342	HJ	Annotated	Anodyne	
CCc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)s1	ZINC000587410478	HJ	Annotated	Anodyne	
CCc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)s1	ZINC000587410479	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1scc(Br)c1Br)O2	ZINC000587410505	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1scc(Br)c1Br)O2	ZINC000587410506	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(Br)c1Br)O2	ZINC000587410512	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(Br)c1Br)O2	ZINC000587410513	HJ	Annotated	Anodyne	
COc1cc(O)cc2c1[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@@H](c1ccccc1)O2	ZINC000587410563	HJ	Annotated	Anodyne	
COc1cc(O)cc2c1[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@@H](c1ccccc1)O2	ZINC000587410564	HJ	Annotated	Anodyne	
COc1ccc(C2=COc3cc(O)ccc3[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1	ZINC000587410599	HJ	Annotated	Anodyne	
COc1ccc(C2=COc3cc(O)ccc3[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1	ZINC000587410600	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCCC(=O)O)(c1ccc(Br)s1)O2	ZINC000587410797	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCC(=O)O)(c1ccc(Br)s1)O2	ZINC000587410799	HJ	Annotated	Anodyne	
CCCc1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587410938	HJ	Annotated	Reactive	
CCCc1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587410940	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1Br)[C@@H](C2)C3=O	ZINC000587411028	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1Br)[C@@H](C2)C3=O	ZINC000587411032	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3cnc(Cl)s3)cc1)O2	ZINC000587411090	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3cnc(Cl)s3)cc1)O2	ZINC000587411094	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(C(C)(C)C)cc(Br)c1O)[C@@H](C2)C3=O	ZINC000587411116	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(C(C)(C)C)cc(Br)c1O)[C@@H](C2)C3=O	ZINC000587411126	HJ	Annotated	Anodyne	
CCc1c(C#N)c(S)nc2c1[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)CC(C)(C)C2	ZINC000587411132	HJ	Annotated	Mild	
CCc1c(C#N)c(S)nc2c1[C@]1(CC(=O)c3cc(C)cc(N)c3O1)CC(C)(C)C2	ZINC000587411148	HJ	Annotated	Mild	
CC(=O)N(c1ccc(C)cc1)c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1	ZINC000587411239	HJ	Annotated	Anodyne	
CC(=O)N(c1ccc(C)cc1)c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1	ZINC000587411241	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CBr)(c1oc4ccccc4c1C)[C@@H](C2)C3=O	ZINC000587411508	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CBr)(c1oc4ccccc4c1C)[C@@H](C2)C3=O	ZINC000587411515	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@H](c1c(Br)cccc1N1CCCC1)[C@@H](C2)C3=O	ZINC000587411524	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(Br)cccc1N1CCCC1)[C@@H](C2)C3=O	ZINC000587411525	HJ	Annotated	Anodyne	
C=CCCOc1cc(Br)ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587411526	HJ	Annotated	Mild	
C=CCCOc1cc(Br)ccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587411528	HJ	Annotated	Mild	
CCOC(=O)c1sc(SC)c2c1CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587411538	HJ	Annotated	Anodyne	
CCOC(=O)c1sc(SC)c2c1CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587411539	HJ	Annotated	Anodyne	
CCCOc1cc(Br)ccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587411543	HJ	Annotated	Anodyne	
CCCOc1cc(Br)ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587411545	HJ	Annotated	Anodyne	
CCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br	ZINC000587411564	HJ	Annotated	Anodyne	
CCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br	ZINC000587411565	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CBr)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O	ZINC000587411623	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CBr)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O	ZINC000587411626	HJ	Annotated	Reactive	
C=CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br	ZINC000587411631	HJ	Annotated	Mild	
C=CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br	ZINC000587411632	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1OC(C)C)[C@@H](C2)C3=O	ZINC000587411647	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1OC(C)C)[C@@H](C2)C3=O	ZINC000587411650	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(CC(C)C)cc1)[C@@H](C2)C3=O	ZINC000587411663	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](CBr)(c1ccc(CC(C)C)cc1)[C@@H](C2)C3=O	ZINC000587411669	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(COc3ccc(Cl)cc3)n1)O2	ZINC000587411901	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(COc3ccc(Cl)cc3)n1)O2	ZINC000587411902	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccc(Br)c1Br)[C@@H](C2)C3=O	ZINC000587412024	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccc(Br)c1Br)[C@@H](C2)C3=O	ZINC000587412027	HJ	Annotated	Anodyne	
COc1cccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587412310	HJ	Annotated	Anodyne	
COc1cccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587412314	HJ	Annotated	Anodyne	
COc1cccc([C@@]2(c3coc4ccc(O)cc34)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587412345	HJ	Annotated	Anodyne	
COc1cccc([C@]2(c3coc4ccc(O)cc34)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587412348	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Cl)c(C)c1)[C@@H](C2)C3=O	ZINC000587412394	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Cl)c(C)c1)[C@@H](C2)C3=O	ZINC000587412395	HJ	Annotated	Reactive	
COc1ccc(-c2nc3scc(C)n3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587412400	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3scc(C)n3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587412401	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CBr)(c1ccc(N=[N+]=[N-])cc1)[C@@H](C2)C3=O	ZINC000587412676	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(N=[N+]=[N-])cc1)[C@@H](C2)C3=O	ZINC000587412680	HJ	Annotated	Reactive	
Cc1ccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587412863	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587412864	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(c3c(N)sc4c3CCOC4)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587412893	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(c3c(N)sc4c3CCOC4)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587412896	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](Cc1ccccc1Br)(C(C)C)[C@@H](C2)C3=O	ZINC000587412945	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](Cc1ccccc1Br)(C(C)C)[C@@H](C2)C3=O	ZINC000587412950	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)c(Br)cc1C)[C@@H](C2)C3=O	ZINC000587412999	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)c(Br)cc1C)[C@@H](C2)C3=O	ZINC000587413003	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC(C)C)cc1)[C@@H](C2)C3=O	ZINC000587413050	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c(N)sc3c1CCSC3)O2	ZINC000587413193	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(N)sc3c1CCSC3)O2	ZINC000587413211	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CSc1nc3ccc([N+](=O)[O-])cc3s1)O2	ZINC000587413235	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CSc1nc3ccc([N+](=O)[O-])cc3s1)O2	ZINC000587413236	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC(C)C)cc1)[C@@H](C2)C3=O	ZINC000587413265	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CBr)(c1cccc4ccccc14)[C@@H](C2)C3=O	ZINC000587413270	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](CBr)(c1cccc4ccccc14)[C@@H](C2)C3=O	ZINC000587413275	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1N1CCCC1)[C@@H](C2)C3=O	ZINC000587413277	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1N1CCCC1)[C@@H](C2)C3=O	ZINC000587413279	HJ	Annotated	Anodyne	
COc1ccc(C)cc1-c1nc2sccn2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587413352	HJ	Annotated	Anodyne	
COc1ccc(C)cc1-c1nc2sccn2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587413353	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C(C)C)cc1)[C@@H](C2)C3=O	ZINC000587413379	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C(C)C)cc1)[C@@H](C2)C3=O	ZINC000587413380	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@H](c1ccc(OC(C)C)c(Br)c1)[C@@H](C2)C3=O	ZINC000587413393	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC(C)C)c(Br)c1)[C@@H](C2)C3=O	ZINC000587413394	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@@H](C#N)c1nc(-c3ccccc3)cs1)O2	ZINC000587413453	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@@H](C#N)c1nc(-c3ccccc3)cs1)O2	ZINC000587413454	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@H](C#N)c1nc(-c3ccccc3)cs1)O2	ZINC000587413455	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@H](C#N)c1nc(-c3ccccc3)cs1)O2	ZINC000587413456	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3nc(C)cs3)c1C)O2	ZINC000587413463	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3nc(C)cs3)c1C)O2	ZINC000587413464	HJ	Annotated	Reactive	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1cccs1	ZINC000587413477	HJ	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1cccs1	ZINC000587413479	HJ	Annotated	Anodyne	
CCCC(=O)N(c1nc(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1)C1CC1	ZINC000587413527	HJ	Annotated	Anodyne	
CCCC(=O)N(c1nc(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1)C1CC1	ZINC000587413531	HJ	Annotated	Anodyne	
COc1cccc(-c2nc3sccn3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587413590	HJ	Annotated	Anodyne	
COc1cccc(-c2nc3sccn3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587413603	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3nc(Br)sc31)O2	ZINC000587413652	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3nc(Br)sc31)O2	ZINC000587413653	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccco1)(c1c(N)sc3c1CC[C@H](C)C3)O2	ZINC000587413654	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccco1)(c1c(N)sc3c1CC[C@H](C)C3)O2	ZINC000587413655	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccco1)(c1c(N)sc3c1CC[C@@H](C)C3)O2	ZINC000587413656	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccco1)(c1c(N)sc3c1CC[C@@H](C)C3)O2	ZINC000587413657	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(Cc1ccc(Cl)cc1Br)[C@@H](C2)C3=O	ZINC000587413691	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(Cl)cc1Br)[C@@H](C2)C3=O	ZINC000587413692	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(Br)c(Br)c1)[C@@H](C2)C3=O	ZINC000587413698	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c(Br)c1)[C@@H](C2)C3=O	ZINC000587413702	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c(s1)CN(C(=O)OC(C)(C)C)CC3)O2	ZINC000587413723	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c(s1)CN(C(=O)OC(C)(C)C)CC3)O2	ZINC000587413724	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(NC(=O)OC(C)(C)C)nc1Cl)O2	ZINC000587413826	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(NC(=O)OC(C)(C)C)nc1Cl)O2	ZINC000587413827	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc3cc(C(=O)O)ccc3o1)O2	ZINC000587413903	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc3cc(C(=O)O)ccc3o1)O2	ZINC000587413906	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCC4)([C@H](C)Br)[C@@H](C2)C3=O	ZINC000587414024	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCC4)([C@@H](C)Br)[C@@H](C2)C3=O	ZINC000587414028	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCC4)([C@@H](C)Br)[C@@H](C2)C3=O	ZINC000587414029	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCC4)([C@H](C)Br)[C@@H](C2)C3=O	ZINC000587414030	HJ	Annotated	Reactive	
CCN(CC)c1cccc(Br)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587414039	HJ	Annotated	Anodyne	
CCN(CC)c1cccc(Br)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587414044	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](Br)C(C)C)[C@@H](C2)C3=O	ZINC000587414076	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](Br)C(C)C)[C@@H](C2)C3=O	ZINC000587414084	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](Br)C(C)C)[C@@H](C2)C3=O	ZINC000587414086	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](Br)C(C)C)[C@@H](C2)C3=O	ZINC000587414088	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4ccccc4c1)[C@@H](C2)C3=O	ZINC000587414118	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](CBr)(c1ccc4ccccc4c1)[C@@H](C2)C3=O	ZINC000587414119	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O	ZINC000587414120	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](CBr)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O	ZINC000587414121	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccc4nsnc4c3)cc1)O2	ZINC000587414126	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccc4nsnc4c3)cc1)O2	ZINC000587414133	HJ	Annotated	Anodyne	
CCOc1c(Cl)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br	ZINC000587414161	HJ	Annotated	Anodyne	
CCOc1c(Cl)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br	ZINC000587414165	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(Br)cccc1Br)[C@@H](C2)C3=O	ZINC000587414174	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(Br)cccc1Br)[C@@H](C2)C3=O	ZINC000587414175	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc([N+](=O)[O-])cc3)nc3sccn13)O2	ZINC000587414204	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc([N+](=O)[O-])cc3)nc3sccn13)O2	ZINC000587414205	HJ	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3nccs3)c1C)O2	ZINC000587414244	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3nccs3)c1C)O2	ZINC000587414245	HJ	Annotated	Reactive	
CCN(CC)c1cc(Br)ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587414332	HJ	Annotated	Anodyne	
CCN(CC)c1cc(Br)ccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587414334	HJ	Annotated	Anodyne	
COc1ccccc1Nc1nc(Cl)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)s1	ZINC000587414355	HJ	Annotated	Anodyne	
COc1ccccc1Nc1nc(Cl)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)s1	ZINC000587414357	HJ	Annotated	Anodyne	
COC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2sc3ccccc3n12	ZINC000587414361	HJ	Annotated	Anodyne	
COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2sc3ccccc3n12	ZINC000587414366	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(OC)c(Br)c1)[C@@H](C2)C3=O	ZINC000587414553	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(c3coc4ccc(O)cc34)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587414557	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(OC)c(Br)c1)[C@@H](C2)C3=O	ZINC000587414558	HJ	Annotated	Anodyne	
COc1ccc([C@]2(c3coc4ccc(O)cc34)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587414562	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C4OCCO4)cc3)cc1)O2	ZINC000587414578	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C4OCCO4)cc3)cc1)O2	ZINC000587414582	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(Br)c1OC)[C@@H](C2)C3=O	ZINC000587414597	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3cnc(Cl)s3)c1)O2	ZINC000587414679	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3cnc(Cl)s3)c1)O2	ZINC000587414680	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc(Nc3ccc(Cl)cn3)s1)O2	ZINC000587414689	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc(Nc3ccc(Cl)cn3)s1)O2	ZINC000587414690	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(Br)c1OC)[C@@H](C2)C3=O	ZINC000587414705	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1cnc(Cl)s1)O2	ZINC000587414767	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1cnc(Cl)s1)O2	ZINC000587414770	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OCCBr)c(Cl)c1)[C@@H](C2)C3=O	ZINC000587414908	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@H](c1ccc(OCCBr)c(Cl)c1)[C@@H](C2)C3=O	ZINC000587414910	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](c1cccc(Cl)c1)([C@H](C)Br)[C@@H](C2)C3=O	ZINC000587414911	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](c1cccc(Cl)c1)([C@@H](C)Br)[C@@H](C2)C3=O	ZINC000587414913	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](c1cccc(Cl)c1)([C@H](C)Br)[C@@H](C2)C3=O	ZINC000587414915	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1Br)[C@@H](C2)C3=O	ZINC000587414916	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1cccc(Cl)c1)([C@@H](C)Br)[C@@H](C2)C3=O	ZINC000587414917	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1Br)[C@@H](C2)C3=O	ZINC000587414918	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@H](c1ccccc1)O2	ZINC000587415027	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@H](c1ccccc1)O2	ZINC000587415029	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@@H](c1ccccc1)O2	ZINC000587415031	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@@H](c1ccccc1)O2	ZINC000587415034	HJ	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1csc(C)n1	ZINC000587415141	HJ	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1csc(C)n1	ZINC000587415146	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CBr)(C(C)(C)c1ccccc1)[C@@H](C2)C3=O	ZINC000587415306	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](CBr)(C(C)(C)c1ccccc1)[C@@H](C2)C3=O	ZINC000587415308	HJ	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Br)ccc2SC[C@@H]1C	ZINC000587415341	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Br)ccc2SC[C@H]1C	ZINC000587415342	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Br)ccc2SC[C@@H]1C	ZINC000587415343	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Br)ccc2SC[C@H]1C	ZINC000587415344	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1nccc(-c3cccs3)n1)O2	ZINC000587415396	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1nccc(-c3cccs3)n1)O2	ZINC000587415397	HJ	Annotated	Anodyne	
CC[C@@H](Br)[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587415430	HJ	Annotated	Reactive	
CC[C@@H](Br)[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587415431	HJ	Annotated	Reactive	
CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587415432	HJ	Annotated	Reactive	
CC[C@H](Br)[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587415433	HJ	Annotated	Reactive	
COc1ccc(-c2nc3c(s2)[C@@]2(CCC3)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587415560	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3c(s2)[C@]2(CCC3)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587415561	HJ	Annotated	Anodyne	
COc1ccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587415634	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587415635	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](Cn1c(=O)sc3ccccc31)(c1ccccc1)O2	ZINC000587415744	HJ	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](Cn1c(=O)sc3ccccc31)(c1ccccc1)O2	ZINC000587415745	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@H](C)Br)[C@@H](C2)C3=O	ZINC000587415996	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@@H](C)Br)[C@@H](C2)C3=O	ZINC000587415997	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@H](C)Br)[C@@H](C2)C3=O	ZINC000587415998	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@@H](C)Br)[C@@H](C2)C3=O	ZINC000587415999	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@]1(CCc4c(Cl)cc(Br)cc41)[C@@H](C2)C3=O	ZINC000587416468	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCc4c(Cl)cc(Br)cc41)[C@@H](C2)C3=O	ZINC000587416469	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CC#N)(c1cc4cc(Br)ccc4o1)[C@@H](C2)C3=O	ZINC000587416472	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](CC#N)(c1cc4cc(Br)ccc4o1)[C@@H](C2)C3=O	ZINC000587416473	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(Br)c1)[C@@H](C2)C3=O	ZINC000587416513	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(Br)c1)[C@@H](C2)C3=O	ZINC000587416514	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc4ncc(Br)cc4c1)[C@@H](C2)C3=O	ZINC000587416518	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc4ncc(Br)cc4c1)[C@@H](C2)C3=O	ZINC000587416520	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccnc4cc(Br)ccc14)[C@@H](C2)C3=O	ZINC000587416535	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccnc4cc(Br)ccc14)[C@@H](C2)C3=O	ZINC000587416537	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1OCC(C)C)[C@@H](C2)C3=O	ZINC000587416554	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1OCC(C)C)[C@@H](C2)C3=O	ZINC000587416556	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4c(C(=O)Cl)cccc41)[C@@H](C2)C3=O	ZINC000587416604	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4c(C(=O)Cl)cccc41)[C@@H](C2)C3=O	ZINC000587416608	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](c1ccc(NC(=O)C(C)C)cc1)([C@H](C)Cl)[C@@H](C2)C3=O	ZINC000587416612	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](c1ccc(NC(=O)C(C)C)cc1)([C@H](C)Cl)[C@@H](C2)C3=O	ZINC000587416615	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](c1ccc(NC(=O)C(C)C)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O	ZINC000587416616	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](c1ccc(NC(=O)C(C)C)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O	ZINC000587416617	HJ	Annotated	Reactive	
COCCC[C@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587416619	HJ	Annotated	Anodyne	
COCCC[C@@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587416623	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCCc4c1[nH]c1ccc(Br)cc41)[C@@H](C2)C3=O	ZINC000587416632	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCc4c1[nH]c1ccc(Br)cc41)[C@@H](C2)C3=O	ZINC000587416634	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1OC(C)C)[C@@H](C2)C3=O	ZINC000587416640	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1OC(C)C)[C@@H](C2)C3=O	ZINC000587416642	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccccc4)c1C)[C@@H](C2)C3=O	ZINC000587416649	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccccc4)c1C)[C@@H](C2)C3=O	ZINC000587416651	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(Br)cc1)[C@@H](C2)C3=O	ZINC000587416655	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(Br)cc1)[C@@H](C2)C3=O	ZINC000587416657	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(Cc4ccco4)c1C)[C@@H](C2)C3=O	ZINC000587416659	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(Cc4ccco4)c1C)[C@@H](C2)C3=O	ZINC000587416665	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@]1(CCOc4c(Br)cc(Cl)cc41)[C@@H](C2)C3=O	ZINC000587416688	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCOc4c(Br)cc(Cl)cc41)[C@@H](C2)C3=O	ZINC000587416689	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCl)(c1ccc(NC(=O)C(C)(C)C)cc1)[C@@H](C2)C3=O	ZINC000587416764	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(NC(=O)C(C)(C)C)cc1)[C@@H](C2)C3=O	ZINC000587416765	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@]1(CC(C)(C)Oc4ccc(Br)cc41)[C@@H](C2)C3=O	ZINC000587416783	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Oc4ccc(Br)cc41)[C@@H](C2)C3=O	ZINC000587416784	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cccc(Br)c1)[C@@H](C2)C3=O	ZINC000587416887	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccn1-c1cccc(Br)c1)[C@@H](C2)C3=O	ZINC000587416889	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCc4c(Br)cc(Cl)cc41)[C@@H](C2)C3=O	ZINC000587417018	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCc4c(Br)cc(Cl)cc41)[C@@H](C2)C3=O	ZINC000587417019	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccc(Br)cc4)no1)[C@@H](C2)C3=O	ZINC000587417155	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(-c4ccc(Br)cc4)no1)[C@@H](C2)C3=O	ZINC000587417156	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C)nn(Cc4ccccc4Cl)c1C)[C@@H](C2)C3=O	ZINC000587417228	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C)nn(Cc4ccccc4Cl)c1C)[C@@H](C2)C3=O	ZINC000587417229	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCO4)(c1ccccc1Cl)[C@@H](C2)C3=O	ZINC000587417322	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCO4)(c1ccccc1Cl)[C@@H](C2)C3=O	ZINC000587417325	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1N1CCCC1)[C@@H](C2)C3=O	ZINC000587417422	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1N1CCCC1)[C@@H](C2)C3=O	ZINC000587417423	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCCl)(c1ccc(Br)cc1)[C@@H](C2)C3=O	ZINC000587417461	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CCCl)(c1ccc(Br)cc1)[C@@H](C2)C3=O	ZINC000587417462	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](CCC1OCCCO1)(c1cccc(Cl)c1)[C@@H](C2)C3=O	ZINC000587417606	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CCC1OCCCO1)(c1cccc(Cl)c1)[C@@H](C2)C3=O	ZINC000587417607	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(C#N)cc1)(c1cccc(Cl)c1)[C@@H](C2)C3=O	ZINC000587417626	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](c1ccc(C#N)cc1)(c1cccc(Cl)c1)[C@@H](C2)C3=O	ZINC000587417627	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@H](O)c1ccccc1)[C@@H](C2)C3=O	ZINC000587417678	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@@H](O)c1ccccc1)[C@@H](C2)C3=O	ZINC000587417679	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1C(=O)Cl)[C@@H](C2)C3=O	ZINC000587417724	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1C(=O)Cl)[C@@H](C2)C3=O	ZINC000587417725	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)([C@H](C)Cl)[C@@H](C2)C3=O	ZINC000587417797	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O	ZINC000587417798	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)([C@H](C)Cl)[C@@H](C2)C3=O	ZINC000587417799	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O	ZINC000587417800	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@@H](O)c1ccccc1)[C@@H](C2)C3=O	ZINC000587417839	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@H](O)c1ccccc1)[C@@H](C2)C3=O	ZINC000587417842	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCl)(c1ccc(NC(=O)CC(C)C)cc1)[C@@H](C2)C3=O	ZINC000587417891	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(NC(=O)CC(C)C)cc1)[C@@H](C2)C3=O	ZINC000587417894	HJ	Annotated	Reactive	
CCCOc1ccc(Br)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587417923	HJ	Annotated	Anodyne	
CCCOc1ccc(Br)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587417926	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OCc1cccnc1)[C@@H](C2)C3=O	ZINC000587417939	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OCc1cccnc1)[C@@H](C2)C3=O	ZINC000587417940	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C2)C3=O	ZINC000587417960	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C2)C3=O	ZINC000587417963	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O	ZINC000587418009	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O	ZINC000587418010	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccnc(Cl)c1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587418172	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccnc(Cl)c1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587418173	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)ccc1Br)[C@@H](C2)C3=O	ZINC000587418198	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)ccc1Br)[C@@H](C2)C3=O	ZINC000587418204	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C)nn(Cc4ccc(Cl)cc4)c1C)[C@@H](C2)C3=O	ZINC000587418317	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C)nn(Cc4ccc(Cl)cc4)c1C)[C@@H](C2)C3=O	ZINC000587418318	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C)nn(C)c1Oc1cccc(Cl)c1)[C@@H](C2)C3=O	ZINC000587418391	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C)nn(C)c1Oc1cccc(Cl)c1)[C@@H](C2)C3=O	ZINC000587418394	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCOc4c(Cl)cc(Br)cc41)[C@@H](C2)C3=O	ZINC000587418417	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCOc4c(Cl)cc(Br)cc41)[C@@H](C2)C3=O	ZINC000587418419	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccc(C)cc4C)c1Cl)[C@@H](C2)C3=O	ZINC000587418424	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccc(C)cc4C)c1Cl)[C@@H](C2)C3=O	ZINC000587418428	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc(Cl)n1-c1ccccc1)[C@@H](C2)C3=O	ZINC000587418437	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(Cl)nc(Cl)n1-c1ccccc1)[C@@H](C2)C3=O	ZINC000587418441	HJ	Annotated	Anodyne	
C=CCOc1ccc(Br)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587418445	HJ	Annotated	Mild	
C=CCOc1ccc(Br)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587418446	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O	ZINC000587418506	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O	ZINC000587418511	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O	ZINC000587418513	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O	ZINC000587418515	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cn(CCC#N)nc1-c1cccc(Cl)c1)[C@@H](C2)C3=O	ZINC000587418516	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@H](c1cn(CCC#N)nc1-c1cccc(Cl)c1)[C@@H](C2)C3=O	ZINC000587418518	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](c1cc(Cl)ccc1Cl)([C@H]1CCOC1)[C@@H](C2)C3=O	ZINC000587418800	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1cc(Cl)ccc1Cl)([C@@H]1CCOC1)[C@@H](C2)C3=O	ZINC000587418816	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1cc(Cl)ccc1Cl)([C@@H]1CCOC1)[C@@H](C2)C3=O	ZINC000587418818	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1cc(Cl)ccc1Cl)([C@H]1CCOC1)[C@@H](C2)C3=O	ZINC000587418820	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(C(F)(F)F)c1)[C@@H](C2)C3=O	ZINC000587418827	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(C(F)(F)F)c1)[C@@H](C2)C3=O	ZINC000587418828	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2cc(Cl)ccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587418850	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2cc(Cl)ccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587418861	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1cc(Br)ccc1O)(C(C)(C)C)[C@@H](C2)C3=O	ZINC000587419066	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1cc(Br)ccc1O)(C(C)(C)C)[C@@H](C2)C3=O	ZINC000587419069	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1ccccn1)[C@@H](C2)C3=O	ZINC000587419239	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1ccccn1)[C@@H](C2)C3=O	ZINC000587419245	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(c4cc(Cl)ccc4-c4cccc(C(=O)O)c41)[C@@H](C2)C3=O	ZINC000587419247	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(c4cc(Cl)ccc4-c4cccc(C(=O)O)c41)[C@@H](C2)C3=O	ZINC000587419250	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cccc(Cl)c41)[C@@H](C2)C3=O	ZINC000587419269	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cccc(Cl)c41)[C@@H](C2)C3=O	ZINC000587419274	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(Br)c(C(F)(F)F)c1)[C@@H](C2)C3=O	ZINC000587419328	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c(C(F)(F)F)c1)[C@@H](C2)C3=O	ZINC000587419330	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccc(Br)c1OC(F)F)[C@@H](C2)C3=O	ZINC000587419496	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccc(Br)c1OC(F)F)[C@@H](C2)C3=O	ZINC000587419501	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ncc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587419518	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(Cl)ncc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587419519	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CSC#N)(c1ccccc1C(F)(F)F)[C@@H](C2)C3=O	ZINC000587419683	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CSC#N)(c1ccccc1C(F)(F)F)[C@@H](C2)C3=O	ZINC000587419687	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@]1(C(Br)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O	ZINC000587419697	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C(Br)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O	ZINC000587419698	HJ	Annotated	Anodyne	
CCCC(=O)Nc1ccc([C@@]2([C@@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587419749	HJ	Annotated	Reactive	
CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587419750	HJ	Annotated	Reactive	
CCCC(=O)Nc1ccc([C@@]2([C@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587419751	HJ	Annotated	Reactive	
CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587419752	HJ	Annotated	Reactive	
C=CCOc1cc(Br)ccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587419856	HJ	Annotated	Mild	
C=CCOc1cc(Br)ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587419858	HJ	Annotated	Mild	
CC[C@]1(CCc2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587419883	HJ	Annotated	Anodyne	
CC[C@@]1(CCc2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587419885	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587419970	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587419972	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1C(F)(F)F)[C@@H](C2)C3=O	ZINC000587420093	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1C(F)(F)F)[C@@H](C2)C3=O	ZINC000587420095	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccnc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587420112	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(Cl)ccnc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587420116	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(Cl)cccc41)[C@@H](C2)C3=O	ZINC000587420247	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(Cl)cccc41)[C@@H](C2)C3=O	ZINC000587420252	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCCC(=O)O)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O	ZINC000587420263	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CCCC(=O)O)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O	ZINC000587420265	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1coc4c(Cl)cc(Cl)cc4c1=O)[C@@H](C2)C3=O	ZINC000587420276	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1coc4c(Cl)cc(Cl)cc4c1=O)[C@@H](C2)C3=O	ZINC000587420283	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	ZINC000587420290	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	ZINC000587420292	HJ	Annotated	Bother	
CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(F)(F)F	ZINC000587420327	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(F)(F)F	ZINC000587420329	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cc(Cl)ccc1Cl)[C@@H](C2)C3=O	ZINC000587420333	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](Cc1cccc(C#N)c1)(c1ccc(Cl)nc1)[C@@H](C2)C3=O	ZINC000587420336	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@](Cc1cccc(C#N)c1)(c1ccc(Cl)nc1)[C@@H](C2)C3=O	ZINC000587420338	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cc(Cl)ccc1Cl)[C@@H](C2)C3=O	ZINC000587420350	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O	ZINC000587420505	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O	ZINC000587420507	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1ccco1)[C@@H](C2)C3=O	ZINC000587420622	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1ccco1)[C@@H](C2)C3=O	ZINC000587420625	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1ccc(Cl)c(N)c1)[C@@H](C2)C3=O	ZINC000587420872	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1ccc(Cl)c(N)c1)[C@@H](C2)C3=O	ZINC000587420877	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(C#N)cc1OCCC(F)(F)F)[C@@H](C2)C3=O	ZINC000587420913	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(C#N)cc1OCCC(F)(F)F)[C@@H](C2)C3=O	ZINC000587420918	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O	ZINC000587420940	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O	ZINC000587420947	HJ	Annotated	Bother	
COC(=O)c1cc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)ccc1Cl	ZINC000587421007	HJ	Annotated	Anodyne	
COC(=O)c1cc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)ccc1Cl	ZINC000587421008	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(Br)cn1)[C@@H](C2)C3=O	ZINC000587421036	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(Br)cn1)[C@@H](C2)C3=O	ZINC000587421037	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1cccnc1)[C@@H](C2)C3=O	ZINC000587421040	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1cccnc1)[C@@H](C2)C3=O	ZINC000587421041	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)cc1C(F)(F)F)[C@@H](C2)C3=O	ZINC000587421098	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)cc1C(F)(F)F)[C@@H](C2)C3=O	ZINC000587421100	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)cc(Cl)nc1Cl)[C@@H](C2)C3=O	ZINC000587421126	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)cc(Cl)nc1Cl)[C@@H](C2)C3=O	ZINC000587421134	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C)nn(C)c1Oc1ccc(Cl)cc1)[C@@H](C2)C3=O	ZINC000587421149	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C)nn(C)c1Oc1ccc(Cl)cc1)[C@@H](C2)C3=O	ZINC000587421152	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(Cl)ccc41)[C@@H](C2)C3=O	ZINC000587421156	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(Cl)ccc41)[C@@H](C2)C3=O	ZINC000587421160	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cc(Cl)cc(Cl)c1)[C@@H](C2)C3=O	ZINC000587421181	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cc(Cl)cc(Cl)c1)[C@@H](C2)C3=O	ZINC000587421191	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cc(Cl)cc(Cl)c1)[C@@H](C2)C3=O	ZINC000587421194	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1cc(Cl)cc(Cl)c1)[C@@H](C2)C3=O	ZINC000587421196	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(NC(=O)OC(C)(C)C)ccnc1Cl)[C@@H](C2)C3=O	ZINC000587421204	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(NC(=O)OC(C)(C)C)ccnc1Cl)[C@@H](C2)C3=O	ZINC000587421207	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587421274	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587421275	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CCCCl)(c1c[nH]c4ccc(C#N)cc14)[C@@H](C2)C3=O	ZINC000587421410	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](CCCCl)(c1c[nH]c4ccc(C#N)cc14)[C@@H](C2)C3=O	ZINC000587421416	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(CCl)ccc41)[C@@H](C2)C3=O	ZINC000587421462	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(CCl)ccc41)[C@@H](C2)C3=O	ZINC000587421466	HJ	Annotated	Reactive	
CCOC(=O)[C@H](CC)[C@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587421580	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](CC)[C@@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587421581	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](CC)[C@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587421582	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](CC)[C@@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587421584	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CBr)(c1ccc(F)c(Cl)c1)[C@@H](C2)C3=O	ZINC000587421754	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)c(Br)c1)[C@@H](C2)C3=O	ZINC000587421757	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)c(Br)c1)[C@@H](C2)C3=O	ZINC000587421758	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(F)c(Cl)c1)[C@@H](C2)C3=O	ZINC000587421764	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4cccc(Cl)c4)c1Cl)[C@@H](C2)C3=O	ZINC000587421769	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4cccc(Cl)c4)c1Cl)[C@@H](C2)C3=O	ZINC000587421774	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O	ZINC000587421805	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O	ZINC000587421810	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O	ZINC000587421942	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O	ZINC000587421944	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4)c(Cl)n1)[C@@H](C2)C3=O	ZINC000587421956	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4)c(Cl)n1)[C@@H](C2)C3=O	ZINC000587421957	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1c(C(F)(F)F)cc(C(F)(F)F)n1C)[C@@H](C2)C3=O	ZINC000587422008	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1c(C(F)(F)F)cc(C(F)(F)F)n1C)[C@@H](C2)C3=O	ZINC000587422018	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1CCC(F)(F)F)[C@@H](C2)C3=O	ZINC000587422176	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1CCC(F)(F)F)[C@@H](C2)C3=O	ZINC000587422179	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H](C2)C3=O	ZINC000587422253	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H](C2)C3=O	ZINC000587422261	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4cc(C)ccc4C)c1Cl)[C@@H](C2)C3=O	ZINC000587422338	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4cc(C)ccc4C)c1Cl)[C@@H](C2)C3=O	ZINC000587422340	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)OC1(CCN(c4ccccc4C(F)(F)F)CC1)[C@@H](C2)C3=O	ZINC000587422341	HJ	Annotated	Anodyne	
COC(=O)c1cc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)ccc1F	ZINC000587422350	HJ	Annotated	Anodyne	
COC(=O)c1cc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)ccc1F	ZINC000587422353	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O	ZINC000587422484	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1cccn1-c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O	ZINC000587422487	HJ	Annotated	Bother	
C=CCOc1cc(Cl)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC	ZINC000587422504	HJ	Annotated	Mild	
C=CCOc1cc(Cl)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC	ZINC000587422507	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Cl)cc4)nc4ncccn14)[C@@H](C2)C3=O	ZINC000587422526	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Cl)cc4)nc4ncccn14)[C@@H](C2)C3=O	ZINC000587422533	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(Cl)cc41)[C@@H](C2)C3=O	ZINC000587422556	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(Cl)cc41)[C@@H](C2)C3=O	ZINC000587422559	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC(F)F)cc1OC(F)F)[C@@H](C2)C3=O	ZINC000587422595	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(OC(F)F)cc1OC(F)F)[C@@H](C2)C3=O	ZINC000587422598	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1nc(Cl)ccc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587422603	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1nc(Cl)ccc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587422604	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cc(C(F)(F)F)nn4C)s1)[C@@H](C2)C3=O	ZINC000587422657	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4cc(C(F)(F)F)nn4C)s1)[C@@H](C2)C3=O	ZINC000587422661	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(Cl)c(C(=O)O)c4)o1)[C@@H](C2)C3=O	ZINC000587422669	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(Cl)c(C(=O)O)c4)o1)[C@@H](C2)C3=O	ZINC000587422673	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(CCl)cc41)[C@@H](C2)C3=O	ZINC000587422711	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(CCl)cc41)[C@@H](C2)C3=O	ZINC000587422715	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](CCC1OCCCO1)(c1ccccc1Cl)[C@@H](C2)C3=O	ZINC000587422787	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CCC1OCCCO1)(c1ccccc1Cl)[C@@H](C2)C3=O	ZINC000587422788	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)cc1Br)[C@@H](C2)C3=O	ZINC000587422911	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)cc1Br)[C@@H](C2)C3=O	ZINC000587422912	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(CC(F)(F)F)c1C)[C@@H](C2)C3=O	ZINC000587422925	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(CC(F)(F)F)c1C)[C@@H](C2)C3=O	ZINC000587422936	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(=O)C(C)(C)CCl)cc1)[C@@H](C2)C3=O	ZINC000587423245	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(=O)C(C)(C)CCl)cc1)[C@@H](C2)C3=O	ZINC000587423246	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](c1cc(Br)ccc1F)(C1CC1)[C@@H](C2)C3=O	ZINC000587423474	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1cc(Br)ccc1F)(C1CC1)[C@@H](C2)C3=O	ZINC000587423475	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(c4ccc(Cl)cc4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O	ZINC000587423548	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(c4ccc(Cl)cc4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O	ZINC000587423549	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C)nn(Cc4ccc(C)cc4)c1Cl)[C@@H](C2)C3=O	ZINC000587423588	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C)nn(Cc4ccc(C)cc4)c1Cl)[C@@H](C2)C3=O	ZINC000587423589	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cn(CCC#N)nc1-c1ccc(Cl)cc1)[C@@H](C2)C3=O	ZINC000587423595	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@H](c1cn(CCC#N)nc1-c1ccc(Cl)cc1)[C@@H](C2)C3=O	ZINC000587423597	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@@H](c1coc4c(CCl)cc(Cl)cc4c1=O)[C@@H](C2)C3=O	ZINC000587423643	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@H](c1coc4c(CCl)cc(Cl)cc4c1=O)[C@@H](C2)C3=O	ZINC000587423658	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@H](c1c(-c4ccccc4)nn4ccnc(Cl)c14)[C@@H](C2)C3=O	ZINC000587423684	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(-c4ccccc4)nn4ccnc(Cl)c14)[C@@H](C2)C3=O	ZINC000587423688	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccncc1)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O	ZINC000587423744	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccncc1)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O	ZINC000587423747	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)C(C)(C)CCl)c1)[C@@H](C2)C3=O	ZINC000587423780	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)C(C)(C)CCl)c1)[C@@H](C2)C3=O	ZINC000587423782	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](C)(c1ccccc1-c1ccc(F)c(C(=O)O)c1)[C@@H](C2)C3=O	ZINC000587424039	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccccc1-c1ccc(F)c(C(=O)O)c1)[C@@H](C2)C3=O	ZINC000587424046	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1OC(F)F)[C@@H](C2)C3=O	ZINC000587424066	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1OC(F)F)[C@@H](C2)C3=O	ZINC000587424069	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)F)c(Br)c1)[C@@H](C2)C3=O	ZINC000587424112	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)F)c(Br)c1)[C@@H](C2)C3=O	ZINC000587424114	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(c4cc(Cl)ccc4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O	ZINC000587424121	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(c4cc(Cl)ccc4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O	ZINC000587424124	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O	ZINC000587424212	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O	ZINC000587424213	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O	ZINC000587424215	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O	ZINC000587424217	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1cccnc1)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O	ZINC000587424223	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O	ZINC000587424225	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(c4ccc(Cl)cc4CCc4cccnc41)[C@@H](C2)C3=O	ZINC000587424234	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(c4ccc(Cl)cc4CCc4cccnc41)[C@@H](C2)C3=O	ZINC000587424255	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(Cl)nc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587424307	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)nc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587424308	HJ	Annotated	Anodyne	
C=CCOc1c(Cl)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC	ZINC000587424325	HJ	Annotated	Mild	
C=CCOc1c(Cl)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC	ZINC000587424327	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O	ZINC000587424340	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O	ZINC000587424344	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H]([C@@H]1CCCN(c4ccc(C(F)(F)F)cc4)C1)[C@@H](C2)C3=O	ZINC000587424557	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H]([C@@H]1CCCN(c4ccc(C(F)(F)F)cc4)C1)[C@@H](C2)C3=O	ZINC000587424559	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H]([C@H]1CCCN(c4ccc(C(F)(F)F)cc4)C1)[C@@H](C2)C3=O	ZINC000587424561	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H]([C@H]1CCCN(c4ccc(C(F)(F)F)cc4)C1)[C@@H](C2)C3=O	ZINC000587424564	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1c(F)ccc(Br)c1Cl)[C@@H](C2)C3=O	ZINC000587424581	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1c(F)ccc(Br)c1Cl)[C@@H](C2)C3=O	ZINC000587424582	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CBr)(c1c(F)cccc1Cl)[C@@H](C2)C3=O	ZINC000587424583	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](CBr)(c1c(F)cccc1Cl)[C@@H](C2)C3=O	ZINC000587424584	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4cc(C(=O)O)ccc4F)c1)[C@@H](C2)C3=O	ZINC000587424621	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4cc(C(=O)O)ccc4F)c1)[C@@H](C2)C3=O	ZINC000587424622	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4ccc(F)c(C(=O)O)c4)c1)[C@@H](C2)C3=O	ZINC000587424669	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4ccc(F)c(C(=O)O)c4)c1)[C@@H](C2)C3=O	ZINC000587424670	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cc(Br)c(Cl)cc1F)[C@@H](C2)C3=O	ZINC000587424870	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)c(Cl)cc1F)[C@@H](C2)C3=O	ZINC000587424871	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4cc(C(=O)O)ccc4F)cc1)[C@@H](C2)C3=O	ZINC000587424913	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4cc(C(=O)O)ccc4F)cc1)[C@@H](C2)C3=O	ZINC000587424914	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4F)c(OC)c1)[C@@H](C2)C3=O	ZINC000587425243	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4F)c(OC)c1)[C@@H](C2)C3=O	ZINC000587425250	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(F)c(F)c1)(C(C)(C)Br)[C@@H](C2)C3=O	ZINC000587425300	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(F)c(F)c1)(C(C)(C)Br)[C@@H](C2)C3=O	ZINC000587425303	HJ	Annotated	Anodyne	
COC(=O)c1ccc(F)cc1-c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587425319	HJ	Annotated	Anodyne	
COC(=O)c1ccc(F)cc1-c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587425320	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4ccc(C(=O)O)cc4F)c1)[C@@H](C2)C3=O	ZINC000587425391	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4ccc(C(=O)O)cc4F)c1)[C@@H](C2)C3=O	ZINC000587425394	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(CC#N)s1)(c1ccccc1F)[C@@H](C2)C3=O	ZINC000587425437	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](c1ccc(CC#N)s1)(c1ccccc1F)[C@@H](C2)C3=O	ZINC000587425439	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cc(F)ccc4C(=O)O)cc1)[C@@H](C2)C3=O	ZINC000587425497	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4cc(F)ccc4C(=O)O)cc1)[C@@H](C2)C3=O	ZINC000587425498	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccccc1-c1ccc(C(=O)O)c(F)c1)[C@@H](C2)C3=O	ZINC000587425512	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccccc1-c1ccc(C(=O)O)c(F)c1)[C@@H](C2)C3=O	ZINC000587425514	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCc1ccccc1F)[C@@H](C2)C3=O	ZINC000587425641	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCc1ccccc1F)[C@@H](C2)C3=O	ZINC000587425645	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CC#N)(c1cc(C)n(-c4ccccc4F)c1C)[C@@H](C2)C3=O	ZINC000587425797	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@](CC#N)(c1cc(C)n(-c4ccccc4F)c1C)[C@@H](C2)C3=O	ZINC000587425798	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](C1CC1)([C@H](Br)c1ccccc1F)[C@@H](C2)C3=O	ZINC000587425811	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](C1CC1)([C@@H](Br)c1ccccc1F)[C@@H](C2)C3=O	ZINC000587425812	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](C1CC1)([C@@H](Br)c1ccccc1F)[C@@H](C2)C3=O	ZINC000587425909	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](C1CC1)([C@H](Br)c1ccccc1F)[C@@H](C2)C3=O	ZINC000587425912	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(=O)O)c(F)c4)cc1)[C@@H](C2)C3=O	ZINC000587425991	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C(=O)O)c(F)c4)cc1)[C@@H](C2)C3=O	ZINC000587425992	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CBr)(c1ccc(F)cc1Cl)[C@@H](C2)C3=O	ZINC000587426097	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(F)cc1Cl)[C@@H](C2)C3=O	ZINC000587426098	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@H](c1ccccc1-c1ccc(C(=O)O)c(F)c1)[C@@H](C2)C3=O	ZINC000587426123	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1ccc(C(=O)O)c(F)c1)[C@@H](C2)C3=O	ZINC000587426124	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4cccc(F)c4)c1)[C@@H](C2)C3=O	ZINC000587426191	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4cccc(F)c4)c1)[C@@H](C2)C3=O	ZINC000587426192	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(F)cc4)nc4ccc(C)cn14)[C@@H](C2)C3=O	ZINC000587426244	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(F)cc4)nc4ccc(C)cn14)[C@@H](C2)C3=O	ZINC000587426246	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C)nn(Cc4ccc(F)cc4)c1Cl)[C@@H](C2)C3=O	ZINC000587426287	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C)nn(Cc4ccc(F)cc4)c1Cl)[C@@H](C2)C3=O	ZINC000587426291	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccc(C(=O)O)cc4F)cc1)[C@@H](C2)C3=O	ZINC000587426402	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccc(C(=O)O)cc4F)cc1)[C@@H](C2)C3=O	ZINC000587426403	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1N)(c1ccccc1F)[C@@H](C2)C3=O	ZINC000587426422	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1N)(c1ccccc1F)[C@@H](C2)C3=O	ZINC000587426423	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1F)(C1CC1)[C@@H](C2)C3=O	ZINC000587426424	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1F)(C1CC1)[C@@H](C2)C3=O	ZINC000587426425	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F	ZINC000587426443	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F	ZINC000587426444	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4ccc(C(=O)O)c(F)c4)c1)[C@@H](C2)C3=O	ZINC000587426463	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4ccc(C(=O)O)c(F)c4)c1)[C@@H](C2)C3=O	ZINC000587426464	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4ccccc4F)c1)[C@@H](C2)C3=O	ZINC000587426467	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4ccccc4F)c1)[C@@H](C2)C3=O	ZINC000587426468	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](Cc1ccccn1)(c1ccc(Cl)cc1F)[C@@H](C2)C3=O	ZINC000587426469	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](Cc1ccccn1)(c1ccc(Cl)cc1F)[C@@H](C2)C3=O	ZINC000587426470	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(F)cc4)nc4cc(C)ccn14)[C@@H](C2)C3=O	ZINC000587426492	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(F)cc4)nc4cc(C)ccn14)[C@@H](C2)C3=O	ZINC000587426493	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CBr)(c1cc(F)ccc1Cl)[C@@H](C2)C3=O	ZINC000587426633	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CBr)(c1cc(F)ccc1Cl)[C@@H](C2)C3=O	ZINC000587426636	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CC(=O)Nc1ccc(F)cc1F)(C(C)(C)C)[C@@H](C2)C3=O	ZINC000587426752	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CC(=O)Nc1ccc(F)cc1F)(C(C)(C)C)[C@@H](C2)C3=O	ZINC000587426757	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCc4nc(-c5ccccc5F)sc41)[C@@H](C2)C3=O	ZINC000587426760	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCCc4nc(-c5ccccc5F)sc41)[C@@H](C2)C3=O	ZINC000587426762	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCc4cc(NC(=O)OC(C)(C)C)ccc41)[C@@H](C2)C3=O	ZINC000587426898	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCc4cc(NC(=O)OC(C)(C)C)ccc41)[C@@H](C2)C3=O	ZINC000587426899	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1cc(F)ccc1O)[C@@H](C2)C3=O	ZINC000587426962	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1cc(F)ccc1O)[C@@H](C2)C3=O	ZINC000587426963	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4cc(F)cc(C(=O)O)c4)c1)[C@@H](C2)C3=O	ZINC000587427039	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4cc(F)cc(C(=O)O)c4)c1)[C@@H](C2)C3=O	ZINC000587427040	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1cc(Cl)ccc1N)[C@@H](C2)C3=O	ZINC000587427065	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1cc(Cl)ccc1N)[C@@H](C2)C3=O	ZINC000587427066	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCc1ccc(F)cc1)[C@@H](C2)C3=O	ZINC000587427096	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCc1ccc(F)cc1)[C@@H](C2)C3=O	ZINC000587427098	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C(=O)N(C)C)cc4)cc1)[C@@H](C2)C3=O	ZINC000587427184	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(=O)N(C)C)cc4)cc1)[C@@H](C2)C3=O	ZINC000587427185	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1F	ZINC000587427235	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1F	ZINC000587427236	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1cc(Cl)ccc1N)(c1ccccc1F)[C@@H](C2)C3=O	ZINC000587427255	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1cc(Cl)ccc1N)(c1ccccc1F)[C@@H](C2)C3=O	ZINC000587427258	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](C)N(C)Cc1ccccc1)[C@@H](C2)C3=O	ZINC000587427281	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](C)N(C)Cc1ccccc1)[C@@H](C2)C3=O	ZINC000587427285	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](C)N(C)Cc1ccccc1)[C@@H](C2)C3=O	ZINC000587427287	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](C)N(C)Cc1ccccc1)[C@@H](C2)C3=O	ZINC000587427289	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c(F)c1	ZINC000587427323	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c(F)c1	ZINC000587427325	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(=O)O)cc4F)cc1)[C@@H](C2)C3=O	ZINC000587427357	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C(=O)O)cc4F)cc1)[C@@H](C2)C3=O	ZINC000587427359	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1c(Br)ccc(Cl)c1F)[C@@H](C2)C3=O	ZINC000587427360	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1c(Br)ccc(Cl)c1F)[C@@H](C2)C3=O	ZINC000587427361	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CCCNC(=O)OC(C)(C)C)(c1ccccc1)[C@@H](C2)C3=O	ZINC000587427376	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCCNC(=O)OC(C)(C)C)(c1ccccc1)[C@@H](C2)C3=O	ZINC000587427377	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccccc1NC(=O)OCc1ccccc1)[C@@H](C2)C3=O	ZINC000587427409	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccccc1NC(=O)OCc1ccccc1)[C@@H](C2)C3=O	ZINC000587427410	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(F)cc4)nc4c(C)cccn14)[C@@H](C2)C3=O	ZINC000587427456	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(F)cc4)nc4c(C)cccn14)[C@@H](C2)C3=O	ZINC000587427460	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CCOc1ccccc1)(c1ccc(F)cc1)[C@@H](C2)C3=O	ZINC000587427463	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCOc1ccccc1)(c1ccc(F)cc1)[C@@H](C2)C3=O	ZINC000587427465	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)OC(Cc1ccccc1F)(Cc1ccccc1F)[C@@H](C2)C3=O	ZINC000587427745	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccccc4F)c1)[C@@H](C2)C3=O	ZINC000587427748	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccccc4F)c1)[C@@H](C2)C3=O	ZINC000587427749	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O	ZINC000587427995	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O	ZINC000587427997	HJ	Annotated	Anodyne	
COc1ccc([C@]2(Cc3ccc(F)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587428031	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(Cc3ccc(F)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587428034	HJ	Annotated	Anodyne	
COCOc1cccc([C@]2(c3ccc(F)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587428046	HJ	Annotated	Anodyne	
COCOc1cccc([C@@]2(c3ccc(F)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587428048	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccccc1-c1cc(F)cc(C(=O)O)c1)[C@@H](C2)C3=O	ZINC000587428054	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccccc1-c1cc(F)cc(C(=O)O)c1)[C@@H](C2)C3=O	ZINC000587428056	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(-c4ccccc4F)nc4sccn14)[C@@H](C2)C3=O	ZINC000587428173	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(-c4ccccc4F)nc4sccn14)[C@@H](C2)C3=O	ZINC000587428175	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(F)cc4)nc4ccccn14)[C@@H](C2)C3=O	ZINC000587428389	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(F)cc4)nc4ccccn14)[C@@H](C2)C3=O	ZINC000587428391	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1c(Cl)ccc(Br)c1F)[C@@H](C2)C3=O	ZINC000587428463	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1c(Cl)ccc(Br)c1F)[C@@H](C2)C3=O	ZINC000587428465	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(F)cc4)c(OC)c1)[C@@H](C2)C3=O	ZINC000587428466	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(F)cc4)c(OC)c1)[C@@H](C2)C3=O	ZINC000587428469	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4ccc(F)cc4)c1)[C@@H](C2)C3=O	ZINC000587428471	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4ccc(F)cc4)c1)[C@@H](C2)C3=O	ZINC000587428474	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCCc4nc(-c5ccc(F)cc5)sc41)[C@@H](C2)C3=O	ZINC000587428527	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCc4nc(-c5ccc(F)cc5)sc41)[C@@H](C2)C3=O	ZINC000587428528	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CN(C(C)C)C(C)C)c1)[C@@H](C2)C3=O	ZINC000587428564	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(CN(C(C)C)C(C)C)c1)[C@@H](C2)C3=O	ZINC000587428565	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CCCBr)(c1ccc(F)cc1)[C@@H](C2)C3=O	ZINC000587428683	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](CCCBr)(c1ccc(F)cc1)[C@@H](C2)C3=O	ZINC000587428685	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@H]([C@H](C)N(Cc1ccccc1)Cc1ccccc1)[C@@H](C2)C3=O	ZINC000587428842	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H]([C@H](C)N(Cc1ccccc1)Cc1ccccc1)[C@@H](C2)C3=O	ZINC000587428843	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](COCc1ccccc1)(c1ccc(F)cc1)[C@@H](C2)C3=O	ZINC000587429002	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](COCc1ccccc1)(c1ccc(F)cc1)[C@@H](C2)C3=O	ZINC000587429005	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cccc(F)c4)c(OC)c1)[C@@H](C2)C3=O	ZINC000587429130	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cccc(F)c4)c(OC)c1)[C@@H](C2)C3=O	ZINC000587429131	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(-n4c(C)cc(C=O)c4C)c1)[C@@H](C2)C3=O	ZINC000587429274	HJ	Annotated	Clean	
COc1cc2c3c(c1)O[C@](C)(c1cccc(-n4c(C)cc(C=O)c4C)c1)[C@@H](C2)C3=O	ZINC000587429276	HJ	Annotated	Clean	
COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4cccc(O)c14)[C@@H](C2)C3=O	ZINC000587429285	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4cccc(O)c14)[C@@H](C2)C3=O	ZINC000587429286	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCc1cccc(F)c1)[C@@H](C2)C3=O	ZINC000587429456	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCc1cccc(F)c1)[C@@H](C2)C3=O	ZINC000587429457	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1coc4ccc(O)cc14)[C@@H](C2)C3=O	ZINC000587429511	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1coc4ccc(O)cc14)[C@@H](C2)C3=O	ZINC000587429512	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4)Oc4ccc(F)cc41)[C@@H](C2)C3=O	ZINC000587429829	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C=C(c4ccccc4)Oc4ccc(F)cc41)[C@@H](C2)C3=O	ZINC000587429841	HJ	Annotated	Anodyne	
COc1ccc([C@]2(Cc3cccc(F)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587429862	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(Cc3cccc(F)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587429865	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(F)cc4)nc4sccn14)[C@@H](C2)C3=O	ZINC000587429952	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(F)cc4)nc4sccn14)[C@@H](C2)C3=O	ZINC000587429954	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](Cn1ccnc1C(C)C)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O	ZINC000587430298	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](Cn1ccnc1C(C)C)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O	ZINC000587430299	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cccc(C(C)=O)c4)c1C)[C@@H](C2)C3=O	ZINC000587430333	HJ	Annotated	Clean	
COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cccc(C(C)=O)c4)c1C)[C@@H](C2)C3=O	ZINC000587430334	HJ	Annotated	Clean	
COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccc(C)o1)[C@@H](C2)C3=O	ZINC000587430453	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccc(C)o1)[C@@H](C2)C3=O	ZINC000587430454	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(C(=O)O)cc4C)c1C)[C@@H](C2)C3=O	ZINC000587430658	HJ	Annotated	Clean	
COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(C(=O)O)cc4C)c1C)[C@@H](C2)C3=O	ZINC000587430659	HJ	Annotated	Clean	
COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccc(C)cc4)nc1C(C)(C)C)[C@@H](C2)C3=O	ZINC000587430712	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cn(-c4ccc(C)cc4)nc1C(C)(C)C)[C@@H](C2)C3=O	ZINC000587430714	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(N(C)C)cc4)c1C)[C@@H](C2)C3=O	ZINC000587431112	HJ	Annotated	Clean	
COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(N(C)C)cc4)c1C)[C@@H](C2)C3=O	ZINC000587431113	HJ	Annotated	Clean	
COc1cc2c3c(c1)O[C@H](c1ccc4ccn(C(=O)OC(C)(C)C)c4c1)[C@@H](C2)C3=O	ZINC000587431407	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc4ccn(C(=O)OC(C)(C)C)c4c1)[C@@H](C2)C3=O	ZINC000587431409	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cc(C(=O)O)ccc4C)c1C)[C@@H](C2)C3=O	ZINC000587431679	HJ	Annotated	Clean	
COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cc(C(=O)O)ccc4C)c1C)[C@@H](C2)C3=O	ZINC000587431681	HJ	Annotated	Clean	
COc1cc2c3c(c1)O[C@@H](c1cccc(Oc4ccc([N+](=O)[O-])cc4)c1)[C@@H](C2)C3=O	ZINC000587431894	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1cccc(Oc4ccc([N+](=O)[O-])cc4)c1)[C@@H](C2)C3=O	ZINC000587431897	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1cccc4c1ccn4C(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587432052	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccc4c1ccn4C(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587432054	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(NC(C)=O)cc4)c1C)[C@@H](C2)C3=O	ZINC000587432061	HJ	Annotated	Clean	
COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(NC(C)=O)cc4)c1C)[C@@H](C2)C3=O	ZINC000587432062	HJ	Annotated	Clean	
COc1cccc(-c2nn(C(C)(C)C)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587432161	HJ	Annotated	Anodyne	
COc1cccc(-c2nn(C(C)(C)C)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587432162	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc4c(ccn4C(=O)OC(C)(C)C)c1)[C@@H](C2)C3=O	ZINC000587432174	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc4c(ccn4C(=O)OC(C)(C)C)c1)[C@@H](C2)C3=O	ZINC000587432175	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccccc1Oc1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587432250	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1ccccc1Oc1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587432252	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O	ZINC000587432258	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O	ZINC000587432261	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1cccc(OCc4ccc([N+](=O)[O-])cc4)c1)[C@@H](C2)C3=O	ZINC000587432399	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4ccc([N+](=O)[O-])cc4)c1)[C@@H](C2)C3=O	ZINC000587432400	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4ncc(C)cc14)[C@@H](C2)C3=O	ZINC000587432567	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4ncc(C)cc14)[C@@H](C2)C3=O	ZINC000587432568	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(OCC)c1-n1cccc1	ZINC000587432595	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(OCC)c1-n1cccc1	ZINC000587432596	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4ccccc14)[C@@H](C2)C3=O	ZINC000587432623	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4ccccc14)[C@@H](C2)C3=O	ZINC000587432624	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccc([N+](=O)[O-])c(C)c4)o1)[C@@H](C2)C3=O	ZINC000587432682	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccc([N+](=O)[O-])c(C)c4)o1)[C@@H](C2)C3=O	ZINC000587432683	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@](c1c[nH]c4ccc([N+](=O)[O-])cc14)(C1CCC1)[C@@H](C2)C3=O	ZINC000587432865	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@@](c1c[nH]c4ccc([N+](=O)[O-])cc14)(C1CCC1)[C@@H](C2)C3=O	ZINC000587432868	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1ccc(N(C)c4ccccc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	ZINC000587433050	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)c4ccccc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	ZINC000587433051	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccccc4)nc1C(C)(C)C)[C@@H](C2)C3=O	ZINC000587433439	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccccc4)nc1C(C)(C)C)[C@@H](C2)C3=O	ZINC000587433440	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4cccc([N+](=O)[O-])c4)cc1)[C@@H](C2)C3=O	ZINC000587434094	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1ccc(Oc4cccc([N+](=O)[O-])c4)cc1)[C@@H](C2)C3=O	ZINC000587434100	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc([N+](=O)[O-])cc4)cc1)[C@@H](C2)C3=O	ZINC000587434343	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc([N+](=O)[O-])cc4)cc1)[C@@H](C2)C3=O	ZINC000587434344	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)c(C)c4)nc4ncccn14)[C@@H](C2)C3=O	ZINC000587435115	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)c(C)c4)nc4ncccn14)[C@@H](C2)C3=O	ZINC000587435116	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C)c(C(=O)c4ccccc4)n4ccccc14)[C@@H](C2)C3=O	ZINC000587435427	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C)c(C(=O)c4ccccc4)n4ccccc14)[C@@H](C2)C3=O	ZINC000587435428	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(C)c(C=O)c4ccccn14)[C@@H](C2)C3=O	ZINC000587435491	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c(C)c(C=O)c4ccccn14)[C@@H](C2)C3=O	ZINC000587435492	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccccc1OCCN1C[C@@H](C)C[C@H](C)C1)[C@@H](C2)C3=O	ZINC000587435670	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccccc1OCCN1C[C@H](C)C[C@@H](C)C1)[C@@H](C2)C3=O	ZINC000587435672	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccccc1OCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H](C2)C3=O	ZINC000587435673	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccccc1OCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H](C2)C3=O	ZINC000587435675	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(-c4cc(C)ccc4C)nc4ncccn14)[C@@H](C2)C3=O	ZINC000587435710	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(-c4cc(C)ccc4C)nc4ncccn14)[C@@H](C2)C3=O	ZINC000587435711	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C)c(CCc4ccncc4)n4ccccc14)[C@@H](C2)C3=O	ZINC000587436001	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C)c(CCc4ccncc4)n4ccccc14)[C@@H](C2)C3=O	ZINC000587436002	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3ccccn3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587436041	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3ccccn3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587436042	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1nc4ccccc4cc1C(=O)c1ccco1)[C@@H](C2)C3=O	ZINC000587436147	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1nc4ccccc4cc1C(=O)c1ccco1)[C@@H](C2)C3=O	ZINC000587436148	HJ	Annotated	Anodyne	
CC[C@H]1C[C@@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587436402	HJ	Annotated	Anodyne	
CC[C@H]1C[C@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587436403	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)cc4C)nc4ncccn14)[C@@H](C2)C3=O	ZINC000587436451	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)cc4C)nc4ncccn14)[C@@H](C2)C3=O	ZINC000587436452	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cccnc1	ZINC000587436543	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cccnc1	ZINC000587436544	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1ccc4nc(O)oc4c1)[C@@H](C2)C3=O	ZINC000587436577	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1ccc4nc(O)oc4c1)[C@@H](C2)C3=O	ZINC000587436578	HJ	Annotated	Anodyne	
COc1cccc(-c2nc3ccccn3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587436976	HJ	Annotated	Anodyne	
COc1cccc(-c2nc3ccccn3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587436979	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(C)c(OCc4ccccn4)c(C)c1)[C@@H](C2)C3=O	ZINC000587437284	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(C)c(OCc4ccccn4)c(C)c1)[C@@H](C2)C3=O	ZINC000587437286	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(-c4ccccc4OC)nc4ccccn14)[C@@H](C2)C3=O	ZINC000587437291	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(-c4ccccc4OC)nc4ccccn14)[C@@H](C2)C3=O	ZINC000587437293	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4[nH]1)(c1ccc(C)cc1)[C@@H](C2)C3=O	ZINC000587437591	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](Cc1nc4ccccc4[nH]1)(c1ccc(C)cc1)[C@@H](C2)C3=O	ZINC000587437593	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1[nH]c4ccccc4c1N)[C@@H](C2)C3=O	ZINC000587438761	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1[nH]c4ccccc4c1N)[C@@H](C2)C3=O	ZINC000587438764	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCC(C)(C)c4c1[nH]c1ccc(C(=O)O)cc41)[C@@H](C2)C3=O	ZINC000587438781	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCC(C)(C)c4c1[nH]c1ccc(C(=O)O)cc41)[C@@H](C2)C3=O	ZINC000587438785	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CN(C(c4ccccc4)c4ccccc4)[C@@H]1C)[C@@H](C2)C3=O	ZINC000587439095	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CN(C(c4ccccc4)c4ccccc4)[C@H]1C)[C@@H](C2)C3=O	ZINC000587439098	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CN(C(c4ccccc4)c4ccccc4)[C@@H]1C)[C@@H](C2)C3=O	ZINC000587439101	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CN(C(c4ccccc4)c4ccccc4)[C@H]1C)[C@@H](C2)C3=O	ZINC000587439104	HJ	Annotated	Anodyne	
C=CCOc1c(CC=C)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC	ZINC000587439517	HJ	Annotated	Mild	
C=CCOc1c(CC=C)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC	ZINC000587439521	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](C)(C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587439624	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587439627	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587439631	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587439634	HJ	Annotated	Anodyne	
COC(=O)c1cccc(-c2ccccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587441049	HJ	Annotated	Anodyne	
COC(=O)c1cccc(-c2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587441052	HJ	Annotated	Anodyne	
COC(=O)c1cccc(-c2ccccc2[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587441216	HJ	Annotated	Anodyne	
COC(=O)c1cccc(-c2ccccc2[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587441248	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCc4c(OC(=O)c5ccccc5)cccc41)[C@@H](C2)C3=O	ZINC000587441286	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCc4c(OC(=O)c5ccccc5)cccc41)[C@@H](C2)C3=O	ZINC000587441297	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4ccccc4)c1)[C@@H](C2)C3=O	ZINC000587441301	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4ccccc4)c1)[C@@H](C2)C3=O	ZINC000587441303	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cccc(N4Cc5ccccc5C4=N)c1)[C@@H](C2)C3=O	ZINC000587441335	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(N4Cc5ccccc5C4=N)c1)[C@@H](C2)C3=O	ZINC000587441468	HJ	Annotated	Anodyne	
COc1cc(OC)cc(Oc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1	ZINC000587441586	HJ	Annotated	Anodyne	
COc1cc(OC)cc(Oc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1	ZINC000587441589	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4)cc1OC)[C@@H](C2)C3=O	ZINC000587441750	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4)cc1OC)[C@@H](C2)C3=O	ZINC000587441752	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccccc1OC(=O)c1ccccc1)[C@@H](C2)C3=O	ZINC000587441861	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccccc1OC(=O)c1ccccc1)[C@@H](C2)C3=O	ZINC000587441862	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)OC(C)(C)C)c(OC)c1)[C@@H](C2)C3=O	ZINC000587441867	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OC(=O)OC(C)(C)C)c(OC)c1)[C@@H](C2)C3=O	ZINC000587442015	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587442054	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587442057	HJ	Annotated	Anodyne	
COC(=O)c1cccc(-c2cccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)c1	ZINC000587442079	HJ	Annotated	Anodyne	
COC(=O)c1cccc(-c2cccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)c1	ZINC000587442083	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(OC)c(OC)c4)cc1)[C@@H](C2)C3=O	ZINC000587442092	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(OC)c(OC)c4)cc1)[C@@H](C2)C3=O	ZINC000587442095	HJ	Annotated	Anodyne	
COc1ccc(C[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587442589	HJ	Annotated	Anodyne	
COc1ccc(C[C@@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587442593	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccc(OC(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O	ZINC000587442647	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccc(OC(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O	ZINC000587442650	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587442690	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587442692	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(Oc4ccc(C(=O)O)cc4)cc1)[C@@H](C2)C3=O	ZINC000587442695	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(Oc4ccc(C(=O)O)cc4)cc1)[C@@H](C2)C3=O	ZINC000587442697	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4)c(OC)c1)[C@@H](C2)C3=O	ZINC000587442744	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4)c(OC)c1)[C@@H](C2)C3=O	ZINC000587442746	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccccc4)c(OC)c1)[C@@H](C2)C3=O	ZINC000587442791	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccccc4)c(OC)c1)[C@@H](C2)C3=O	ZINC000587442792	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](Cc1ccc(C(C)C)cc1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587443012	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587443014	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](Cc1ccc(C(C)C)cc1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587443015	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587443017	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1-c1ccccc1)[C@@H](C2)C3=O	ZINC000587443239	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1-c1ccccc1)[C@@H](C2)C3=O	ZINC000587443241	HJ	Annotated	Anodyne	
COC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587443312	HJ	Annotated	Anodyne	
COC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587443313	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)CCCN4C(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587443707	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)CCCN4C(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587443715	HJ	Annotated	Anodyne	
C=CCOc1ccc([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1	ZINC000587443725	HJ	Annotated	Mild	
C=CCOc1ccc([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1	ZINC000587443731	HJ	Annotated	Mild	
COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCc2ccccc2)c1	ZINC000587443842	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCc2ccccc2)c1	ZINC000587443845	HJ	Annotated	Anodyne	
COC(=O)c1ccccc1-c1cccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587443918	HJ	Annotated	Anodyne	
COC(=O)c1ccccc1-c1cccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587443919	HJ	Annotated	Anodyne	
COC(=O)c1ccccc1-c1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587444050	HJ	Annotated	Anodyne	
COC(=O)c1ccccc1-c1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587444051	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccc(OC(=O)c4cccc(C)c4)c1)[C@@H](C2)C3=O	ZINC000587444077	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccc(OC(=O)c4cccc(C)c4)c1)[C@@H](C2)C3=O	ZINC000587444078	HJ	Annotated	Anodyne	
COC(=O)c1ccccc1-c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587444157	HJ	Annotated	Anodyne	
COC(=O)c1ccccc1-c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587444159	HJ	Annotated	Anodyne	
COc1ccc(COc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1	ZINC000587444276	HJ	Annotated	Anodyne	
COc1ccc(COc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1	ZINC000587444279	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc4ccccc4nc1N1CCCCC1)[C@@H](C2)C3=O	ZINC000587444421	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc4ccccc4nc1N1CCCCC1)[C@@H](C2)C3=O	ZINC000587444422	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)OC1(CCC4(CCCN4C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O	ZINC000587444451	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)OC1(CCC4(CCCN4Cc4ccccc4)CC1)[C@@H](C2)C3=O	ZINC000587444464	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C=O)c(OC)c4)cc1)[C@@H](C2)C3=O	ZINC000587444631	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C=O)c(OC)c4)cc1)[C@@H](C2)C3=O	ZINC000587444632	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1	ZINC000587444721	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1	ZINC000587444723	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)N(C(=O)OC(C)(C)C)CCC4)[C@@H](C2)C3=O	ZINC000587444975	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)N(C(=O)OC(C)(C)C)CCC4)[C@@H](C2)C3=O	ZINC000587444977	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1	ZINC000587445091	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1	ZINC000587445093	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C=O)cc4)cc1OC)[C@@H](C2)C3=O	ZINC000587445226	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C=O)cc4)cc1OC)[C@@H](C2)C3=O	ZINC000587445228	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccc4c1N(C(=O)OC(C)(C)C)CCC4)[C@@H](C2)C3=O	ZINC000587445329	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccc4c1N(C(=O)OC(C)(C)C)CCC4)[C@@H](C2)C3=O	ZINC000587445330	HJ	Annotated	Anodyne	
COC(=O)c1cccc(-c2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1	ZINC000587445386	HJ	Annotated	Anodyne	
COC(=O)c1cccc(-c2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1	ZINC000587445387	HJ	Annotated	Anodyne	
CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CN1CCCCC1	ZINC000587445867	HJ	Annotated	Anodyne	
CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CN1CCCCC1	ZINC000587445871	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc([C@H](C)C(=O)O)c1)[C@@H](C2)C3=O	ZINC000587446282	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc([C@@H](C)C(=O)O)c1)[C@@H](C2)C3=O	ZINC000587446289	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc([C@H](C)C(=O)O)c1)[C@@H](C2)C3=O	ZINC000587446290	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc([C@@H](C)C(=O)O)c1)[C@@H](C2)C3=O	ZINC000587446291	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCCC[C@]1(CCC(=O)O)c1ccccc1)[C@@H](C2)C3=O	ZINC000587446816	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCCC[C@@]1(CCC(=O)O)c1ccccc1)[C@@H](C2)C3=O	ZINC000587446817	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCC[C@]1(CCC(=O)O)c1ccccc1)[C@@H](C2)C3=O	ZINC000587446818	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCC[C@@]1(CCC(=O)O)c1ccccc1)[C@@H](C2)C3=O	ZINC000587446819	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CCCC(=O)O)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O	ZINC000587447199	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCCC(=O)O)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O	ZINC000587447200	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O	ZINC000587447259	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O	ZINC000587447260	HJ	Annotated	Anodyne	
CCCCc1ccc([C@@]2(CCCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587447353	HJ	Annotated	Anodyne	
CCCCc1ccc([C@]2(CCCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587447354	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4cccc(CC(=O)O)c4)c1)[C@@H](C2)C3=O	ZINC000587447412	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4cccc(CC(=O)O)c4)c1)[C@@H](C2)C3=O	ZINC000587447413	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4[S@](C)=O)cc1)[C@@H](C2)C3=O	ZINC000587447470	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4[S@@](C)=O)cc1)[C@@H](C2)C3=O	ZINC000587447475	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4[S@](C)=O)cc1)[C@@H](C2)C3=O	ZINC000587447476	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4[S@@](C)=O)cc1)[C@@H](C2)C3=O	ZINC000587447477	HJ	Annotated	Anodyne	
CCCCCc1ccc([C@@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587447777	HJ	Annotated	Anodyne	
CCCCCc1ccc([C@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587447778	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1	ZINC000587448071	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1	ZINC000587448073	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccc(C(=O)O)cc4)cc1)[C@@H](C2)C3=O	ZINC000587448202	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccc(C(=O)O)cc4)cc1)[C@@H](C2)C3=O	ZINC000587448203	HJ	Annotated	Anodyne	
COc1ccc(CC[C@@]2(C3(O)CCCCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587448218	HJ	Annotated	Anodyne	
COc1ccc(CC[C@]2(C3(O)CCCCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587448219	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4ccccc4C(=O)O)c1)[C@@H](C2)C3=O	ZINC000587448499	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4ccccc4C(=O)O)c1)[C@@H](C2)C3=O	ZINC000587448500	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4ccc(C(=O)O)cc4)c1)[C@@H](C2)C3=O	ZINC000587448514	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4ccc(C(=O)O)cc4)c1)[C@@H](C2)C3=O	ZINC000587448515	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4cccc(C(=O)O)c4)c1)[C@@H](C2)C3=O	ZINC000587448582	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4cccc(C(=O)O)c4)c1)[C@@H](C2)C3=O	ZINC000587448583	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)OCC	ZINC000587448592	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)OCC	ZINC000587448593	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1cccs1)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O	ZINC000587448644	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1cccs1)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O	ZINC000587448646	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4c(C#N)sc(SC)c41)[C@@H](C2)C3=O	ZINC000587448664	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4c(C#N)sc(SC)c41)[C@@H](C2)C3=O	ZINC000587448668	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@](c1ccc(C)c(C)c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O	ZINC000587448785	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(C)c(C)c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O	ZINC000587448787	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1sc(Nc4ccccc4C)nc1Cl)[C@@H](C2)C3=O	ZINC000587449041	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1sc(Nc4ccccc4C)nc1Cl)[C@@H](C2)C3=O	ZINC000587449042	HJ	Annotated	Anodyne	
COc1ccc([C@]2(c3ccc(CC#N)s3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587449118	HJ	Annotated	Mild	
COc1ccc([C@@]2(c3ccc(CC#N)s3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587449123	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@H](c1sc(NC(=O)OC(C)(C)C)nc1Cl)[C@@H](C2)C3=O	ZINC000587449150	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1sc(NC(=O)OC(C)(C)C)nc1Cl)[C@@H](C2)C3=O	ZINC000587449155	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1cc(C)ccc1C)(c1ccccc1C(=O)O)[C@@H](C2)C3=O	ZINC000587449167	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1csc(N(C(C)=O)c4ccc(C)cc4)n1)[C@@H](C2)C3=O	ZINC000587449168	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1cc(C)ccc1C)(c1ccccc1C(=O)O)[C@@H](C2)C3=O	ZINC000587449169	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1csc(N(C(C)=O)c4ccc(C)cc4)n1)[C@@H](C2)C3=O	ZINC000587449170	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C=C(c4ccccc4OC)Oc4ccccc41)[C@@H](C2)C3=O	ZINC000587449224	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4OC)Oc4ccccc41)[C@@H](C2)C3=O	ZINC000587449235	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccco1)(c1c(N)sc4c1CC[C@@H](C)C4)[C@@H](C2)C3=O	ZINC000587449332	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccco1)(c1c(N)sc4c1CC[C@H](C)C4)[C@@H](C2)C3=O	ZINC000587449341	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccco1)(c1c(N)sc4c1CC[C@H](C)C4)[C@@H](C2)C3=O	ZINC000587449346	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccco1)(c1c(N)sc4c1CC[C@@H](C)C4)[C@@H](C2)C3=O	ZINC000587449348	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CBr)(C(C)(C)Br)CC2=O	ZINC000587449519	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(C(C)(C)Br)CC2=O	ZINC000587449525	HJ	Annotated	Reactive	
COC1=C(c2ccccc2)Oc2ccccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587449527	HJ	Annotated	Anodyne	
COC1=C(c2ccccc2)Oc2ccccc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587449530	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CSC#N)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O	ZINC000587449542	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CSC#N)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O	ZINC000587449549	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4)Oc4ccc(OC)cc41)[C@@H](C2)C3=O	ZINC000587449591	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C=C(c4ccccc4)Oc4ccc(OC)cc41)[C@@H](C2)C3=O	ZINC000587449596	HJ	Annotated	Anodyne	
COC1=Cc2ccccc2[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccsc21	ZINC000587449599	HJ	Annotated	Anodyne	
COC1=Cc2ccccc2[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccsc21	ZINC000587449607	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccccc4[N+](=O)[O-])s1)[C@@H](C2)C3=O	ZINC000587449644	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccccc4[N+](=O)[O-])s1)[C@@H](C2)C3=O	ZINC000587449652	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O	ZINC000587449664	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O	ZINC000587449666	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccsc4C#N)cc1)[C@@H](C2)C3=O	ZINC000587449860	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccsc4C#N)cc1)[C@@H](C2)C3=O	ZINC000587449861	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](C)(c1ccccc1-c1cccc(C(=O)O)c1)[C@@H](C2)C3=O	ZINC000587449892	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccccc1-c1cccc(C(=O)O)c1)[C@@H](C2)C3=O	ZINC000587449893	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccccn1)([C@@H](Br)CC)CC2=O	ZINC000587449923	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](c1ccccn1)([C@@H](Br)CC)CC2=O	ZINC000587449925	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](c1ccccn1)([C@H](Br)CC)CC2=O	ZINC000587449927	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](c1ccccn1)([C@H](Br)CC)CC2=O	ZINC000587449928	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](C)(c1ccccc1-c1ccc(C(=O)O)cc1)[C@@H](C2)C3=O	ZINC000587450030	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccccc1-c1ccc(C(=O)O)cc1)[C@@H](C2)C3=O	ZINC000587450032	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cnc(Nc4ccc(Cl)cn4)s1)[C@@H](C2)C3=O	ZINC000587450283	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cnc(Nc4ccc(Cl)cn4)s1)[C@@H](C2)C3=O	ZINC000587450286	HJ	Annotated	Anodyne	
COc1ccc(-c2nc(C)c([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)cc1	ZINC000587450347	HJ	Annotated	Anodyne	
COc1ccc(-c2nc(C)c([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)cc1	ZINC000587450350	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(c4cc(C)ccc4Sc4ccc(N)cc41)[C@@H](C2)C3=O	ZINC000587450612	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(c4cc(C)ccc4Sc4ccc(N)cc41)[C@@H](C2)C3=O	ZINC000587450615	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)cc4)nc4sccn14)[C@@H](C2)C3=O	ZINC000587450627	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)cc4)nc4sccn14)[C@@H](C2)C3=O	ZINC000587450634	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc4c(-c5ccccc5)nn(C)c4s1)[C@@H](C2)C3=O	ZINC000587450645	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc4c(-c5ccccc5)nn(C)c4s1)[C@@H](C2)C3=O	ZINC000587450648	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OC(c1ccccc1)=C[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587450673	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OC(c1ccccc1)=C[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587450675	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1csc(COc4ccc(Cl)cc4)n1)[C@@H](C2)C3=O	ZINC000587450859	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1csc(COc4ccc(Cl)cc4)n1)[C@@H](C2)C3=O	ZINC000587450861	HJ	Annotated	Anodyne	
CCOC(=O)C(C)(C)C[C@@]1(CSC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587450960	HJ	Annotated	Anodyne	
CCOC(=O)C(C)(C)C[C@]1(CSC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587450962	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1c(N)sc(C)c1C)[C@@H](C2)C3=O	ZINC000587451018	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1c(N)sc(C)c1C)[C@@H](C2)C3=O	ZINC000587451019	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC([C@@H](C)Br)([C@@H](C)Br)CC2=O	ZINC000587451061	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1OC([C@H](C)Br)([C@H](C)Br)CC2=O	ZINC000587451062	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@]([C@H](C)Br)([C@@H](C)Br)CC2=O	ZINC000587451064	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@H](c1nc4c(s1)C[C@H](c1ccccc1)CC4)[C@@H](C2)C3=O	ZINC000587451078	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1nc4c(s1)C[C@@H](c1ccccc1)CC4)[C@@H](C2)C3=O	ZINC000587451081	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1nc4c(s1)C[C@H](c1ccccc1)CC4)[C@@H](C2)C3=O	ZINC000587451084	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1nc4c(s1)C[C@@H](c1ccccc1)CC4)[C@@H](C2)C3=O	ZINC000587451086	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3c(s2)[C@]2(CCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587451173	HJ	Annotated	Anodyne	
COc1ccc(-c2nc3c(s2)[C@@]2(CCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587451174	HJ	Annotated	Anodyne	
CC[C@H]1CN=C(Nc2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)S1	ZINC000587451277	HJ	Annotated	Anodyne	
CC[C@@H]1CN=C(Nc2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)S1	ZINC000587451278	HJ	Annotated	Anodyne	
CC[C@@H]1CN=C(Nc2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)S1	ZINC000587451279	HJ	Annotated	Anodyne	
CC[C@H]1CN=C(Nc2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)S1	ZINC000587451280	HJ	Annotated	Anodyne	
CCc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1	ZINC000587451308	HJ	Annotated	Anodyne	
CCc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1	ZINC000587451309	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1nc(-c4cc(C)c(OC)c(C)c4)cs1)[C@@H](C2)C3=O	ZINC000587451375	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1nc(-c4cc(C)c(OC)c(C)c4)cs1)[C@@H](C2)C3=O	ZINC000587451376	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cc(Cl)sc1Cl)[C@@H](C2)C3=O	ZINC000587451586	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cc(Cl)sc1Cl)[C@@H](C2)C3=O	ZINC000587451587	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(SCc4ccco4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	ZINC000587451607	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1ccc(SCc4ccco4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	ZINC000587451609	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@]1(c4cc(Br)ccc4SC[C@@H]1C)[C@@H](C2)C3=O	ZINC000587451731	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(c4cc(Br)ccc4SC[C@H]1C)[C@@H](C2)C3=O	ZINC000587451734	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(c4cc(Br)ccc4SC[C@@H]1C)[C@@H](C2)C3=O	ZINC000587451735	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(c4cc(Br)ccc4SC[C@H]1C)[C@@H](C2)C3=O	ZINC000587451738	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CSc1ncc(C)s1)(c1cccs1)[C@@H](C2)C3=O	ZINC000587452078	HJ	Annotated	Clean	
COc1cc2c3c(c1)O[C@](CSc1ncc(C)s1)(c1cccs1)[C@@H](C2)C3=O	ZINC000587452082	HJ	Annotated	Clean	
COc1ccc([C@@]2(C=C(SC)SC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587452259	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C=C(SC)SC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587452262	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CC#N)(c1sccc1-n1c(C)ccc1C)[C@@H](C2)C3=O	ZINC000587452317	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@](CC#N)(c1sccc1-n1c(C)ccc1C)[C@@H](C2)C3=O	ZINC000587452318	HJ	Annotated	Mild	
COc1cc2c3c(c1)O[C@H](c1cccn1-c1nc4ccc(C)cc4s1)[C@@H](C2)C3=O	ZINC000587452435	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccn1-c1nc4ccc(C)cc4s1)[C@@H](C2)C3=O	ZINC000587452439	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4cccc(C(=O)O)c4)cc1)[C@@H](C2)C3=O	ZINC000587452447	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4cccc(C(=O)O)c4)cc1)[C@@H](C2)C3=O	ZINC000587452449	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CBr)(c1ccc4sccc4c1)[C@@H](C2)C3=O	ZINC000587452475	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4sccc4c1)[C@@H](C2)C3=O	ZINC000587452476	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4)Oc4ccc(O)cc41)[C@@H](C2)C3=O	ZINC000587452517	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccccc4)Oc4ccc(O)cc41)[C@@H](C2)C3=O	ZINC000587452519	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4)Oc4ccc(O)cc41)[C@@H](C2)C3=O	ZINC000587452521	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccccc4)Oc4ccc(O)cc41)[C@@H](C2)C3=O	ZINC000587452522	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](Cc1nc4ccccc4[nH]1)(c1cccs1)[C@@H](C2)C3=O	ZINC000587452632	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4[nH]1)(c1cccs1)[C@@H](C2)C3=O	ZINC000587452634	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1cnc(Cl)s1)[C@@H](C2)C3=O	ZINC000587452680	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1cnc(Cl)s1)[C@@H](C2)C3=O	ZINC000587452682	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)([C@H](O)c1ccc(C)cc1)[C@@H](C2)C3=O	ZINC000587452815	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)([C@@H](O)c1ccc(C)cc1)[C@@H](C2)C3=O	ZINC000587452817	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)([C@@H](O)c1ccc(C)cc1)[C@@H](C2)C3=O	ZINC000587452818	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)([C@H](O)c1ccc(C)cc1)[C@@H](C2)C3=O	ZINC000587452820	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(CSc4ccccn4)c1)[C@@H](C2)C3=O	ZINC000587452839	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CSc4ccccn4)c1)[C@@H](C2)C3=O	ZINC000587452841	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1SCc1ccco1)[C@@H](C2)C3=O	ZINC000587452865	HJ	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1SCc1ccco1)[C@@H](C2)C3=O	ZINC000587452868	HJ	Annotated	Bother	
CCC[C@@]1(c2ccc3c(c2)nc(S)n3CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587452873	HJ	Annotated	Anodyne	
CCC[C@]1(c2ccc3c(c2)nc(S)n3CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587452874	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1SC)([C@@H]1CCC[C@H]1C(=O)O)[C@@H](C2)C3=O	ZINC000587452885	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1SC)([C@@H]1CCC[C@H]1C(=O)O)[C@@H](C2)C3=O	ZINC000587452889	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4nc(Br)sc41)[C@@H](C2)C3=O	ZINC000587453121	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4nc(Br)sc41)[C@@H](C2)C3=O	ZINC000587453122	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)cc1	ZINC000587453157	HJ	Annotated	Anodyne	
COC(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)cc1	ZINC000587453158	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4cnc(Cl)s4)c1)[C@@H](C2)C3=O	ZINC000587453163	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccc(OCc4cnc(Cl)s4)c1)[C@@H](C2)C3=O	ZINC000587453164	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OCc4csc(C)n4)c(OC)c1)[C@@H](C2)C3=O	ZINC000587453222	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4csc(C)n4)c(OC)c1)[C@@H](C2)C3=O	ZINC000587453223	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4ccc(CC(=O)O)cc4)c1)[C@@H](C2)C3=O	ZINC000587453324	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4ccc(CC(=O)O)cc4)c1)[C@@H](C2)C3=O	ZINC000587453325	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1CC(C)=C(C)C[C@@H]1C(=O)O)[C@@H](C2)C3=O	ZINC000587453381	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1CC(C)=C(C)C[C@@H]1C(=O)O)[C@@H](C2)C3=O	ZINC000587453382	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1CC(C)=C(C)C[C@H]1C(=O)O)[C@@H](C2)C3=O	ZINC000587453387	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1CC(C)=C(C)C[C@H]1C(=O)O)[C@@H](C2)C3=O	ZINC000587453388	HJ	Annotated	Anodyne	
CCc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587453390	HJ	Annotated	Anodyne	
CCc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587453392	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1nc4cc(Br)ccc4s1)[C@@H](C2)C3=O	ZINC000587453410	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1nc4cc(Br)ccc4s1)[C@@H](C2)C3=O	ZINC000587453417	HJ	Annotated	Anodyne	
COc1cccc(-c2nc3sccn3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587453431	HJ	Annotated	Anodyne	
COc1cccc(-c2nc3sccn3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587453433	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cnc(Cl)s4)cc1)[C@@H](C2)C3=O	ZINC000587453555	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cnc(Cl)s4)cc1)[C@@H](C2)C3=O	ZINC000587453561	HJ	Annotated	Anodyne	
CCc1ccc([C@@]2([C@H]3CCCC[C@H]3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587453580	HJ	Annotated	Anodyne	
CCc1ccc([C@]2([C@H]3CCCC[C@H]3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587453582	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O	ZINC000587453583	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O	ZINC000587453587	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4)Oc4cccc(OC)c41)[C@@H](C2)C3=O	ZINC000587453601	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C=C(c4ccccc4)Oc4cccc(OC)c41)[C@@H](C2)C3=O	ZINC000587453608	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cccs4)c(OC)c1)[C@@H](C2)C3=O	ZINC000587453742	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cccs4)c(OC)c1)[C@@H](C2)C3=O	ZINC000587453745	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1cccs1)(c1oc4ccccc4c1N)[C@@H](C2)C3=O	ZINC000587453777	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1cccs1)(c1oc4ccccc4c1N)[C@@H](C2)C3=O	ZINC000587453778	HJ	Annotated	Anodyne	
C=CCSc1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1Cc1ccccc1	ZINC000587453801	HJ	Annotated	Mild	
C=CCSc1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1Cc1ccccc1	ZINC000587453804	HJ	Annotated	Mild	
COc1ccc(-c2cc3c(cc2[C@@H]2Oc4cc(OC)cc5c4C(=O)[C@H]2C5)OCO3)cc1	ZINC000587453894	HJ	Annotated	Anodyne	
COc1ccc(-c2cc3c(cc2[C@H]2Oc4cc(OC)cc5c4C(=O)[C@H]2C5)OCO3)cc1	ZINC000587453900	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCSc4ccc(Br)cc41)[C@@H](C2)C3=O	ZINC000587453925	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCSc4ccc(Br)cc41)[C@@H](C2)C3=O	ZINC000587453929	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1nc4ccc(Br)cc4s1)[C@@H](C2)C3=O	ZINC000587453952	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1nc4ccc(Br)cc4s1)[C@@H](C2)C3=O	ZINC000587453953	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(=O)c4csc(C)c4)cc1)[C@@H](C2)C3=O	ZINC000587454200	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(=O)c4csc(C)c4)cc1)[C@@H](C2)C3=O	ZINC000587454206	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C(c4ccccc4)=C(C)Oc4cc(O)ccc41)[C@@H](C2)C3=O	ZINC000587454364	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C(c4ccccc4)=C(C)Oc4cc(O)ccc41)[C@@H](C2)C3=O	ZINC000587454365	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CSc1nc4ccccc4s1)(C1CC1)[C@@H](C2)C3=O	ZINC000587454499	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CSc1nc4ccccc4s1)(C1CC1)[C@@H](C2)C3=O	ZINC000587454500	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CBr)(c1csc4ccccc14)[C@@H](C2)C3=O	ZINC000587454513	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](CBr)(c1csc4ccccc14)[C@@H](C2)C3=O	ZINC000587454514	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O	ZINC000587454618	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O	ZINC000587454620	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4)Oc4cc(O)ccc41)[C@@H](C2)C3=O	ZINC000587455143	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccccc4)Oc4cc(O)ccc41)[C@@H](C2)C3=O	ZINC000587455144	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4)Oc4cc(O)ccc41)[C@@H](C2)C3=O	ZINC000587455145	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccccc4)Oc4cc(O)ccc41)[C@@H](C2)C3=O	ZINC000587455146	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OCC)cc1)CC2=O	ZINC000587455324	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OCC)cc1)CC2=O	ZINC000587455326	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@H](c1c(Br)cccc1[N+](=O)[O-])CC2=O	ZINC000587455343	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cccc1[N+](=O)[O-])CC2=O	ZINC000587455344	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@](C)(c1cccc(Br)c1OC)CC2=O	ZINC000587455345	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(Br)c1OC)CC2=O	ZINC000587455346	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccccc1Br)CC2=O	ZINC000587455347	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccccc1Br)CC2=O	ZINC000587455348	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc([N+](=O)[O-])cc1)CC2=O	ZINC000587455351	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc([N+](=O)[O-])cc1)CC2=O	ZINC000587455352	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1Br)CC2=O	ZINC000587455363	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1Br)CC2=O	ZINC000587455364	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(Br)cc1OC)CC2=O	ZINC000587455371	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(Br)cc1OC)CC2=O	ZINC000587455372	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)c(OC)c1)CC2=O	ZINC000587455383	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Br)c(OC)c1)CC2=O	ZINC000587455384	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(O)c(OC)cc1Br)CC2=O	ZINC000587455415	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(O)c(OC)cc1Br)CC2=O	ZINC000587455416	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(Br)c1N)CC2=O	ZINC000587455417	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(Br)c1N)CC2=O	ZINC000587455418	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OC)cc1OC)CC2=O	ZINC000587455505	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OC)cc1OC)CC2=O	ZINC000587455507	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cc(OC)cc1OC)CC2=O	ZINC000587455571	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(Br)cc(OC)cc1OC)CC2=O	ZINC000587455572	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(OC)cc(Br)c1O)CC2=O	ZINC000587455599	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)cc(Br)c1O)CC2=O	ZINC000587455600	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(Br)c1)CC2=O	ZINC000587455611	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(Br)c1)CC2=O	ZINC000587455612	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OCCBr)CC2=O	ZINC000587455619	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OCCBr)CC2=O	ZINC000587455620	HJ	Annotated	Reactive	
CCOc1ccc(OCc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1	ZINC000587455695	HJ	Annotated	Anodyne	
CCOc1ccc(OCc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1	ZINC000587455696	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C5OCCO5)cc4)cc1)[C@@H](C2)C3=O	ZINC000587455733	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C5OCCO5)cc4)cc1)[C@@H](C2)C3=O	ZINC000587455734	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OC)cc1O)CC2=O	ZINC000587455760	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OC)cc1O)CC2=O	ZINC000587455762	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(C)ccc1OC)CC2=O	ZINC000587455792	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(C)ccc1OC)CC2=O	ZINC000587455793	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCBr)cc1)CC2=O	ZINC000587455802	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCBr)cc1)CC2=O	ZINC000587455803	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)cc1Br)CC2=O	ZINC000587455815	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)cc1Br)CC2=O	ZINC000587455816	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCBr)c1)CC2=O	ZINC000587455823	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCBr)c1)CC2=O	ZINC000587455824	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC)cc1)CC2=O	ZINC000587455881	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC)cc1)CC2=O	ZINC000587455883	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)cc1Br)CC2=O	ZINC000587455901	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)cc1Br)CC2=O	ZINC000587455903	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1Br)CC2=O	ZINC000587455928	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1Br)CC2=O	ZINC000587455930	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@](CBr)(COc1ccccc1)CC2=O	ZINC000587455990	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(COc1ccccc1)CC2=O	ZINC000587455992	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)c([N+](=O)[O-])c1)CC2=O	ZINC000587456009	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)c([N+](=O)[O-])c1)CC2=O	ZINC000587456010	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc([N+](=O)[O-])c1)CC2=O	ZINC000587456090	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc([N+](=O)[O-])c1)CC2=O	ZINC000587456091	HJ	Annotated	Reactive	
COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4O)Oc4ccccc41)[C@@H](C2)C3=O	ZINC000587456187	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccccc4O)Oc4ccccc41)[C@@H](C2)C3=O	ZINC000587456188	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4O)Oc4ccccc41)[C@@H](C2)C3=O	ZINC000587456189	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccccc4O)Oc4ccccc41)[C@@H](C2)C3=O	ZINC000587456190	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(O)cc1Br)CC2=O	ZINC000587456234	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(O)cc1Br)CC2=O	ZINC000587456235	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1c(Br)cccc1OC)CC2=O	ZINC000587456242	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1c(Br)cccc1OC)CC2=O	ZINC000587456243	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCBr)CC2=O	ZINC000587456252	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCBr)CC2=O	ZINC000587456253	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)ccc1Br)CC2=O	ZINC000587456254	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)ccc1Br)CC2=O	ZINC000587456255	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(OC(C)=O)ccc1Br)CC2=O	ZINC000587456320	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(OC(C)=O)ccc1Br)CC2=O	ZINC000587456321	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)c([N+](=O)[O-])c1)CC2=O	ZINC000587456451	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Br)c([N+](=O)[O-])c1)CC2=O	ZINC000587456456	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)c(O)cc1Br)CC2=O	ZINC000587456461	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)c(O)cc1Br)CC2=O	ZINC000587456466	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)CCO3)CC2=O	ZINC000587456512	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)CCO3)CC2=O	ZINC000587456517	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(N(C)C)cc1)CC2=O	ZINC000587456522	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(N(C)C)cc1)CC2=O	ZINC000587456523	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cccc1N(C)C)CC2=O	ZINC000587456572	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(Br)cccc1N(C)C)CC2=O	ZINC000587456573	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])c(Br)c1)CC2=O	ZINC000587456590	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])c(Br)c1)CC2=O	ZINC000587456591	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(Br)cc1O)CC2=O	ZINC000587456594	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(Br)cc1O)CC2=O	ZINC000587456595	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccccc4)Oc4ccc(OC)cc41)[C@@H](C2)C3=O	ZINC000587456735	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4)Oc4ccc(OC)cc41)[C@@H](C2)C3=O	ZINC000587456737	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4)Oc4ccc(OC)cc41)[C@@H](C2)C3=O	ZINC000587456739	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccccc4)Oc4ccc(OC)cc41)[C@@H](C2)C3=O	ZINC000587456740	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCOc3cc(Br)ccc31)CC2=O	ZINC000587456743	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCOc3cc(Br)ccc31)CC2=O	ZINC000587456749	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccc5c(c4)CCC5)o1)[C@@H](C2)C3=O	ZINC000587456926	HJ	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccc5c(c4)CCC5)o1)[C@@H](C2)C3=O	ZINC000587456935	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1OC)CC2=O	ZINC000587456936	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1OC)CC2=O	ZINC000587456937	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1ccnc(Cl)c1)CC2=O	ZINC000587456951	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccnc(Cl)c1)CC2=O	ZINC000587456952	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)cc1OC)CC2=O	ZINC000587456970	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Br)cc1OC)CC2=O	ZINC000587456972	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCNc3ccc(Br)cc31)CC2=O	ZINC000587456999	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCNc3ccc(Br)cc31)CC2=O	ZINC000587457002	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)c(C#N)c1)CC2=O	ZINC000587457007	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Br)c(C#N)c1)CC2=O	ZINC000587457014	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1[N+](=O)[O-])CC2=O	ZINC000587457086	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1[N+](=O)[O-])CC2=O	ZINC000587457088	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Br)ccc2NC12CC2	ZINC000587457131	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Br)ccc2NC12CC2	ZINC000587457132	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(OC)c1)CC2=O	ZINC000587457182	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(OC)c1)CC2=O	ZINC000587457183	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)(c1cccc(Br)c1[N+](=O)[O-])CC2=O	ZINC000587457194	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(Br)c1[N+](=O)[O-])CC2=O	ZINC000587457195	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@H](c1c(Br)ccc(OC)c1O)CC2=O	ZINC000587457214	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(Br)ccc(OC)c1O)CC2=O	ZINC000587457215	HJ	Annotated	Anodyne	
C#CCOc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1Br	ZINC000587457221	HJ	Annotated	Mild	
C#CCOc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1Br	ZINC000587457223	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@H](c1c(OC)cc(Br)cc1OC)CC2=O	ZINC000587457290	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(OC)cc(Br)cc1OC)CC2=O	ZINC000587457291	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1OCC)CC2=O	ZINC000587457317	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1OCC)CC2=O	ZINC000587457319	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)ccc1[N+](=O)[O-])CC2=O	ZINC000587457331	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)ccc1[N+](=O)[O-])CC2=O	ZINC000587457333	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@](CBr)([C@@H]1Cc3ccccc31)CC2=O	ZINC000587457352	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)([C@H]1Cc3ccccc31)CC2=O	ZINC000587457354	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CBr)([C@@H]1Cc3ccccc31)CC2=O	ZINC000587457382	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CBr)([C@H]1Cc3ccccc31)CC2=O	ZINC000587457383	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)O)cc1Br)CC2=O	ZINC000587457386	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)O)cc1Br)CC2=O	ZINC000587457387	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(O)c1Br)CC2=O	ZINC000587457388	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(O)c1Br)CC2=O	ZINC000587457389	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccc([N+](=O)[O-])c1Br)CC2=O	ZINC000587457407	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1cccc([N+](=O)[O-])c1Br)CC2=O	ZINC000587457408	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@@H](C)Br)CC2=O	ZINC000587457429	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@@H](C)Br)CC2=O	ZINC000587457430	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@H](C)Br)CC2=O	ZINC000587457431	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@H](C)Br)CC2=O	ZINC000587457432	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1[N+](=O)[O-])CC2=O	ZINC000587457437	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1[N+](=O)[O-])CC2=O	ZINC000587457438	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)cc([N+](=O)[O-])c1)CC2=O	ZINC000587457493	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)cc([N+](=O)[O-])c1)CC2=O	ZINC000587457494	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(OC)c1O)CC2=O	ZINC000587457495	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(OC)c1O)CC2=O	ZINC000587457496	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H]([C@H](C#N)c1ccc(Br)cc1)CC2=O	ZINC000587457507	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@H]([C@@H](C#N)c1ccc(Br)cc1)CC2=O	ZINC000587457508	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@H]([C@@H](C#N)c1ccc(Br)cc1)CC2=O	ZINC000587457509	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@H]([C@H](C#N)c1ccc(Br)cc1)CC2=O	ZINC000587457510	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1[N+](=O)[O-])CC2=O	ZINC000587457623	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1[N+](=O)[O-])CC2=O	ZINC000587457624	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1C(=O)OC)CC2=O	ZINC000587457646	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1C(=O)OC)CC2=O	ZINC000587457647	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)C=Cc2cc(Br)ccc21	ZINC000587457652	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)C=Cc2cc(Br)ccc21	ZINC000587457653	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Br)=COc2ccccc21	ZINC000587457727	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Br)=COc2ccccc21	ZINC000587457728	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(C)nc3ccc(Br)cn13)CC2=O	ZINC000587457749	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(C)nc3ccc(Br)cn13)CC2=O	ZINC000587457750	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc3c1OCC3)CC2=O	ZINC000587457765	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc3c1OCC3)CC2=O	ZINC000587457766	HJ	Annotated	Anodyne	
C#CCOc1ccc(Br)cc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1	ZINC000587457789	HJ	Annotated	Mild	
C#CCOc1ccc(Br)cc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1	ZINC000587457790	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1C(=O)OC)CC2=O	ZINC000587457795	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1C(=O)OC)CC2=O	ZINC000587457796	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(OC)c1OC)CC2=O	ZINC000587457836	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(OC)c1OC)CC2=O	ZINC000587457837	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc3[nH]nc(Br)c3c1)CC2=O	ZINC000587457927	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc3[nH]nc(Br)c3c1)CC2=O	ZINC000587457928	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCc3c1ccc(OC)c3Br)CC2=O	ZINC000587457931	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCc3c1ccc(OC)c3Br)CC2=O	ZINC000587457932	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3nccc(Br)c13)CC2=O	ZINC000587458034	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3nccc(Br)c13)CC2=O	ZINC000587458036	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(Br)c(OC)cc31)CC2=O	ZINC000587458124	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCc3cc(Br)c(OC)cc31)CC2=O	ZINC000587458127	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(Br)cccc31)CC2=O	ZINC000587458169	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCOc3c(Br)cccc31)CC2=O	ZINC000587458170	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cnc3c(C)cc(Br)cn13)CC2=O	ZINC000587458191	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cnc3c(C)cc(Br)cn13)CC2=O	ZINC000587458192	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3ncc(Br)cc13)CC2=O	ZINC000587458215	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3ncc(Br)cc13)CC2=O	ZINC000587458216	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c3cc(Br)ccc3nn1C)CC2=O	ZINC000587458219	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c3cc(Br)ccc3nn1C)CC2=O	ZINC000587458220	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1N(C)C)CC2=O	ZINC000587458261	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1N(C)C)CC2=O	ZINC000587458262	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(C=COc3cc(Br)ccc31)CC2=O	ZINC000587458275	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(C=COc3cc(Br)ccc31)CC2=O	ZINC000587458276	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(OCC)c1O)CC2=O	ZINC000587458323	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(OCC)c1O)CC2=O	ZINC000587458324	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)c(OC)nc1C)CC2=O	ZINC000587458341	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)c(OC)nc1C)CC2=O	ZINC000587458346	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCN(c3cccc(Br)c3)C1)CC2=O	ZINC000587458367	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCN(c3cccc(Br)c3)C1)CC2=O	ZINC000587458370	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1c[nH]c3nccc(Cl)c13)CC2=O	ZINC000587458461	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CCl)(c1c[nH]c3nccc(Cl)c13)CC2=O	ZINC000587458463	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cc(Br)cnc13)CC2=O	ZINC000587458491	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cc(Br)cnc13)CC2=O	ZINC000587458492	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccc(NC(C)=O)cc1)([C@@H](C)Cl)CC2=O	ZINC000587458497	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](c1ccc(NC(C)=O)cc1)([C@@H](C)Cl)CC2=O	ZINC000587458498	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](c1ccc(NC(C)=O)cc1)([C@H](C)Cl)CC2=O	ZINC000587458499	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](c1ccc(NC(C)=O)cc1)([C@H](C)Cl)CC2=O	ZINC000587458500	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@H](c1nc3cccc(C)n3c1Br)CC2=O	ZINC000587458501	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1nc3cccc(C)n3c1Br)CC2=O	ZINC000587458502	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1nc3c(C)cccn3c1Br)CC2=O	ZINC000587458511	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1nc3c(C)cccn3c1Br)CC2=O	ZINC000587458512	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCc3c(Br)ccc(OC)c31)CC2=O	ZINC000587458521	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCc3c(Br)ccc(OC)c31)CC2=O	ZINC000587458522	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](CCc1cncc(Br)c1C)CC2=O	ZINC000587458525	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](CCc1cncc(Br)c1C)CC2=O	ZINC000587458526	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCc3c(OC)ccc(Br)c31)CC2=O	ZINC000587458527	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCc3c(OC)ccc(Br)c31)CC2=O	ZINC000587458528	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)CCCl)cc1)CC2=O	ZINC000587458638	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)CCCl)cc1)CC2=O	ZINC000587458639	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)CCCC(=O)N3)CC2=O	ZINC000587458730	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)CCCC(=O)N3)CC2=O	ZINC000587458733	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1NC(=O)CCCl)CC2=O	ZINC000587458812	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1NC(=O)CCCl)CC2=O	ZINC000587458813	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](c1[nH]c(C)c(C(=O)OC)c1C)([C@@H](C)Cl)CC2=O	ZINC000587458849	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](c1[nH]c(C)c(C(=O)OC)c1C)([C@@H](C)Cl)CC2=O	ZINC000587458857	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](c1[nH]c(C)c(C(=O)OC)c1C)([C@H](C)Cl)CC2=O	ZINC000587458860	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](c1[nH]c(C)c(C(=O)OC)c1C)([C@H](C)Cl)CC2=O	ZINC000587458862	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@H](c1cnc3cc(C)c(Br)cn13)CC2=O	ZINC000587458886	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cnc3cc(C)c(Br)cn13)CC2=O	ZINC000587458891	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCl)([C@@H]1CCCN1C(=O)OC(C)(C)C)CC2=O	ZINC000587458977	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCl)([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O	ZINC000587458980	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccc(Cl)cc3Cl)nn1)CC2=O	ZINC000587459155	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccc(Cl)cc3Cl)nn1)CC2=O	ZINC000587459156	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCl)([C@@H]1CCCN1C(=O)OC(C)(C)C)CC2=O	ZINC000587459157	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CCl)([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O	ZINC000587459158	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](c1[nH]c(C)c(C(C)=O)c1C)([C@H](C)Cl)CC2=O	ZINC000587459184	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](c1[nH]c(C)c(C(C)=O)c1C)([C@@H](C)Cl)CC2=O	ZINC000587459186	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](c1[nH]c(C)c(C(C)=O)c1C)([C@@H](C)Cl)CC2=O	ZINC000587459188	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCCl)(c1ccc3c(c1)OCCO3)CC2=O	ZINC000587459189	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](c1[nH]c(C)c(C(C)=O)c1C)([C@H](C)Cl)CC2=O	ZINC000587459190	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CCCl)(c1ccc3c(c1)OCCO3)CC2=O	ZINC000587459191	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CCl)(c1[nH]c(C)c(C(=O)OCC)c1C)CC2=O	ZINC000587459213	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1[nH]c(C)c(C(=O)OCC)c1C)CC2=O	ZINC000587459217	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@]1(CCNc3cccc(Br)c31)CC2=O	ZINC000587459303	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCNc3cccc(Br)c31)CC2=O	ZINC000587459305	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ncc(Br)cc13)CC2=O	ZINC000587459317	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ncc(Br)cc13)CC2=O	ZINC000587459318	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(Br)ccc3c1OCO3)CC2=O	ZINC000587459411	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(Br)ccc3c1OCO3)CC2=O	ZINC000587459412	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)cc1[N+](=O)[O-])CC2=O	ZINC000587459439	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Br)cc1[N+](=O)[O-])CC2=O	ZINC000587459440	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@H](C)CC(=O)O)CC2=O	ZINC000587459521	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@H](C)CC(=O)O)CC2=O	ZINC000587459522	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@@H](C)CC(=O)O)CC2=O	ZINC000587459524	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@@H](C)CC(=O)O)CC2=O	ZINC000587459528	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccc(Br)cc1)CC2=O	ZINC000587459557	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccc(Br)cc1)CC2=O	ZINC000587459559	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@](CC#N)(c1cccc(Br)c1)CC2=O	ZINC000587459608	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cccc(Br)c1)CC2=O	ZINC000587459609	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)ccc1OC)CC2=O	ZINC000587459613	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)ccc1OC)CC2=O	ZINC000587459614	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccc(Cl)c(Cl)c3)nn1)CC2=O	ZINC000587459656	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccc(Cl)c(Cl)c3)nn1)CC2=O	ZINC000587459659	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc3[nH]ncc13)CC2=O	ZINC000587459688	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc3[nH]ncc13)CC2=O	ZINC000587459691	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1NC(=O)[C@@H](C)Cl)CC2=O	ZINC000587459752	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1NC(=O)[C@@H](C)Cl)CC2=O	ZINC000587459755	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1NC(=O)[C@H](C)Cl)CC2=O	ZINC000587459759	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1NC(=O)[C@H](C)Cl)CC2=O	ZINC000587459762	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@H](c1cc3cc(Br)cnc3o1)CC2=O	ZINC000587459765	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(Br)cnc3o1)CC2=O	ZINC000587459766	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)[C@@H](C)Cl)c1)CC2=O	ZINC000587459784	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)[C@@H](C)Cl)c1)CC2=O	ZINC000587459785	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)[C@H](C)Cl)c1)CC2=O	ZINC000587459786	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)[C@H](C)Cl)c1)CC2=O	ZINC000587459787	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(Cl)c(OC)c1)CC2=O	ZINC000587459811	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N(C)Cc1ccccc1Cl)CC2=O	ZINC000587459812	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(Cl)c(OC)c1)CC2=O	ZINC000587459813	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N(C)Cc1ccccc1Cl)CC2=O	ZINC000587459814	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1nc3cc(C)ccn3c1Br)CC2=O	ZINC000587459872	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1nc3cc(C)ccn3c1Br)CC2=O	ZINC000587459877	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1N(C)C)CC2=O	ZINC000587459891	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1N(C)C)CC2=O	ZINC000587459893	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCNc3c(Br)cccc31)CC2=O	ZINC000587459901	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCNc3c(Br)cccc31)CC2=O	ZINC000587459904	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1C(=O)O)CC2=O	ZINC000587459965	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1C(=O)O)CC2=O	ZINC000587459966	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCC(=O)OC)(c1ccc(Cl)cc1)CC2=O	ZINC000587460045	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCC(=O)OC)(c1ccc(Cl)cc1)CC2=O	ZINC000587460047	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2CC[C@H]1Br	ZINC000587460051	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2CC[C@@H]1Br	ZINC000587460055	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2CC[C@@H]1Br	ZINC000587460057	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2CC[C@H]1Br	ZINC000587460058	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)[C@@H](C)Cl)cc1)CC2=O	ZINC000587460080	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](C(=O)OC)(c1c[nH]c3ccc(Cl)cc13)CC2=O	ZINC000587460081	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)[C@@H](C)Cl)cc1)CC2=O	ZINC000587460083	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C(=O)OC)(c1c[nH]c3ccc(Cl)cc13)CC2=O	ZINC000587460084	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)[C@H](C)Cl)cc1)CC2=O	ZINC000587460085	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)[C@H](C)Cl)cc1)CC2=O	ZINC000587460087	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ncnc1NCc1ccccc1)CC2=O	ZINC000587460110	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ncnc1NCc1ccccc1)CC2=O	ZINC000587460114	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(OC)cc2C[C@H]1Br	ZINC000587460136	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(OC)cc2C[C@@H]1Br	ZINC000587460139	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(OC)cc2C[C@@H]1Br	ZINC000587460141	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(OC)cc2C[C@H]1Br	ZINC000587460143	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@H](c1nn(C)c3ccc(Br)cc13)CC2=O	ZINC000587460147	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1nn(C)c3ccc(Br)cc13)CC2=O	ZINC000587460149	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CBr)(C(F)(F)C(F)(F)F)CC2=O	ZINC000587460165	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CBr)(C(F)(F)C(F)(F)F)CC2=O	ZINC000587460174	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@H](c1n[nH]c3cc(Br)ccc13)CC2=O	ZINC000587460202	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1n[nH]c3cc(Br)ccc13)CC2=O	ZINC000587460206	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCCC(=O)O)(c1ccc(Cl)cn1)CC2=O	ZINC000587460235	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCCC(=O)O)(c1ccc(Cl)cn1)CC2=O	ZINC000587460241	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCOCC3)cc1Cl)CC2=O	ZINC000587460398	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCOCC3)cc1Cl)CC2=O	ZINC000587460399	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@@H](C)C(=O)O)c(Cl)c1)CC2=O	ZINC000587460405	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccccc1C(F)(F)F)CC2=O	ZINC000587460407	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@H](C)C(=O)O)c(Cl)c1)CC2=O	ZINC000587460408	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccccc1C(F)(F)F)CC2=O	ZINC000587460410	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@@H](C)C(=O)O)c(Cl)c1)CC2=O	ZINC000587460411	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@H](C)C(=O)O)c(Cl)c1)CC2=O	ZINC000587460413	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)C(F)(F)F)cc1)CC2=O	ZINC000587460456	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)C(F)(F)F)cc1)CC2=O	ZINC000587460458	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(C(=O)[C@H](C)Cl)c1C)CC2=O	ZINC000587460563	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(C(=O)[C@@H](C)Cl)c1C)CC2=O	ZINC000587460564	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(C(=O)[C@@H](C)Cl)c1C)CC2=O	ZINC000587460565	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(C(=O)[C@H](C)Cl)c1C)CC2=O	ZINC000587460566	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)OCCCO3)CC2=O	ZINC000587460635	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)OCCCO3)CC2=O	ZINC000587460636	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@H](c1n[nH]c3ccc(Br)cc13)CC2=O	ZINC000587460643	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1n[nH]c3ccc(Br)cc13)CC2=O	ZINC000587460645	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cnc3c(Br)cc(C)cn13)CC2=O	ZINC000587460677	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cnc3c(Br)cc(C)cn13)CC2=O	ZINC000587460678	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCl)(c1c(C)[nH]c(C(=O)OCC)c1C)CC2=O	ZINC000587460703	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(C)[nH]c(C(=O)OCC)c1C)CC2=O	ZINC000587460704	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCCOC)c1C)CC2=O	ZINC000587460717	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCCOC)c1C)CC2=O	ZINC000587460720	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(Cc1ccccc1Cl)CC2=O	ZINC000587461011	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(Cc1ccccc1Cl)CC2=O	ZINC000587461021	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(C=COc3ccc(Br)cc31)CC2=O	ZINC000587461089	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(C=COc3ccc(Br)cc31)CC2=O	ZINC000587461090	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc3ncc(Br)cc3o1)CC2=O	ZINC000587461118	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc3ncc(Br)cc3o1)CC2=O	ZINC000587461119	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(NC(=O)CC)cc1)CC2=O	ZINC000587461162	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(NC(=O)CC)cc1)CC2=O	ZINC000587461163	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CCl)(c1cc3c(O)coc3cc1OC)CC2=O	ZINC000587461164	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc3c(O)coc3cc1OC)CC2=O	ZINC000587461165	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CCl)(c1[nH]c(C)c(C(C)=O)c1CC)CC2=O	ZINC000587461211	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1[nH]c(C)c(C(C)=O)c1CC)CC2=O	ZINC000587461212	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C[C@@H](C)C(=O)O)(c1ccc(Cl)cc1)CC2=O	ZINC000587461413	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C[C@@H](C)C(=O)O)(c1ccc(Cl)cc1)CC2=O	ZINC000587461416	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C[C@H](C)C(=O)O)(c1ccc(Cl)cc1)CC2=O	ZINC000587461419	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C[C@H](C)C(=O)O)(c1ccc(Cl)cc1)CC2=O	ZINC000587461421	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1nnn(-c3cccc(Cl)c3)c1C)CC2=O	ZINC000587461475	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1nnn(-c3cccc(Cl)c3)c1C)CC2=O	ZINC000587461486	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(Cl)cc1)CC2=O	ZINC000587461519	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(Cl)cc1)CC2=O	ZINC000587461521	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCOCC3)cc1Cl)CC2=O	ZINC000587461549	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCOCC3)cc1Cl)CC2=O	ZINC000587461552	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc(Br)cc31)CC2=O	ZINC000587461554	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc(Br)cc31)CC2=O	ZINC000587461563	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N(C)Cc1cccc(Cl)c1)CC2=O	ZINC000587461668	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N(C)Cc1cccc(Cl)c1)CC2=O	ZINC000587461671	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCOC)c1C)CC2=O	ZINC000587461685	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCOC)c1C)CC2=O	ZINC000587461688	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(OC)ccc2C[C@H]1Br	ZINC000587461763	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(OC)ccc2C[C@@H]1Br	ZINC000587461764	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(OC)ccc2C[C@@H]1Br	ZINC000587461765	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(OC)ccc2C[C@H]1Br	ZINC000587461766	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(OC)c(Br)c31)CC2=O	ZINC000587461775	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(OC)c(Br)c31)CC2=O	ZINC000587461776	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cccc1N1CCOCC1)CC2=O	ZINC000587461813	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cccc1N1CCOCC1)CC2=O	ZINC000587461814	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cc(Br)ncc13)CC2=O	ZINC000587461838	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cc(Br)ncc13)CC2=O	ZINC000587461839	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccon3)c1C)CC2=O	ZINC000587461885	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccon3)c1C)CC2=O	ZINC000587461893	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@H](c1cc3cc4c(cc3nc1Cl)OCO4)CC2=O	ZINC000587461921	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc3cc4c(cc3nc1Cl)OCO4)CC2=O	ZINC000587461923	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](/C(C#N)=C\N(C)C)(c1ccccc1Cl)CC2=O	ZINC000587461963	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](/C(C#N)=C/N(C)C)(c1ccccc1Cl)CC2=O	ZINC000587461965	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](/C(C#N)=C\N(C)C)(c1ccccc1Cl)CC2=O	ZINC000587461968	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](/C(C#N)=C/N(C)C)(c1ccccc1Cl)CC2=O	ZINC000587461971	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3cccc(Cl)c3Cl)nn1)CC2=O	ZINC000587462130	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cn(-c3cccc(Cl)c3Cl)nn1)CC2=O	ZINC000587462131	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(Cl)nc(N3CCCC3)nc1Cl)CC2=O	ZINC000587462143	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)nc(N3CCCC3)nc1Cl)CC2=O	ZINC000587462153	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H]([C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC2=O	ZINC000587462154	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H]([C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC2=O	ZINC000587462162	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H]([C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC2=O	ZINC000587462164	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H]([C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC2=O	ZINC000587462167	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)cc([N+](=O)[O-])c1OC)CC2=O	ZINC000587462178	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)cc([N+](=O)[O-])c1OC)CC2=O	ZINC000587462179	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cccc(Cl)c1)CC2=O	ZINC000587462214	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cccc(Cl)c1)CC2=O	ZINC000587462216	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cc(CCl)c(OC)cc1OC)CC2=O	ZINC000587462286	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)(c1cc(CCl)c(OC)cc1OC)CC2=O	ZINC000587462287	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)C(C)(C)C(=O)N3)CC2=O	ZINC000587462294	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)C(C)(C)C(=O)N3)CC2=O	ZINC000587462295	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(C(=O)CCl)c1CC)CC2=O	ZINC000587462298	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(C(=O)CCl)c1CC)CC2=O	ZINC000587462299	HJ	Annotated	Reactive	
C#CCOc1c(Cl)cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OC	ZINC000587462348	HJ	Annotated	Mild	
C#CCOc1c(Cl)cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OC	ZINC000587462349	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(N3CCCC3=O)cc1)CC2=O	ZINC000587462350	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(N3CCCC3=O)cc1)CC2=O	ZINC000587462351	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CCl)(c1c(C)[nH]c(C)c1C(=O)OCC)CC2=O	ZINC000587462400	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(C)[nH]c(C)c1C(=O)OCC)CC2=O	ZINC000587462404	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](/C(C#N)=C\N(C)C)(c1ccc(Cl)cc1)CC2=O	ZINC000587462443	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](/C(C#N)=C/N(C)C)(c1ccc(Cl)cc1)CC2=O	ZINC000587462445	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](/C(C#N)=C/N(C)C)(c1ccc(Cl)cc1)CC2=O	ZINC000587462448	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](/C(C#N)=C\N(C)C)(c1ccc(Cl)cc1)CC2=O	ZINC000587462452	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)c(Cl)c1)(C(=O)O)CC2=O	ZINC000587462640	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)c(Cl)c1)(C(=O)O)CC2=O	ZINC000587462641	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)CC(C(=O)O)(c2cccc(Cl)c2)C1	ZINC000587462664	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(-c3ccc(Cl)cn3)c1C)CC2=O	ZINC000587462691	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cnn(-c3ccc(Cl)cn3)c1C)CC2=O	ZINC000587462692	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(=O)n(Cc3ccccc3)c1)CC2=O	ZINC000587462738	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(=O)n(Cc3ccccc3)c1)CC2=O	ZINC000587462739	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cc(Cl)ccc1OC)CC2=O	ZINC000587462829	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cc(Cl)ccc1OC)CC2=O	ZINC000587462830	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC(=O)Oc3c(Cl)cc(Cl)cc31)CC2=O	ZINC000587462861	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC(=O)Oc3c(Cl)cc(Cl)cc31)CC2=O	ZINC000587462875	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(OC)cc1Cl)CC2=O	ZINC000587463115	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(OC)cc1Cl)CC2=O	ZINC000587463116	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccccc1Cl)CC2=O	ZINC000587463189	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccccc1Cl)CC2=O	ZINC000587463190	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1nnn(-c3ccc(Cl)cc3)c1C)CC2=O	ZINC000587463258	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1nnn(-c3ccc(Cl)cc3)c1C)CC2=O	ZINC000587463259	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)C(F)(F)F)c1)CC2=O	ZINC000587463382	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)C(F)(F)F)c1)CC2=O	ZINC000587463383	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(C(F)(F)F)cc1)CC2=O	ZINC000587463400	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(C(F)(F)F)cc1)CC2=O	ZINC000587463401	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(C=C(C(F)(F)F)Oc3ccc(N)cc31)CC2=O	ZINC000587463504	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(C=C(C(F)(F)F)Oc3ccc(N)cc31)CC2=O	ZINC000587463507	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(Cl)cc1OC)CC2=O	ZINC000587463540	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(Cl)cc1OC)CC2=O	ZINC000587463542	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cn(Cc3ccc(Cl)cc3)nn1)CC2=O	ZINC000587463627	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cn(Cc3ccc(Cl)cc3)nn1)CC2=O	ZINC000587463629	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1c(C(F)(F)F)nn(C)c1Cl)CC2=O	ZINC000587464042	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1c(C(F)(F)F)nn(C)c1Cl)CC2=O	ZINC000587464043	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2[nH]nc(C(F)(F)F)c21	ZINC000587464306	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2[nH]nc(C(F)(F)F)c21	ZINC000587464307	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cccc(C(F)(F)F)c1)CC2=O	ZINC000587464406	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cccc(C(F)(F)F)c1)CC2=O	ZINC000587464407	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1nc3cc(C(F)(F)F)ccc3n1C)CC2=O	ZINC000587464461	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1nc3cc(C(F)(F)F)ccc3n1C)CC2=O	ZINC000587464462	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)nn1[C@@H]1CCCCO1)CC2=O	ZINC000587464568	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)nn1[C@H]1CCCCO1)CC2=O	ZINC000587464569	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)nn1[C@@H]1CCCCO1)CC2=O	ZINC000587464570	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)nn1[C@H]1CCCCO1)CC2=O	ZINC000587464571	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(Cn1nc(C(F)(F)F)cc1C1CC1)CC2=O	ZINC000587464604	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(Cn1nc(C(F)(F)F)cc1C1CC1)CC2=O	ZINC000587464605	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1cccc(C(F)(F)F)c1)CC2=O	ZINC000587464608	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1cccc(C(F)(F)F)c1)CC2=O	ZINC000587464609	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CCN(c3ncccc3C(F)(F)F)CC1)CC2=O	ZINC000587464688	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(F)cc1[N+](=O)[O-])CC2=O	ZINC000587464874	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(F)cc1[N+](=O)[O-])CC2=O	ZINC000587464875	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccc(C(F)(F)F)cc1)CC2=O	ZINC000587464917	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccc(C(F)(F)F)cc1)CC2=O	ZINC000587464918	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1cccc(OC(F)F)c1)CC2=O	ZINC000587464986	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1cccc(OC(F)F)c1)CC2=O	ZINC000587464987	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cccc(OC(F)F)c1)CC2=O	ZINC000587464988	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cccc(OC(F)F)c1)CC2=O	ZINC000587464989	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1cc(C=O)n(C)c1)(c1ccccc1F)CC2=O	ZINC000587465134	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1cc(C=O)n(C)c1)(c1ccccc1F)CC2=O	ZINC000587465135	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(F)cc(F)c1)CC2=O	ZINC000587465139	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(F)cc(F)c1)CC2=O	ZINC000587465141	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@H](c1cc(F)ccc1N1C[C@H](C)O[C@H](C)C1)CC2=O	ZINC000587465239	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(F)ccc1N1C[C@H](C)O[C@H](C)C1)CC2=O	ZINC000587465240	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1ccc(OC(F)F)cc1)CC2=O	ZINC000587465261	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc(OC(F)F)cc1)CC2=O	ZINC000587465263	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc(OC(F)F)cc1)CC2=O	ZINC000587465265	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1ccc(OC(F)F)cc1)CC2=O	ZINC000587465267	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(F)F)c(OC)c1[N+](=O)[O-])CC2=O	ZINC000587465286	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(F)F)c(OC)c1[N+](=O)[O-])CC2=O	ZINC000587465287	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(F)c(Cl)c1)CC2=O	ZINC000587465468	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(F)c(Cl)c1)CC2=O	ZINC000587465470	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(F)c1OC)CC2=O	ZINC000587465568	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(F)c1OC)CC2=O	ZINC000587465569	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cc(F)c(F)cc1F)CC2=O	ZINC000587465592	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cc(F)c(F)cc1F)CC2=O	ZINC000587465593	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OC)cc1F)CC2=O	ZINC000587465632	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OC)cc1F)CC2=O	ZINC000587465633	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(OCC)c(F)c1)CC2=O	ZINC000587465649	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(OCC)c(F)c1)CC2=O	ZINC000587465650	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](Cc1ncc[nH]1)(c1ccc(Cl)cc1F)CC2=O	ZINC000587465756	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](Cc1ncc[nH]1)(c1ccc(Cl)cc1F)CC2=O	ZINC000587465760	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(NC(C)=O)cc1F)CC2=O	ZINC000587465806	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(NC(C)=O)cc1F)CC2=O	ZINC000587465809	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC)cc1F)CC2=O	ZINC000587465845	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC)cc1F)CC2=O	ZINC000587465846	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(F)c(F)c1)CC2=O	ZINC000587465869	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(F)c(F)c1)CC2=O	ZINC000587465967	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])CC2=O	ZINC000587466037	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])CC2=O	ZINC000587466040	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(C3OCCO3)c1Cl)CC2=O	ZINC000587466094	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(C3OCCO3)c1Cl)CC2=O	ZINC000587466096	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(F)c(C)c1)CC2=O	ZINC000587466107	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(F)c(C)c1)CC2=O	ZINC000587466110	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCCC(=O)O)(c1ccc(OC)c(F)c1)CC2=O	ZINC000587466161	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCCC(=O)O)(c1ccc(OC)c(F)c1)CC2=O	ZINC000587466164	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1cc(F)cc(F)c1)(c1cccnc1N)CC2=O	ZINC000587466240	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1cc(F)cc(F)c1)(c1cccnc1N)CC2=O	ZINC000587466242	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)c3ccc(F)cc3)cn1C)CC2=O	ZINC000587466255	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)c3ccc(F)cc3)cn1C)CC2=O	ZINC000587466256	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(CC(C)(OC)OC)c1F)CC2=O	ZINC000587466277	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cccc(CC(C)(OC)OC)c1F)CC2=O	ZINC000587466279	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(SCC(=O)O)cc1F)CC2=O	ZINC000587466288	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(SCC(=O)O)cc1F)CC2=O	ZINC000587466303	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(Cl)c(F)c1)CC2=O	ZINC000587466355	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(Br)c1OC)CC2=O	ZINC000587466368	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(Br)c1OC)CC2=O	ZINC000587466370	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(Cl)c(F)c1)CC2=O	ZINC000587466371	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1c(Cl)ccc(F)c1Cl)CC2=O	ZINC000587466373	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1c(Cl)ccc(F)c1Cl)CC2=O	ZINC000587466375	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(F)c(Cl)c1)CC2=O	ZINC000587466470	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(F)c(Cl)c1)CC2=O	ZINC000587466472	HJ	Annotated	Anodyne	
C#C[C@@]1(c2ccc(Br)cc2F)CC(=O)c2ccc(O)c(CCC)c2O1	ZINC000587466611	HJ	Annotated	Mild	
C#C[C@]1(c2ccc(Br)cc2F)CC(=O)c2ccc(O)c(CCC)c2O1	ZINC000587466613	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CCC[C@H]1CC(C(=O)N(CC)CC)C2	ZINC000587466713	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(F)ccc1OC)CC2=O	ZINC000587466766	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(F)ccc1OC)CC2=O	ZINC000587466767	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(OC)c1F)CC2=O	ZINC000587466770	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(OC)c1F)CC2=O	ZINC000587466773	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])c(OC)c1OC(F)F)CC2=O	ZINC000587466906	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])c(OC)c1OC(F)F)CC2=O	ZINC000587466907	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)c(OC)c1F)CC2=O	ZINC000587466937	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)c(OC)c1F)CC2=O	ZINC000587466938	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(F)ccc1F)CC2=O	ZINC000587466983	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(F)ccc1F)CC2=O	ZINC000587466984	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(F)cc1F)CC2=O	ZINC000587467055	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(F)cc1F)CC2=O	ZINC000587467056	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(CC#N)cc21	ZINC000587467069	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(CC#N)cc21	ZINC000587467074	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1cc(C=O)n(C)c1)CC2=O	ZINC000587467143	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1cc(C=O)n(C)c1)CC2=O	ZINC000587467145	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccccc3)CC1(F)F)CC2=O	ZINC000587467287	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCN(Cc3ccccc3)CC1(F)F)CC2=O	ZINC000587467290	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(F)cc(Br)cc1OC)CC2=O	ZINC000587467341	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc(Br)cc1OC)CC2=O	ZINC000587467342	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(F)c1F)CC2=O	ZINC000587467406	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(F)c1F)CC2=O	ZINC000587467407	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)c3ccccc3F)cn1C)CC2=O	ZINC000587467408	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)c3ccccc3F)cn1C)CC2=O	ZINC000587467409	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC)c(F)c1)CC2=O	ZINC000587467438	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC)c(F)c1)CC2=O	ZINC000587467440	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CNC(=O)OC(C)(C)C)(c1ccccc1)CC2=O	ZINC000587467514	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CNC(=O)OC(C)(C)C)(c1ccccc1)CC2=O	ZINC000587467515	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CCC(CNC(=O)OC(C)(C)C)CC1)CC2=O	ZINC000587467634	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(F)cccc1F)CC2=O	ZINC000587467927	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(c1c(F)cccc1F)CC2=O	ZINC000587467929	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@H](c1c(Br)ccc(OC)c1F)CC2=O	ZINC000587467943	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(Br)ccc(OC)c1F)CC2=O	ZINC000587467944	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(SCC(=O)O)c(F)c1)CC2=O	ZINC000587467989	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(SCC(=O)O)c(F)c1)CC2=O	ZINC000587467990	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC(F)F)c(OC)c1)CC2=O	ZINC000587468039	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC(F)F)c(OC)c1)CC2=O	ZINC000587468041	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccccc1N)(c1ccccc1C(=O)O)CC2=O	ZINC000587468100	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccccc1N)(c1ccccc1C(=O)O)CC2=O	ZINC000587468103	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H]([C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)CC2=O	ZINC000587468269	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H]([C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)CC2=O	ZINC000587468270	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)CC2=O	ZINC000587468271	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)CC2=O	ZINC000587468272	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(F)c(Cl)c1)CC2=O	ZINC000587468469	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(F)c(Cl)c1)CC2=O	ZINC000587468473	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(F)cc1Br)CC2=O	ZINC000587468483	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(F)cc1Br)CC2=O	ZINC000587468486	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])c(Br)cc1F)CC2=O	ZINC000587468689	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])c(Br)cc1F)CC2=O	ZINC000587468693	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(CC#N)ccc21	ZINC000587468755	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(CC#N)ccc21	ZINC000587468758	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)c3ccc(C)cc3)cn1C)CC2=O	ZINC000587468865	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)c3ccc(C)cc3)cn1C)CC2=O	ZINC000587468869	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(Cl)cc1F)CC2=O	ZINC000587468964	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(Cl)cc1F)CC2=O	ZINC000587468968	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(F)c(F)c1O)CC2=O	ZINC000587468970	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(F)c(F)c1O)CC2=O	ZINC000587468977	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccc(OCC)c(F)c1)CC2=O	ZINC000587469013	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccc(OCC)c(F)c1)CC2=O	ZINC000587469014	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CCC(N(C)C(=O)OC(C)(C)C)CC1)CC2=O	ZINC000587469088	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@H]1CC[C@@H](C(=O)O)C1)CC2=O	ZINC000587469140	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)([C@H]1CC[C@@H](C(=O)O)C1)CC2=O	ZINC000587469141	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cc1ccc(F)cc1)C(=O)OCC)CC2=O	ZINC000587469171	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)([C@H](Cc1ccc(F)cc1)C(=O)OCC)CC2=O	ZINC000587469172	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cc1ccc(F)cc1)C(=O)OCC)CC2=O	ZINC000587469173	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cc1ccc(F)cc1)C(=O)OCC)CC2=O	ZINC000587469174	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccn1CCOc1cccc(OC)c1)CC2=O	ZINC000587469461	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cccn1CCOc1cccc(OC)c1)CC2=O	ZINC000587469463	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(C)cccc1I)CC2=O	ZINC000587469590	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(C)cccc1I)CC2=O	ZINC000587469592	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1nccc3ccccc13)(c1nccn1C)CC2=O	ZINC000587469795	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1nccc3ccccc13)(c1nccn1C)CC2=O	ZINC000587469796	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCn1ccnc1)(c1ccc(OC)cc1)CC2=O	ZINC000587469877	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCn1ccnc1)(c1ccc(OC)cc1)CC2=O	ZINC000587469878	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccn1CCOc1ccc(OC)cc1)CC2=O	ZINC000587470104	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cccn1CCOc1ccc(OC)cc1)CC2=O	ZINC000587470106	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3ccnc3CC)c1)CC2=O	ZINC000587470163	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3ccnc3CC)c1)CC2=O	ZINC000587470169	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cccc(I)c1)CC2=O	ZINC000587470175	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(I)c1)CC2=O	ZINC000587470178	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(C[C@H]3CCCN3CC)c1C)CC2=O	ZINC000587470249	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(C[C@H]3CCCN3CC)c1C)CC2=O	ZINC000587470254	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(C[C@@H]3CCCN3CC)c1C)CC2=O	ZINC000587470255	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(C[C@@H]3CCCN3CC)c1C)CC2=O	ZINC000587470256	HJ	Annotated	Anodyne	
C=CCN(C[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1)C(=O)OCc1ccccc1	ZINC000587470297	HJ	Annotated	Mild	
C=CCN(C[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1)C(=O)OCc1ccccc1	ZINC000587470298	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@](CC)(c1c(C)n(CC(=O)O)c3ccccc13)CC2=O	ZINC000587470500	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC)(c1c(C)n(CC(=O)O)c3ccccc13)CC2=O	ZINC000587470501	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cccc(NC)c21	ZINC000587470508	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(CC(=O)OCC)c3ccccc13)CC2=O	ZINC000587470533	HJ	Annotated	Clean	
CCCc1c(O)ccc2c1O[C@H](c1c(C)n(CC(=O)OCC)c3ccccc13)CC2=O	ZINC000587470534	HJ	Annotated	Clean	
CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1cc(C=O)n(C)c1)CC2=O	ZINC000587470539	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1cc(C=O)n(C)c1)CC2=O	ZINC000587470540	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccn1[C@@H](C(=O)O)c1ccccc1)CC2=O	ZINC000587470577	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cccn1[C@@H](C(=O)O)c1ccccc1)CC2=O	ZINC000587470578	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccn1[C@H](C(=O)O)c1ccccc1)CC2=O	ZINC000587470579	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cccn1[C@H](C(=O)O)c1ccccc1)CC2=O	ZINC000587470580	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Oc2cc(OCC#N)ccc21	ZINC000587470628	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Oc2cc(OCC#N)ccc21	ZINC000587470629	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Br)=COc2ccc(F)cc21	ZINC000587470732	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Br)=COc2ccc(F)cc21	ZINC000587470733	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)OCC)[nH]c3ccc(F)cc13)CC2=O	ZINC000587470784	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cccc(NC)c21	ZINC000587470802	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)c3cc(C)on3)c1)CC2=O	ZINC000587470806	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)c3cc(C)on3)c1)CC2=O	ZINC000587470808	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1c(C)n(CC(=O)O)c3ccccc13)CC2=O	ZINC000587470821	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)n(CC(=O)O)c3ccccc13)CC2=O	ZINC000587470824	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@H]1NC(=O)OC(C)(C)C)CC2=O	ZINC000587470992	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@@H]1NC(=O)OC(C)(C)C)CC2=O	ZINC000587470998	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@@H]1NC(=O)OC(C)(C)C)CC2=O	ZINC000587471000	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@H]1NC(=O)OC(C)(C)C)CC2=O	ZINC000587471002	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)OCC)[nH]c3ccc(F)cc13)CC2=O	ZINC000587471135	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccccc1I)CC2=O	ZINC000587471175	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccccc1I)CC2=O	ZINC000587471179	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)CC2(CC(NC(=O)OC(C)(C)C)C2)C1	ZINC000587471429	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1cn(CC(=O)O)c3ccccc13)(C(C)C)CC2=O	ZINC000587471448	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1cn(CC(=O)O)c3ccccc13)(C(C)C)CC2=O	ZINC000587471449	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cn(CCC(=O)O)c3ccccc13)CC2=O	ZINC000587471501	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cn(CCC(=O)O)c3ccccc13)CC2=O	ZINC000587471502	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(F)cc2CCc2ncccc21	ZINC000587471610	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(F)cc2CCc2ncccc21	ZINC000587471616	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(NC)cccc21	ZINC000587471634	HJ	Annotated	Clean	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(NC)cccc21	ZINC000587471637	HJ	Annotated	Clean	
CCCc1c(O)ccc2c1O[C@@](C)(c1cn(CC(=O)O)c3c(CC)cccc13)CC2=O	ZINC000587471737	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cn(CC(=O)O)c3c(CC)cccc13)CC2=O	ZINC000587471738	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3nccn3C)cc1)CC2=O	ZINC000587471747	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3nccn3C)cc1)CC2=O	ZINC000587471748	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3ccnc3C)c1)CC2=O	ZINC000587471755	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3ccnc3C)c1)CC2=O	ZINC000587471756	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cn([C@@H](C)C(=O)O)c3ccccc13)CC2=O	ZINC000587471773	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cn([C@H](C)C(=O)O)c3ccccc13)CC2=O	ZINC000587471774	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cn([C@@H](C)C(=O)O)c3ccccc13)CC2=O	ZINC000587471775	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cn([C@H](C)C(=O)O)c3ccccc13)CC2=O	ZINC000587471776	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C1CCC1)([C@@H](C)NC(=O)OC(C)(C)C)CC2=O	ZINC000587471906	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C1CCC1)([C@H](C)NC(=O)OC(C)(C)C)CC2=O	ZINC000587471907	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C1CCC1)([C@H](C)NC(=O)OC(C)(C)C)CC2=O	ZINC000587471908	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C1CCC1)([C@@H](C)NC(=O)OC(C)(C)C)CC2=O	ZINC000587471909	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cnc1NC(=O)C(C)(C)C)CC2=O	ZINC000587472054	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(F)cnc1NC(=O)C(C)(C)C)CC2=O	ZINC000587472055	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)c3cccnc3)c1)CC2=O	ZINC000587472135	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)c3cccnc3)c1)CC2=O	ZINC000587472136	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1CNC(=O)OC(C)(C)C)CC2=O	ZINC000587472139	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cccn1[C@@H](Cc1ccccc1)C(=O)O)CC2=O	ZINC000587472141	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1CNC(=O)OC(C)(C)C)CC2=O	ZINC000587472142	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1CNC(=O)OC(C)(C)C)CC2=O	ZINC000587472143	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1CNC(=O)OC(C)(C)C)CC2=O	ZINC000587472144	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccn1[C@@H](Cc1ccccc1)C(=O)O)CC2=O	ZINC000587472145	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccccc1C(=O)OC)CC2=O	ZINC000587472251	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccccc1C(=O)OC)CC2=O	ZINC000587472252	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc([N+](=O)[O-])cc1OC)CC2=O	ZINC000587472323	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc([N+](=O)[O-])cc1OC)CC2=O	ZINC000587472324	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(C)c(N)c21	ZINC000587472356	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(C)c(N)c21	ZINC000587472357	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1I)CC2=O	ZINC000587472447	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1I)CC2=O	ZINC000587472448	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1cnn3-c1ccc(F)cc1)CC2=O	ZINC000587472479	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCCc3c1cnn3-c1ccc(F)cc1)CC2=O	ZINC000587472480	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(OC)cc1[N+](=O)[O-])CC2=O	ZINC000587472537	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(OC)cc1[N+](=O)[O-])CC2=O	ZINC000587472538	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1cn(CCC#N)nc1-c1ccc(F)cc1)CC2=O	ZINC000587472669	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@H](c1cn(CCC#N)nc1-c1ccc(F)cc1)CC2=O	ZINC000587472670	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c1ccc(C)c2N	ZINC000587472698	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c1ccc(C)c2N	ZINC000587472699	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(N)c([N+](=O)[O-])c1)CC2=O	ZINC000587472708	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(N)c([N+](=O)[O-])c1)CC2=O	ZINC000587472709	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCCC3)c([N+](=O)[O-])c1)CC2=O	ZINC000587472718	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCCC3)c([N+](=O)[O-])c1)CC2=O	ZINC000587472719	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(OCCN)cc1)CC2=O	ZINC000587472758	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(OCCN)cc1)CC2=O	ZINC000587472759	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(F)cc(Br)cc31)CC2=O	ZINC000587472829	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCOc3c(F)cc(Br)cc31)CC2=O	ZINC000587472830	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc([N+](=O)[O-])cc1C#N)CC2=O	ZINC000587472847	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc([N+](=O)[O-])cc1C#N)CC2=O	ZINC000587472850	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(F)cc3)nc3ncccn13)CC2=O	ZINC000587472905	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(F)cc3)nc3ncccn13)CC2=O	ZINC000587472906	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Br)=COc2cc(F)ccc21	ZINC000587473283	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Br)=COc2cc(F)ccc21	ZINC000587473284	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(I)cc1)CC2=O	ZINC000587473297	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(I)cc1)CC2=O	ZINC000587473298	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)CC2=O	ZINC000587473331	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@](C)(c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)CC2=O	ZINC000587473332	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc3oc(N)nc3c1)CC2=O	ZINC000587473363	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc3oc(N)nc3c1)CC2=O	ZINC000587473364	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCCCC1)CC2=O	ZINC000587473420	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1N1CCCCC1)CC2=O	ZINC000587473421	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@](/C(=N/N)c1ccccc1)(c1ccccc1)CC2=O	ZINC000587473510	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@](/C(=N/N)c1ccccc1)(c1ccccc1)CC2=O	ZINC000587473511	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc([N+](=O)[O-])ccc1N)CC2=O	ZINC000587473528	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc([N+](=O)[O-])ccc1N)CC2=O	ZINC000587473529	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cc([N+](=O)[O-])ccc1OC)CC2=O	ZINC000587473596	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cc([N+](=O)[O-])ccc1OC)CC2=O	ZINC000587473597	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCC(C(=O)O)CC3)cc1)CC2=O	ZINC000587473894	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCC(C(=O)O)CC3)cc1)CC2=O	ZINC000587473895	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(C(C)(C)N1CCOCC1)CC2=O	ZINC000587473940	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(C(C)(C)N1CCOCC1)CC2=O	ZINC000587473946	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CCC3(CC1)CN(C(=O)OC(C)(C)C)C3)CC2=O	ZINC000587474013	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C	ZINC000587474055	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C	ZINC000587474056	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C	ZINC000587474057	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C	ZINC000587474058	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCCC3)c(C(=O)OC)c1)CC2=O	ZINC000587474185	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCCC3)c(C(=O)OC)c1)CC2=O	ZINC000587474190	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)CC1(C)C)CC2=O	ZINC000587474284	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)CC1(C)C)CC2=O	ZINC000587474286	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1cn(CC(=O)O)c3ccccc13)(C1CC1)CC2=O	ZINC000587474382	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1cn(CC(=O)O)c3ccccc13)(C1CC1)CC2=O	ZINC000587474383	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccccc1N1CCN(CCC)CC1)CC2=O	ZINC000587474547	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccccc1N1CCN(CCC)CC1)CC2=O	ZINC000587474548	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O	ZINC000587474631	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O	ZINC000587474633	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)C[C@H]1C)CC2=O	ZINC000587474651	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)C[C@@H]1C)CC2=O	ZINC000587474652	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)C[C@H]1C)CC2=O	ZINC000587474653	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)C[C@@H]1C)CC2=O	ZINC000587474654	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](C1CCN(C(=O)OCc3ccccc3)CC1)CC2=O	ZINC000587474800	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](C1CCN(C(=O)OCc3ccccc3)CC1)CC2=O	ZINC000587474801	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCCN(C(=O)Oc3ccccc3)CC1)CC2=O	ZINC000587474865	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCN(C(=O)Oc3ccccc3)CC1)CC2=O	ZINC000587474867	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(C[C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O	ZINC000587474934	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(C[C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O	ZINC000587474935	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(C[C@@H]1CCCN1C(=O)OC(C)(C)C)CC2=O	ZINC000587474936	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(C[C@@H]1CCCN1C(=O)OC(C)(C)C)CC2=O	ZINC000587474937	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCCCN1C(=O)OCc1ccccc1)CC2=O	ZINC000587474947	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCCCN1C(=O)OCc1ccccc1)CC2=O	ZINC000587474948	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H]([C@H]1CCCCN1C(=O)OCc1ccccc1)CC2=O	ZINC000587474949	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCCCN1C(=O)OCc1ccccc1)CC2=O	ZINC000587474950	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cn(CCC#N)nc1-c1ccccc1)CC2=O	ZINC000587474988	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@H](c1cn(CCC#N)nc1-c1ccccc1)CC2=O	ZINC000587474989	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@](C)(c1cnn(-c3ccc(C#N)cc3)c1C)CC2=O	ZINC000587475048	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(-c3ccc(C#N)cc3)c1C)CC2=O	ZINC000587475049	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)CC[C@H]1C)CC2=O	ZINC000587475139	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)CC[C@H]1C)CC2=O	ZINC000587475141	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)CC2=O	ZINC000587475143	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)CC2=O	ZINC000587475144	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)([C@H]1CCCCN1C(=O)OC(C)(C)C)CC2=O	ZINC000587475182	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)([C@@H]1CCCCN1C(=O)OC(C)(C)C)CC2=O	ZINC000587475184	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1CCCCN1C(=O)OC(C)(C)C)CC2=O	ZINC000587475186	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)([C@H]1CCCCN1C(=O)OC(C)(C)C)CC2=O	ZINC000587475188	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)OCC)c3ccccc13)CC2=O	ZINC000587475310	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)OCC)c3ccccc13)CC2=O	ZINC000587475311	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)CC2=O	ZINC000587475539	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCCN(C(=O)OC(C)(C)C)CC1)CC2=O	ZINC000587475540	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)CC2=O	ZINC000587475541	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H]([C@H]1CCCN(C(=O)OC(C)(C)C)CC1)CC2=O	ZINC000587475542	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccccc1N(C)C1CCN(C)CC1)CC2=O	ZINC000587475570	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccccc1N(C)C1CCN(C)CC1)CC2=O	ZINC000587475572	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CCCN(C(=O)OC(C)(C)C)CCC1)CC2=O	ZINC000587475596	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2=O	ZINC000587475605	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)NC(C)C)c3ccccc13)CC2=O	ZINC000587475646	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)NC(C)C)c3ccccc13)CC2=O	ZINC000587475649	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3cc(C)cn3)c1)CC2=O	ZINC000587475701	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3cc(C)cn3)c1)CC2=O	ZINC000587475703	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1nn(C(=O)OC(C)(C)C)c3ncccc13)CC2=O	ZINC000587475736	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1nn(C(=O)OC(C)(C)C)c3ncccc13)CC2=O	ZINC000587475737	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2=O	ZINC000587475820	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2=O	ZINC000587475823	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2=O	ZINC000587475825	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1	ZINC000587475871	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1	ZINC000587475872	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCC13CCN(C(=O)OC(C)(C)C)CC3)CC2=O	ZINC000587475898	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC13CCN(C(=O)OC(C)(C)C)CC3)CC2=O	ZINC000587475900	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(C(OC)OC)oc3ccc(O)cc13)CC2=O	ZINC000587475983	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(C(OC)OC)oc3ccc(O)cc13)CC2=O	ZINC000587475986	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(OC)ccc1O)CC2=O	ZINC000587476170	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(OC)ccc1O)CC2=O	ZINC000587476172	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)OC(C)C)c3ccccc13)CC2=O	ZINC000587476197	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)OC(C)C)c3ccccc13)CC2=O	ZINC000587476199	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(C(=O)OC(C)(C)C)c1C)CC2=O	ZINC000587476270	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(C(=O)OC(C)(C)C)c1C)CC2=O	ZINC000587476274	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCCN(C(=O)OCc3ccccc3)C1)CC2=O	ZINC000587476560	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCCN(C(=O)OCc3ccccc3)C1)CC2=O	ZINC000587476563	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H]([C@H]1CCCN(C(=O)OCc3ccccc3)C1)CC2=O	ZINC000587476566	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCCN(C(=O)OCc3ccccc3)C1)CC2=O	ZINC000587476568	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3occc3C(=O)O)cc1)CC2=O	ZINC000587476619	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3occc3C(=O)O)cc1)CC2=O	ZINC000587476623	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(CN3CCCC3)c1)CC2=O	ZINC000587476639	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(CN3CCCC3)c1)CC2=O	ZINC000587476640	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc3c(c1)CCCC3)CC2=O	ZINC000587476712	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc3c(c1)CCCC3)CC2=O	ZINC000587476713	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cc1ccccc1C)C(=O)OCC)CC2=O	ZINC000587476925	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cc1ccccc1C)C(=O)OCC)CC2=O	ZINC000587476928	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cc1ccccc1C)C(=O)OCC)CC2=O	ZINC000587476930	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)([C@H](Cc1ccccc1C)C(=O)OCC)CC2=O	ZINC000587476933	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CCC(C(=O)OC)(c3ccccc3)CC1)CC2=O	ZINC000587476973	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(Cc3ccc(OC)cc3)c1C)CC2=O	ZINC000587477106	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(Cc3ccc(OC)cc3)c1C)CC2=O	ZINC000587477107	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](C1(C)CCN(C(=O)OC(C)(C)C)CC1)CC2=O	ZINC000587477207	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](C1(C)CCN(C(=O)OC(C)(C)C)CC1)CC2=O	ZINC000587477208	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](CC)C1)CC2=O	ZINC000587477330	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](CC)C1)CC2=O	ZINC000587477331	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](CC)C1)CC2=O	ZINC000587477332	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](CC)C1)CC2=O	ZINC000587477334	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000587477426	HJ	Annotated	Anodyne	
C=CN1CCCC[C@H]([C@]2(c3ccccc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O	ZINC000587477456	HJ	Annotated	Anodyne	
C=CN1CCCC[C@H]([C@@]2(c3ccccc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O	ZINC000587477459	HJ	Annotated	Anodyne	
C=CN1CCCC[C@@H]([C@]2(c3ccccc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O	ZINC000587477462	HJ	Annotated	Anodyne	
C=CN1CCCC[C@@H]([C@@]2(c3ccccc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O	ZINC000587477464	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cn(CCOC)c3ccc(OC)cc13)CC2=O	ZINC000587477918	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cn(CCOC)c3ccc(OC)cc13)CC2=O	ZINC000587477919	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C1)CC2=O	ZINC000587478016	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C1)CC2=O	ZINC000587478018	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1ccc(C(=O)O)o1)CC2=O	ZINC000587478062	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1ccc(C(=O)O)o1)CC2=O	ZINC000587478063	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCCN(C(=O)OC(C)(C)C)CC1)CC2=O	ZINC000587478080	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCCCN(C(=O)OC(C)(C)C)CC1)CC2=O	ZINC000587478082	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1cccc3ccccc13)CC2=O	ZINC000587478137	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1cccc3ccccc13)CC2=O	ZINC000587478149	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)[C@H](C)C1)CC2=O	ZINC000587478210	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)[C@@H](C)C1)CC2=O	ZINC000587478214	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)[C@H](C)C1)CC2=O	ZINC000587478219	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)[C@@H](C)C1)CC2=O	ZINC000587478221	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccc(C(=O)O)cc1)(c1cccc(O)c1)CC2=O	ZINC000587478279	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccc(C(=O)O)cc1)(c1cccc(O)c1)CC2=O	ZINC000587478331	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1CCCOCCOC)CC2=O	ZINC000587478410	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1CCCOCCOC)CC2=O	ZINC000587478424	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1	ZINC000587478425	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000587478450	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000587478456	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C(C)(C)C1)CC2=O	ZINC000587478463	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C(C)(C)C1)CC2=O	ZINC000587478468	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(CCC(=O)c1ccccc1)CC2=O	ZINC000587478853	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(CCC(=O)c1ccccc1)CC2=O	ZINC000587478856	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc(CC(=O)O)c1)CC2=O	ZINC000587478857	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc(CC(=O)O)c1)CC2=O	ZINC000587478859	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)CC2=O	ZINC000587478907	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)CC2=O	ZINC000587478910	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]3[C@H]1CCN3C(=O)OC(C)(C)C)CC2=O	ZINC000587478913	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3[C@H]1CCN3C(=O)OC(C)(C)C)CC2=O	ZINC000587478914	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C(=O)C(=O)c1ccccc1)(c1ccccc1)CC2=O	ZINC000587479207	HJ	Annotated	Clean	
CCCc1c(O)ccc2c1O[C@](C(=O)C(=O)c1ccccc1)(c1ccccc1)CC2=O	ZINC000587479213	HJ	Annotated	Clean	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](CC=C(C)C)C(=O)c2ccccc21	ZINC000587479298	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](CC=C(C)C)C(=O)c2ccccc21	ZINC000587479300	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](CC=C(C)C)C(=O)c2ccccc21	ZINC000587479302	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](CC=C(C)C)C(=O)c2ccccc21	ZINC000587479305	HJ	Annotated	Anodyne	
CCCOc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc(O)c(CCC)c3O2)cc1	ZINC000587479312	HJ	Annotated	Anodyne	
CCCOc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc(O)c(CCC)c3O2)cc1	ZINC000587479313	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](C(C)(C)C1=CC(=O)c3ccccc3C1=O)CC2=O	ZINC000587479476	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(C(=O)O)o3)cc1)CC2=O	ZINC000587479500	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(C(=O)O)o3)cc1)CC2=O	ZINC000587479503	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](C(C)(C)C1=CC(=O)c3ccccc3C1=O)CC2=O	ZINC000587479510	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@](C)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O	ZINC000587479512	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O	ZINC000587479514	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O	ZINC000587479518	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O	ZINC000587479521	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cccc3ccccc13)CC2=O	ZINC000587479770	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cccc3ccccc13)CC2=O	ZINC000587479775	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(C(=O)OC)o1)CC2=O	ZINC000587479869	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(C(=O)OC)o1)CC2=O	ZINC000587479885	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC(C)(C)C1	ZINC000587479920	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC(C)(C)C1	ZINC000587479923	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1C(=O)O)CC2=O	ZINC000587479939	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1C(=O)O)CC2=O	ZINC000587479942	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccccc1OC)([C@@H]1CCC[C@H]1C(=O)O)CC2=O	ZINC000587479966	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccccc1OC)([C@@H]1CCC[C@H]1C(=O)O)CC2=O	ZINC000587479977	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(OCC)cc1)CC2=O	ZINC000587480057	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(OCC)cc1)CC2=O	ZINC000587480067	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2c(C(=O)O)cccc21	ZINC000587480080	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2c(C(=O)O)cccc21	ZINC000587480088	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccccc1O[C@H](CC)C(=O)OCC)CC2=O	ZINC000587480573	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccccc1O[C@H](CC)C(=O)OCC)CC2=O	ZINC000587480575	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccccc1O[C@@H](CC)C(=O)OCC)CC2=O	ZINC000587480576	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccccc1O[C@@H](CC)C(=O)OCC)CC2=O	ZINC000587480577	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc3c2N(CCC3)C(=O)[C@@H]1CCC	ZINC000587480590	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc3c2N(CCC3)C(=O)[C@H]1CCC	ZINC000587480594	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc3c2N(CCC3)C(=O)[C@H]1CCC	ZINC000587480596	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc3c2N(CCC3)C(=O)[C@@H]1CCC	ZINC000587480597	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](C(=O)OCC)CC[C@H]1c1ccccc1	ZINC000587480697	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](C(=O)OCC)CC[C@@H]1c1ccccc1	ZINC000587480701	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](c2ccccc2)CC[C@H]1C(=O)OCC	ZINC000587480705	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C(=O)OCC)CC[C@@H]1c1ccccc1	ZINC000587480708	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(=O)c(OCc3ccccc3)co1)CC2=O	ZINC000587480894	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(=O)c(OCc3ccccc3)co1)CC2=O	ZINC000587480899	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(CCCCN1C(=O)c3ccccc3C1=O)CC2=O	ZINC000587481038	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(CCCCN1C(=O)c3ccccc3C1=O)CC2=O	ZINC000587481039	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc(OC)c(OC)c(OC)c31)CC2=O	ZINC000587481162	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCCc3cc(OC)c(OC)c(OC)c31)CC2=O	ZINC000587481163	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCCCC(=O)O)(c1ccc(OC)cc1)CC2=O	ZINC000587481234	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCCCC(=O)O)(c1ccc(OC)cc1)CC2=O	ZINC000587481235	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCCOC)c(OCC)c1)CC2=O	ZINC000587481346	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCCOC)c(OCC)c1)CC2=O	ZINC000587481349	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccccc1OCC)CC2=O	ZINC000587481602	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccccc1OCC)CC2=O	ZINC000587481604	HJ	Annotated	Anodyne	
CC/C=C\C[C@@H]1[C@H](CC(=O)OC)CC[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2	ZINC000587481636	HJ	Annotated	Anodyne	
CC/C=C/C[C@@H]1[C@H](CC(=O)OC)CC[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2	ZINC000587481639	HJ	Annotated	Anodyne	
CC/C=C\C[C@@H]1[C@H](CC(=O)OC)CC[C@]12CC(=O)c1ccc(O)c(CCC)c1O2	ZINC000587481642	HJ	Annotated	Anodyne	
CC/C=C/C[C@@H]1[C@H](CC(=O)OC)CC[C@]12CC(=O)c1ccc(O)c(CCC)c1O2	ZINC000587481645	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(OCC)c(C)c1)CC2=O	ZINC000587481688	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(OCC)c(C)c1)CC2=O	ZINC000587481691	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc4c(c3)C(=O)OC4)o1)CC2=O	ZINC000587481883	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc4c(c3)C(=O)OC4)o1)CC2=O	ZINC000587481885	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccc(O)cc1)(c1ccccc1C(=O)O)CC2=O	ZINC000587482153	HJ	Annotated	Anodyne	
C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@]4(C)CC(=O)c5ccc(O)c(CCC)c5O4)[C@@H]3C[C@H]12	ZINC000587482304	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@](C(=O)N(CC)CC)(c1c[nH]c3ccccc13)CC2=O	ZINC000587482366	HJ	Annotated	Anodyne	
C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@]4(C)CC(=O)c5ccc(O)c(CCC)c5O4)[C@@H]3C[C@H]12	ZINC000587482367	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@](C(=O)N(CC)CC)(c1c[nH]c3ccccc13)CC2=O	ZINC000587482396	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)cc1CCCOC)CC2=O	ZINC000587482399	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC)cc1CCCOC)CC2=O	ZINC000587482401	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1c[nH]c(C(=O)OC)c1)(C1CCCCC1)CC2=O	ZINC000587482499	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1c[nH]c(C(=O)OC)c1)(C1CCCCC1)CC2=O	ZINC000587482503	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CC2=O	ZINC000587482536	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CC2=O	ZINC000587482548	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CC2=O	ZINC000587482556	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CC2=O	ZINC000587482563	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCCC(=O)OCC)cc1)CC2=O	ZINC000587482624	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1c(C)[nH]c3ccccc13)CC2=O	ZINC000587482627	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCCC(=O)OCC)cc1)CC2=O	ZINC000587482630	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1c(C)[nH]c3ccccc13)CC2=O	ZINC000587482631	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)OC)ccc1OC(C)C)CC2=O	ZINC000587482801	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)OC)ccc1OC(C)C)CC2=O	ZINC000587482802	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCCc3cc(OC(C)(C)C(=O)O)ccc31)CC2=O	ZINC000587482906	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc(OC(C)(C)C(=O)O)ccc31)CC2=O	ZINC000587482908	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccc(O)cc1)(c1ccccc1C(=O)O)CC2=O	ZINC000587482937	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(O)cccc21	ZINC000587482944	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(O)cccc21	ZINC000587482945	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(O)cc21	ZINC000587482954	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(O)cc21	ZINC000587482955	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cccc(O)c21	ZINC000587482994	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cccc(O)c21	ZINC000587482996	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(O)ccc21	ZINC000587483012	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(O)ccc21	ZINC000587483014	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c3oc(C(=O)OC)cc13)CC2=O	ZINC000587483025	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c3oc(C(=O)OC)cc13)CC2=O	ZINC000587483026	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCCC(=O)OC)(c1ccc(OC)cc1)CC2=O	ZINC000587483087	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCCC(=O)OC)(c1ccc(OC)cc1)CC2=O	ZINC000587483088	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(OC)cc1O)CC2=O	ZINC000587483097	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(OC)cc1O)CC2=O	ZINC000587483099	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nn3c4ccccc4n(C)c13)CC2=O	ZINC000587483234	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nn3c4ccccc4n(C)c13)CC2=O	ZINC000587483238	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCCC(=O)O)(c1ccc(OCC)cc1)CC2=O	ZINC000587483320	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCCC(=O)O)(c1ccc(OCC)cc1)CC2=O	ZINC000587483324	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccc(OC(C)C)cc1)CC2=O	ZINC000587483639	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccc(OC(C)C)cc1)CC2=O	ZINC000587483650	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](C1(c3ccccc3)CCC3(CC1)OCCO3)CC2=O	ZINC000587483723	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](C1(c3ccccc3)CCC3(CC1)OCCO3)CC2=O	ZINC000587483725	HJ	Annotated	Anodyne	
CCCCS(=O)(=O)c1cccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1	ZINC000587483736	HJ	Annotated	Anodyne	
CCCCS(=O)(=O)c1cccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1	ZINC000587483747	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3occc3C(=O)O)c1)CC2=O	ZINC000587484108	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3occc3C(=O)O)c1)CC2=O	ZINC000587484110	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3ccco3)c(OC)c1)CC2=O	ZINC000587484194	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3ccco3)c(OC)c1)CC2=O	ZINC000587484195	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccccc1O)(c1ccc(OC)cc1O)CC2=O	ZINC000587484199	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccccc1O)(c1ccc(OC)cc1O)CC2=O	ZINC000587484205	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1c[nH]c3ccccc13)CC2=O	ZINC000587484405	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1c[nH]c3ccccc13)CC2=O	ZINC000587484406	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC(OCC)OCC)CC2=O	ZINC000587484492	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC(OCC)OCC)CC2=O	ZINC000587484539	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cc1cccc(C)c1)C(=O)OCC)CC2=O	ZINC000587484650	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cc1cccc(C)c1)C(=O)OCC)CC2=O	ZINC000587484652	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cc1cccc(C)c1)C(=O)OCC)CC2=O	ZINC000587484653	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)([C@H](Cc1cccc(C)c1)C(=O)OCC)CC2=O	ZINC000587484655	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(OCC(=O)O)ccc3ccccc13)CC2=O	ZINC000587484718	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(OCC(=O)O)ccc3ccccc13)CC2=O	ZINC000587484721	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc3[nH]c(=N)[nH]c3c1)CC2=O	ZINC000587484838	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc3[nH]c(=N)[nH]c3c1)CC2=O	ZINC000587484843	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)/C(=C\c2ccccc2OC)N2CCC1CC2	ZINC000587485136	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)/C(=C\c2ccccc2OC)N2CCC1CC2	ZINC000587485147	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)/C(=C/c2ccccc2OC)N2CCC1CC2	ZINC000587485149	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)/C(=C/c2ccccc2OC)N2CCC1CC2	ZINC000587485152	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(C)(C)C(=O)O)(c1ccc(OC)cc1)CC2=O	ZINC000587485172	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(C)(C)C(=O)O)(c1ccc(OC)cc1)CC2=O	ZINC000587485174	HJ	Annotated	Anodyne	
CCCCS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1	ZINC000587485180	HJ	Annotated	Anodyne	
CCCCS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1	ZINC000587485182	HJ	Annotated	Anodyne	
C=C1CC([C@]2(CCCCC3OCCO3)CC(=O)c3ccc(O)c(CCC)c3O2)C1	ZINC000587485568	HJ	Annotated	Mild	
C=C1CC([C@@]2(CCCCC3OCCO3)CC(=O)c3ccc(O)c(CCC)c3O2)C1	ZINC000587485571	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2ccccc2)c2ccccc21	ZINC000587485581	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2ccccc2)c2ccccc21	ZINC000587485584	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(O)ccc2Oc2cccc(O)c21	ZINC000587485594	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(O)ccc2Oc2cccc(O)c21	ZINC000587485596	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C1)CC2=O	ZINC000587485701	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(O[C@@H](C)C(=O)O)cc1)CC2=O	ZINC000587485703	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C1)CC2=O	ZINC000587485704	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(O[C@H](C)C(=O)O)cc1)CC2=O	ZINC000587485706	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C1)CC2=O	ZINC000587485707	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(O[C@@H](C)C(=O)O)cc1)CC2=O	ZINC000587485708	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(O[C@H](C)C(=O)O)cc1)CC2=O	ZINC000587485709	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3CN(Cc4ccccc4)C[C@H]3C1)CC2=O	ZINC000587485710	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@H]1CN2c1ccc(OC)cc1	ZINC000587485759	HJ	Annotated	Clean	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@H]1CN2c1ccc(OC)cc1	ZINC000587485762	HJ	Annotated	Clean	
CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1c1cc(C(=O)OC)ccn1)CC2=O	ZINC000587485793	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1c1cc(C(=O)OC)ccn1)CC2=O	ZINC000587485796	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1c1cc(C(=O)OC)ccn1)CC2=O	ZINC000587485797	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1c1cc(C(=O)OC)ccn1)CC2=O	ZINC000587485800	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)CC2(CCCN(C(=O)OC(C)(C)C)C2)C1	ZINC000587485824	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccccc2)Oc2ccccc21	ZINC000587485878	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccccc2)Oc2ccccc21	ZINC000587485879	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccccc2)Oc2ccccc21	ZINC000587485880	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c[nH]c(C(=O)O)c1)CC2=O	ZINC000587486145	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c[nH]c(C(=O)O)c1)CC2=O	ZINC000587486150	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cc1ccc(C)cc1)C(=O)OCC)CC2=O	ZINC000587486163	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cc1ccc(C)cc1)C(=O)OCC)CC2=O	ZINC000587486167	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cc1ccc(C)cc1)C(=O)OCC)CC2=O	ZINC000587486170	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)([C@H](Cc1ccc(C)cc1)C(=O)OCC)CC2=O	ZINC000587486173	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccc(OCOC)cc1)(c1cccnc1)CC2=O	ZINC000587486259	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccc(OCOC)cc1)(c1cccnc1)CC2=O	ZINC000587486264	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3ccc(C(=O)O)o3)c1)CC2=O	ZINC000587486293	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3ccc(C(=O)O)o3)c1)CC2=O	ZINC000587486297	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccccc2)Oc2ccccc21	ZINC000587486301	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(Cc1cc(C)cc(C)c1)CC2=O	ZINC000587486318	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(Cc1cc(C)cc(C)c1)CC2=O	ZINC000587486330	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc3ccccc3c1)CC2=O	ZINC000587486356	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc3ccccc3c1)CC2=O	ZINC000587486359	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)OCC)[nH]c3ccc(OC)cc13)CC2=O	ZINC000587486485	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)OCC)[nH]c3ccc(OC)cc13)CC2=O	ZINC000587486491	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1cccnc1)(C(C)(C)c1cccnc1)CC2=O	ZINC000587486538	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(C(C)(C)c1cccnc1)CC2=O	ZINC000587486539	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2Oc2cc(O)cc(O)c21	ZINC000587486674	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2Oc2cc(O)cc(O)c21	ZINC000587486676	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccnc3C(=O)O)cc1)CC2=O	ZINC000587486815	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccnc3C(=O)O)cc1)CC2=O	ZINC000587486816	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(=O)n(Cc3ccc(C)cc3)c1)CC2=O	ZINC000587486824	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(=O)n(Cc3ccc(C)cc3)c1)CC2=O	ZINC000587486825	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cncc(C(=O)OC)c3)cc1)CC2=O	ZINC000587487110	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cncc(C(=O)OC)c3)cc1)CC2=O	ZINC000587487114	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1cccc(OCOC)c1)(c1ccccn1)CC2=O	ZINC000587487158	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1cccc(OCOC)c1)(c1ccccn1)CC2=O	ZINC000587487161	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccccn1)(c1ccccc1OCOC)CC2=O	ZINC000587487247	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccccn1)(c1ccccc1OCOC)CC2=O	ZINC000587487253	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)O)c(O)c3)o1)CC2=O	ZINC000587487382	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)O)c(O)c3)o1)CC2=O	ZINC000587487387	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1CC=CC[C@@H]1C(=O)O)CC2=O	ZINC000587487570	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1CC=CC[C@H]1C(=O)O)CC2=O	ZINC000587487582	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1CC=CC[C@H]1C(=O)O)CC2=O	ZINC000587487588	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1CC=CC[C@@H]1C(=O)O)CC2=O	ZINC000587487590	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cnn(C)c3)cc3ccccn13)CC2=O	ZINC000587487715	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(-c3cnn(C)c3)cc3ccccn13)CC2=O	ZINC000587487719	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ncc(-c3ccco3)[nH]1)(c1ccco1)CC2=O	ZINC000587487848	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ncc(-c3ccco3)[nH]1)(c1ccco1)CC2=O	ZINC000587487850	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](Cc1ccccn1)(c1ccc(C(=O)O)cc1)CC2=O	ZINC000587488064	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](Cc1ccccn1)(c1ccc(C(=O)O)cc1)CC2=O	ZINC000587488068	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccccc2)Nc2ccccc21	ZINC000587488215	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccccc2)Nc2ccccc21	ZINC000587488225	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccccc2)Nc2ccccc21	ZINC000587488230	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccccc2)Nc2ccccc21	ZINC000587488234	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CCC(C(=O)OCC)(c3ccncc3)CC1)CC2=O	ZINC000587488369	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cccnc1-c1ccc(C(=O)OC)cc1)CC2=O	ZINC000587488579	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccnc1-c1ccc(C(=O)OC)cc1)CC2=O	ZINC000587488580	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3CC[C@H]1N3C(=O)OC(C)(C)C)CC2=O	ZINC000587488591	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3CC[C@H]1N3C(=O)OC(C)(C)C)CC2=O	ZINC000587488592	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(CCC(=O)OC)n3ccccc13)CC2=O	ZINC000587488601	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(C)c(CCC(=O)OC)n3ccccc13)CC2=O	ZINC000587488602	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2	ZINC000587488609	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC(C(=O)c1ccccc1)(C(=O)c1ccccc1)CC2=O	ZINC000587488674	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nc3ccccc3c1C(=O)O)CC2=O	ZINC000587488749	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nc3ccccc3c1C(=O)O)CC2=O	ZINC000587488750	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1ccc3c(c1)CCO3)CC2=O	ZINC000587488827	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1ccc3c(c1)CCO3)CC2=O	ZINC000587488829	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCl)(CP(=O)(OCC)OCC)CC2=O	ZINC000587488858	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCl)(CP(=O)(OCC)OCC)CC2=O	ZINC000587488859	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1cccc(OCOC)c1)CC2=O	ZINC000587488898	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1cccc(OCOC)c1)CC2=O	ZINC000587488899	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)CCC(C)C)cc1)CC2=O	ZINC000587488908	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)CCC(C)C)cc1)CC2=O	ZINC000587488909	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccc(-c3ccccc3)cc1)CC2=O	ZINC000587488968	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccc(-c3ccccc3)cc1)CC2=O	ZINC000587488970	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc(C(=O)O)c1)CC2=O	ZINC000587489072	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc(C(=O)O)c1)CC2=O	ZINC000587489073	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000587489141	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3cccc(C(=O)OC)c3)n1)CC2=O	ZINC000587489151	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3cccc(C(=O)OC)c3)n1)CC2=O	ZINC000587489154	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)OC)cc3)nc1)CC2=O	ZINC000587489278	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)OC)cc3)nc1)CC2=O	ZINC000587489279	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)/C(=C\c2cccnc2)Oc2cc(O)ccc21	ZINC000587489376	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)/C(=C\c2cccnc2)Oc2cc(O)ccc21	ZINC000587489377	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccc(C3CCCCC3)cc1)(C(O)O)CC2=O	ZINC000587489387	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccc(C3CCCCC3)cc1)(C(O)O)CC2=O	ZINC000587489388	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](Cc1cccnc1)(c1ccc(OC)cc1)CC2=O	ZINC000587489570	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](Cc1cccnc1)(c1ccc(OC)cc1)CC2=O	ZINC000587489573	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2ccc(C(=O)O)cc21	ZINC000587489576	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2ccc(C(=O)O)cc21	ZINC000587489581	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC)(c1cccc(S(=O)(=O)Cl)c1)CC2=O	ZINC000587489756	HJ	Annotated	Unstable	
CCCc1c(O)ccc2c1O[C@@](CC)(c1cccc(S(=O)(=O)Cl)c1)CC2=O	ZINC000587489761	HJ	Annotated	Unstable	
CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccc(C(=O)OC)cc3)n1)CC2=O	ZINC000587489764	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccc(C(=O)OC)cc3)n1)CC2=O	ZINC000587489769	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H]2C[C@@H](CN(C(=O)OC(C)(C)C)C2)C1	ZINC000587489802	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(C(=O)O)cc1)CC2=O	ZINC000587489803	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(C(=O)O)cc1)CC2=O	ZINC000587489806	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccc(S(=O)(=O)Cl)cc1)(C(C)C)CC2=O	ZINC000587489826	HJ	Annotated	Unstable	
CCCc1c(O)ccc2c1O[C@@](c1ccc(S(=O)(=O)Cl)cc1)(C(C)C)CC2=O	ZINC000587489829	HJ	Annotated	Unstable	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)CC2=O	ZINC000587489944	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2=O	ZINC000587489945	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)c3ccccc3)cc1)CC2=O	ZINC000587490217	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)c3ccccc3)cc1)CC2=O	ZINC000587490221	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1cc(Cl)sc1Cl)CC2=O	ZINC000587490374	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1cc(Cl)sc1Cl)CC2=O	ZINC000587490378	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3CN(Cc4ccccc4)C[C@H]31)CC2=O	ZINC000587490479	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2=O	ZINC000587490484	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C	ZINC000587490597	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000587490598	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C	ZINC000587490599	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C	ZINC000587490600	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C1)CC2=O	ZINC000587490617	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C1)CC2=O	ZINC000587490618	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C1)CC2=O	ZINC000587490619	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(P(=O)(OCC)OCC)cc1)CC2=O	ZINC000587490763	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(P(=O)(OCC)OCC)cc1)CC2=O	ZINC000587490767	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc3c(c1)CCCC3)CC2=O	ZINC000587490871	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc3c(c1)CCCC3)CC2=O	ZINC000587490873	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3cccnc3)cc1)CC2=O	ZINC000587490895	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3cccnc3)cc1)CC2=O	ZINC000587490906	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H]2CC3(C[C@@H]2C1)OCC(C)(C)CO3	ZINC000587491023	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CC3(C[C@H]2C1)OCC(C)(C)CO3	ZINC000587491026	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1ccccc1OCOC)CC2=O	ZINC000587491030	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC3(C[C@H]2C1)OCC(C)(C)CO3	ZINC000587491032	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1ccccc1OCOC)CC2=O	ZINC000587491033	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1cccc(OCOC)c1)CC2=O	ZINC000587491503	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1cccc(OCOC)c1)CC2=O	ZINC000587491504	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)c2ccc(O)cc2Oc2cc(O)ccc21	ZINC000587491605	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CSCC(=O)O)(c1ccc(Cl)cc1)CC2=O	ZINC000587491814	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CSCC(=O)O)(c1ccc(Cl)cc1)CC2=O	ZINC000587491823	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(CCc1c(C)[nH]c3ccccc3c1=O)CC2=O	ZINC000587492002	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(CCc1c(C)[nH]c3ccccc3c1=O)CC2=O	ZINC000587492003	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccc(OCOC)cc1)(c1ccccn1)CC2=O	ZINC000587492083	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccc(OCOC)cc1)(c1ccccn1)CC2=O	ZINC000587492084	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cnc(SC)nc1Nc1ccccc1)CC2=O	ZINC000587492200	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cnc(SC)nc1Nc1ccccc1)CC2=O	ZINC000587492201	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1nc(-c3ccc4c(c3)OCO4)cs1)CC2=O	ZINC000587492534	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3ccc4c(c3)OCO4)cs1)CC2=O	ZINC000587492535	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1ccccc1OCOC)CC2=O	ZINC000587492867	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1ccccc1OCOC)CC2=O	ZINC000587492869	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2cccc(C(=O)O)c21	ZINC000587492916	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2cccc(C(=O)O)c21	ZINC000587492922	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1ccc(OCOC)cc1)CC2=O	ZINC000587492961	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1ccc(OCOC)cc1)CC2=O	ZINC000587492962	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1sc(N3CCCCC3)nc1OC)CC2=O	ZINC000587493033	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1sc(N3CCCCC3)nc1OC)CC2=O	ZINC000587493035	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccc(SC)cc1)(c1[nH]c(O)nc1C)CC2=O	ZINC000587493111	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccc(SC)cc1)(c1[nH]c(O)nc1C)CC2=O	ZINC000587493112	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1cnc(N3CCCCC3)s1)CC2=O	ZINC000587493287	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CCl)(c1cnc(N3CCCCC3)s1)CC2=O	ZINC000587493288	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@H](c1csc(NC(=O)OC(C)(C)C)n1)CC2=O	ZINC000587493310	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1csc(NC(=O)OC(C)(C)C)n1)CC2=O	ZINC000587493311	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(Br)sc31)CC2=O	ZINC000587493314	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(Br)sc31)CC2=O	ZINC000587493318	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cn(CCC#N)nc1-c1cccs1)CC2=O	ZINC000587493329	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@H](c1cn(CCC#N)nc1-c1cccs1)CC2=O	ZINC000587493330	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C#N)s1)CC2=O	ZINC000587493331	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C#N)s1)CC2=O	ZINC000587493332	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(Cl)s1)CC2=O	ZINC000587493404	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(Cl)s1)CC2=O	ZINC000587493405	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccsc2CC[C@@H]1Br	ZINC000587493889	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccsc2CC[C@H]1Br	ZINC000587493890	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccsc2CC[C@H]1Br	ZINC000587493892	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccsc2CC[C@@H]1Br	ZINC000587493894	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2ccccc2)Cc2nc(N)sc21	ZINC000587494023	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccccc2)Cc2nc(N)sc21	ZINC000587494026	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccccc2)Cc2nc(N)sc21	ZINC000587494027	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](c2ccccc2)Cc2nc(N)sc21	ZINC000587494028	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1cnc(N)s1)(c1ccccc1Cl)CC2=O	ZINC000587494035	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1cnc(N)s1)(c1ccccc1Cl)CC2=O	ZINC000587494036	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](/C=C1/SCC(=O)N1C)(c1ccccc1C)CC2=O	ZINC000587494111	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](/C=C1/SCC(=O)N1C)(c1ccccc1C)CC2=O	ZINC000587494114	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2cc(Br)cc([N+](=O)[O-])c2O)Oc2c1ccc1c2CCCC1	ZINC000587494762	HJ	Annotated	Bother	
O=C1C[C@H](c2cc(Br)cc([N+](=O)[O-])c2O)Oc2c1ccc1c2CCCC1	ZINC000587494763	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccc(Br)s1)CC2=O	ZINC000587494851	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccc(Br)s1)CC2=O	ZINC000587494853	HJ	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(CCC(=O)c1cccs1)CC2=O	ZINC000587494892	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2cc(Br)c3c(c2)OCO3)Oc2c1ccc1c2CCCC1	ZINC000587494894	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(CCC(=O)c1cccs1)CC2=O	ZINC000587494896	HJ	Annotated	Anodyne	
O=C1C[C@H](c2cc(Br)c3c(c2)OCO3)Oc2c1ccc1c2CCCC1	ZINC000587494898	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1c(N)sc3c1CCC3)CC2=O	ZINC000587494969	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1c(N)sc3c1CCC3)CC2=O	ZINC000587494974	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1	ZINC000587495036	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1	ZINC000587495044	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587495075	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587495080	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccc(CNC(C)=O)s1)([C@@H](C)Cl)CC2=O	ZINC000587495336	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](c1ccc(CNC(C)=O)s1)([C@H](C)Cl)CC2=O	ZINC000587495337	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](c1ccc(CNC(C)=O)s1)([C@H](C)Cl)CC2=O	ZINC000587495338	HJ	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](c1ccc(CNC(C)=O)s1)([C@@H](C)Cl)CC2=O	ZINC000587495339	HJ	Annotated	Reactive	
Cc1ccn2c(Br)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc2c1	ZINC000587495402	HJ	Annotated	Anodyne	
Cc1ccn2c(Br)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc2c1	ZINC000587495408	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cnc3sc(C(=O)OC)c(C)c3c1)CC2=O	ZINC000587495409	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cnc3sc(C(=O)OC)c(C)c3c1)CC2=O	ZINC000587495419	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccc(Br)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1	ZINC000587495446	HJ	Annotated	Bother	
O=C1C[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1	ZINC000587495449	HJ	Annotated	Bother	
O=C1C[C@@H](c2c(Br)ccc3c2OCO3)Oc2c1ccc1c2CCCC1	ZINC000587495539	HJ	Annotated	Anodyne	
O=C1C[C@H](c2c(Br)ccc3c2OCO3)Oc2c1ccc1c2CCCC1	ZINC000587495541	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2cccc([N+](=O)[O-])c2Br)Oc2c1ccc1c2CCCC1	ZINC000587495676	HJ	Annotated	Bother	
O=C1C[C@H](c2cccc([N+](=O)[O-])c2Br)Oc2c1ccc1c2CCCC1	ZINC000587495679	HJ	Annotated	Bother	
O=C1C[C@H](c2cc(Br)c3c(c2)OCCO3)Oc2c1ccc1c2CCCC1	ZINC000587495842	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2cc(Br)c3c(c2)OCCO3)Oc2c1ccc1c2CCCC1	ZINC000587495844	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nsc1NC(=O)OCC)CC2=O	ZINC000587495911	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nsc1NC(=O)OCC)CC2=O	ZINC000587495918	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1c(N)sc3c1CCC3)CC2=O	ZINC000587495930	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1c(N)sc3c1CCC3)CC2=O	ZINC000587495932	HJ	Annotated	Anodyne	
O=C1C[C@H](c2cc(Br)ccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1	ZINC000587496042	HJ	Annotated	Bother	
O=C1C[C@@H](c2cc(Br)ccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1	ZINC000587496045	HJ	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@](c1ccccn1)(c1c(N)sc3c1CCC3)CC2=O	ZINC000587496090	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccccn1)(c1c(N)sc3c1CCC3)CC2=O	ZINC000587496092	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccc(Br)cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1	ZINC000587496119	HJ	Annotated	Bother	
O=C1C[C@@H](c2ccc(Br)cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1	ZINC000587496122	HJ	Annotated	Bother	
COC(=O)c1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587496139	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587496141	HJ	Annotated	Anodyne	
O=C(O)c1cc(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587496182	HJ	Annotated	Anodyne	
O=C(O)c1cc(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587496184	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](CC(F)(F)F)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587496246	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](CC(F)(F)F)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587496247	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](CC(F)(F)F)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587496248	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](CC(F)(F)F)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587496249	HJ	Annotated	Anodyne	
O=C1C[C@@](CCl)(c2ccc(N3CCOC3=O)cc2)Oc2c1ccc1c2CCCC1	ZINC000587496369	HJ	Annotated	Reactive	
O=C1C[C@](CCl)(c2ccc(N3CCOC3=O)cc2)Oc2c1ccc1c2CCCC1	ZINC000587496379	HJ	Annotated	Reactive	
O=C1C[C@](CBr)(C(F)(F)C(F)(F)F)Oc2c1ccc1c2CCCC1	ZINC000587496400	HJ	Annotated	Reactive	
O=C1C[C@@](CBr)(C(F)(F)C(F)(F)F)Oc2c1ccc1c2CCCC1	ZINC000587496407	HJ	Annotated	Reactive	
CC(=O)N1CCc2cc([C@@]3([C@@H](C)Cl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21	ZINC000587496444	HJ	Annotated	Reactive	
CC(=O)N1CCc2cc([C@@]3([C@H](C)Cl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21	ZINC000587496447	HJ	Annotated	Reactive	
CC(=O)N1CCc2cc([C@]3([C@H](C)Cl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21	ZINC000587496451	HJ	Annotated	Reactive	
CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21	ZINC000587496452	HJ	Annotated	Reactive	
COC(=O)c1c(C)[nH]c([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C	ZINC000587496507	HJ	Annotated	Reactive	
COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C	ZINC000587496510	HJ	Annotated	Reactive	
COC(=O)c1c(C)[nH]c([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C	ZINC000587496512	HJ	Annotated	Reactive	
COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C	ZINC000587496513	HJ	Annotated	Reactive	
CCC(=O)N1CCc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21	ZINC000587496559	HJ	Annotated	Reactive	
CCC(=O)N1CCc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21	ZINC000587496569	HJ	Annotated	Reactive	
Cc1cc2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2cc1Br	ZINC000587496629	HJ	Annotated	Anodyne	
Cc1cc2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2cc1Br	ZINC000587496632	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CN)(c1nc(-c3ccccc3)c(C)s1)CC2=O	ZINC000587496672	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CN)(c1nc(-c3ccccc3)c(C)s1)CC2=O	ZINC000587496673	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cnc(NC(=O)OC(C)(C)C)s1)CC2=O	ZINC000587496781	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cnc(NC(=O)OC(C)(C)C)s1)CC2=O	ZINC000587496782	HJ	Annotated	Anodyne	
CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Cl)cc(Cl)c21	ZINC000587496896	HJ	Annotated	Anodyne	
CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Cl)cc(Cl)c21	ZINC000587496898	HJ	Annotated	Anodyne	
Cc1cccn2c(Br)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc12	ZINC000587497239	HJ	Annotated	Anodyne	
Cc1cccn2c(Br)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc12	ZINC000587497240	HJ	Annotated	Anodyne	
Cc1cccc2nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(Br)n12	ZINC000587497241	HJ	Annotated	Anodyne	
Cc1cccc2nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(Br)n12	ZINC000587497242	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1csc(-c3ccc4c(c3)OCO4)n1)CC2=O	ZINC000587497314	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1csc(-c3ccc4c(c3)OCO4)n1)CC2=O	ZINC000587497316	HJ	Annotated	Anodyne	
COc1cc(Br)c(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587497349	HJ	Annotated	Anodyne	
COc1cc(Br)c(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587497351	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)c3nsnc13)CC2=O	ZINC000587497358	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)c3nsnc13)CC2=O	ZINC000587497359	HJ	Annotated	Anodyne	
O=C1C[C@](CBr)(c2c[nH]c3ncccc23)Oc2c1ccc1c2CCCC1	ZINC000587497379	HJ	Annotated	Reactive	
O=C1C[C@@](CBr)(c2c[nH]c3ncccc23)Oc2c1ccc1c2CCCC1	ZINC000587497382	HJ	Annotated	Reactive	
O=C(O)c1cccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587497417	HJ	Annotated	Reactive	
O=C(O)c1cccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587497425	HJ	Annotated	Reactive	
COc1cccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587497434	HJ	Annotated	Reactive	
COc1cccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587497439	HJ	Annotated	Reactive	
COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1O	ZINC000587497454	HJ	Annotated	Anodyne	
COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1O	ZINC000587497457	HJ	Annotated	Anodyne	
O=C(CBr)c1ccc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587497521	HJ	Annotated	Reactive	
O=C(CBr)c1ccc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587497523	HJ	Annotated	Reactive	
CCC(CC)(C(=O)OC)[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497544	HJ	Annotated	Reactive	
CCOC(=O)[C@]1([C@@H](C#N)c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497552	HJ	Annotated	Mild	
CCC(CC)(C(=O)OC)[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497556	HJ	Annotated	Reactive	
CCOC(=O)[C@]1([C@H](C#N)c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497558	HJ	Annotated	Mild	
CCOC(=O)[C@@]1([C@@H](C#N)c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497559	HJ	Annotated	Mild	
CCOC(=O)[C@@]1([C@H](C#N)c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497560	HJ	Annotated	Mild	
O=C1C[C@@H](c2cc([N+](=O)[O-])cc(Br)c2O)Oc2c1ccc1c2CCCC1	ZINC000587497601	HJ	Annotated	Bother	
O=C1C[C@H](c2cc([N+](=O)[O-])cc(Br)c2O)Oc2c1ccc1c2CCCC1	ZINC000587497602	HJ	Annotated	Bother	
COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(N)c1Br	ZINC000587497633	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497644	HJ	Annotated	Reactive	
COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(N)c1Br	ZINC000587497645	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CCC[C@H]1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497646	HJ	Annotated	Reactive	
CC(C)(C)OC(=O)N1CCC[C@H]1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497647	HJ	Annotated	Reactive	
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497648	HJ	Annotated	Reactive	
CC1(C)C(=O)Nc2ccc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc21	ZINC000587497667	HJ	Annotated	Reactive	
CC1(C)C(=O)Nc2ccc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc21	ZINC000587497668	HJ	Annotated	Reactive	
O=C1C[C@@]2(C[C@@H](NC(=O)C(F)(F)F)c3ccsc32)Oc2c1ccc1c2CCCC1	ZINC000587497707	HJ	Annotated	Anodyne	
O=C1C[C@@]2(C[C@H](NC(=O)C(F)(F)F)c3ccsc32)Oc2c1ccc1c2CCCC1	ZINC000587497708	HJ	Annotated	Anodyne	
O=C1C[C@]2(C[C@@H](NC(=O)C(F)(F)F)c3ccsc32)Oc2c1ccc1c2CCCC1	ZINC000587497709	HJ	Annotated	Anodyne	
O=C1C[C@]2(C[C@H](NC(=O)C(F)(F)F)c3ccsc32)Oc2c1ccc1c2CCCC1	ZINC000587497710	HJ	Annotated	Anodyne	
O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)C=Cc1cc(Br)ccc12	ZINC000587497728	HJ	Annotated	Mild	
O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)C=Cc1cc(Br)ccc12	ZINC000587497735	HJ	Annotated	Mild	
Cn1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21	ZINC000587497801	HJ	Annotated	Anodyne	
Cn1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21	ZINC000587497804	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2c(Cl)nc(N3CCCC3)nc2Cl)Oc2c1ccc1c2CCCC1	ZINC000587497807	HJ	Annotated	Anodyne	
O=C1C[C@H](c2c(Cl)nc(N3CCCC3)nc2Cl)Oc2c1ccc1c2CCCC1	ZINC000587497810	HJ	Annotated	Anodyne	
Cn1nc2ccc(Br)cc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497901	HJ	Annotated	Anodyne	
Cn1nc2ccc(Br)cc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497904	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3sc(C(=O)O)c(C)c3c1)CC2=O	ZINC000587497966	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cnc3sc(C(=O)O)c(C)c3c1)CC2=O	ZINC000587497974	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2cc(Br)c(O)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1	ZINC000587497989	HJ	Annotated	Bother	
O=C1C[C@H](c2cc(Br)c(O)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1	ZINC000587497992	HJ	Annotated	Bother	
CC(=O)N1c2ccc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc2C[C@H]1C	ZINC000587498023	HJ	Annotated	Reactive	
CC(=O)N1c2ccc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc2C[C@@H]1C	ZINC000587498027	HJ	Annotated	Reactive	
CC(=O)N1c2ccc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc2C[C@@H]1C	ZINC000587498033	HJ	Annotated	Reactive	
CC(=O)N1c2ccc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc2C[C@H]1C	ZINC000587498037	HJ	Annotated	Reactive	
Cc1nc2ccc(Br)cn2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498053	HJ	Annotated	Anodyne	
Cc1nc2ccc(Br)cn2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498057	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1nc(-c3ccc4c(c3)OCCO4)cs1)CC2=O	ZINC000587498084	HJ	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3ccc4c(c3)OCCO4)cs1)CC2=O	ZINC000587498088	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2c(Br)cccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1	ZINC000587498142	HJ	Annotated	Bother	
O=C1C[C@H](c2c(Br)cccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1	ZINC000587498144	HJ	Annotated	Bother	
COc1cc(Cl)ccc1NC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498276	HJ	Annotated	Anodyne	
COc1cc(Cl)ccc1NC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498277	HJ	Annotated	Anodyne	
Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1-c1cccc(Cl)c1	ZINC000587498282	HJ	Annotated	Anodyne	
Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1-c1cccc(Cl)c1	ZINC000587498283	HJ	Annotated	Anodyne	
COCCn1c(C)cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C	ZINC000587498331	HJ	Annotated	Reactive	
COCCn1c(C)cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C	ZINC000587498332	HJ	Annotated	Reactive	
CC(=O)N(C)Cc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587498335	HJ	Annotated	Reactive	
CC(=O)N(C)Cc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587498336	HJ	Annotated	Reactive	
COc1ccccc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498387	HJ	Annotated	Reactive	
COc1ccccc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498388	HJ	Annotated	Reactive	
COC(=O)c1ccc2[nH]cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2c1	ZINC000587498401	HJ	Annotated	Reactive	
COC(=O)c1ccc2[nH]cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2c1	ZINC000587498484	HJ	Annotated	Reactive	
COc1ccc2c(c1)C[C@@H](Br)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498496	HJ	Annotated	Reactive	
COc1ccc2c(c1)C[C@@H](Br)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498503	HJ	Annotated	Reactive	
COc1ccc2c(c1)C[C@H](Br)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498507	HJ	Annotated	Reactive	
COc1ccc2c(c1)C[C@H](Br)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498510	HJ	Annotated	Reactive	
O=C1C[C@](CCl)(c2ccc(N3CCCC3=O)cc2)Oc2c1ccc1c2CCCC1	ZINC000587498552	HJ	Annotated	Reactive	
O=C1C[C@@](CCl)(c2ccc(N3CCCC3=O)cc2)Oc2c1ccc1c2CCCC1	ZINC000587498554	HJ	Annotated	Reactive	
O=C1C[C@@H](c2cc3c(cc2Br)OCO3)Oc2c1ccc1c2CCCC1	ZINC000587498601	HJ	Annotated	Anodyne	
O=C1C[C@H](c2cc3c(cc2Br)OCO3)Oc2c1ccc1c2CCCC1	ZINC000587498603	HJ	Annotated	Anodyne	
N#CC1=COc2ccc(Br)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587498606	HJ	Annotated	Reactive	
N#CC1=COc2ccc(Br)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587498614	HJ	Annotated	Reactive	
O=C1CCCc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1	ZINC000587498831	HJ	Annotated	Reactive	
O=C1CCCc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1	ZINC000587498832	HJ	Annotated	Reactive	
CC1(C)CC2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(C)(C)N1C(=O)CCl	ZINC000587498847	HJ	Annotated	Reactive	
COc1ccc(Br)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O	ZINC000587498861	HJ	Annotated	Anodyne	
COc1ccc(Br)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O	ZINC000587498862	HJ	Annotated	Anodyne	
O=C1C[C@](CBr)(c2ccnc(Cl)c2)Oc2c1ccc1c2CCCC1	ZINC000587498925	HJ	Annotated	Reactive	
O=C1C[C@@](CBr)(c2ccnc(Cl)c2)Oc2c1ccc1c2CCCC1	ZINC000587498931	HJ	Annotated	Reactive	
CC(C)(Br)[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498984	HJ	Annotated	Reactive	
CC(C)(Br)[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498985	HJ	Annotated	Reactive	
CC[C@H](Br)[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498998	HJ	Annotated	Reactive	
CC[C@@H](Br)[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498999	HJ	Annotated	Reactive	
CC[C@H](Br)[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499000	HJ	Annotated	Reactive	
CC[C@@H](Br)[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499001	HJ	Annotated	Reactive	
COc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587499164	HJ	Annotated	Reactive	
COc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587499167	HJ	Annotated	Reactive	
CN(C)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587499177	HJ	Annotated	Reactive	
CN(C)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587499180	HJ	Annotated	Reactive	
CN1C(=O)CCc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21	ZINC000587499354	HJ	Annotated	Reactive	
CN1C(=O)CCc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21	ZINC000587499358	HJ	Annotated	Reactive	
O=C1C[C@](CBr)(c2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1	ZINC000587499441	HJ	Annotated	Reactive	
O=C1C[C@@](CBr)(c2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1	ZINC000587499446	HJ	Annotated	Reactive	
C[C@H](Br)[C@@]1([C@@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499490	HJ	Annotated	Reactive	
C[C@@H](Br)C1([C@@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499491	HJ	Annotated	Reactive	
C[C@H](Br)C1([C@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499492	HJ	Annotated	Reactive	
CC(C)(C)OC(=O)N1CC[C@H]1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499544	HJ	Annotated	Reactive	
CC(C)(C)OC(=O)N1CC[C@@H]1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499545	HJ	Annotated	Reactive	
CC(C)(C)OC(=O)N1CC[C@H]1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499546	HJ	Annotated	Reactive	
CC(C)(C)OC(=O)N1CC[C@@H]1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499547	HJ	Annotated	Reactive	
CN1Cc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2NC1=O	ZINC000587499556	HJ	Annotated	Reactive	
CN1Cc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2NC1=O	ZINC000587499557	HJ	Annotated	Reactive	
CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499564	HJ	Annotated	Reactive	
CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499565	HJ	Annotated	Reactive	
Cc1cccc(-n2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)nn2)c1	ZINC000587499572	HJ	Annotated	Reactive	
Cc1cccc(-n2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)nn2)c1	ZINC000587499573	HJ	Annotated	Reactive	
O=C1C[C@](CBr)(COc2ccccc2)Oc2c1ccc1c2CCCC1	ZINC000587499635	HJ	Annotated	Reactive	
O=C1C[C@@](CBr)(COc2ccccc2)Oc2c1ccc1c2CCCC1	ZINC000587499638	HJ	Annotated	Reactive	
COC(=O)c1cc2nc(Cl)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2n1C	ZINC000587499678	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](Br)C2	ZINC000587499680	HJ	Annotated	Reactive	
COc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](Br)C2	ZINC000587499681	HJ	Annotated	Reactive	
COc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](Br)C2	ZINC000587499682	HJ	Annotated	Reactive	
COc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](Br)C2	ZINC000587499683	HJ	Annotated	Reactive	
COC(=O)c1cc2nc(Cl)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2n1C	ZINC000587499686	HJ	Annotated	Anodyne	
O=C1C[C@](CBr)(c2ccccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1	ZINC000587499738	HJ	Annotated	Reactive	
O=C1C[C@@](CBr)(c2ccccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1	ZINC000587499740	HJ	Annotated	Reactive	
Cc1cc(Br)c2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2c1	ZINC000587499749	HJ	Annotated	Anodyne	
Cc1cc(Br)c2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2c1	ZINC000587499751	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(NC(=O)C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499778	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(NC(=O)C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499804	HJ	Annotated	Anodyne	
C[C@@]1(CN2C(=O)c3ccccc3N/C2=C/Cl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499980	HJ	Annotated	Anodyne	
C[C@@]1(CN2C(=O)c3ccccc3N/C2=C\Cl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499981	HJ	Annotated	Anodyne	
C[C@]1(CN2C(=O)c3ccccc3N/C2=C/Cl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499982	HJ	Annotated	Anodyne	
C[C@]1(CN2C(=O)c3ccccc3N/C2=C\Cl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499983	HJ	Annotated	Anodyne	
CN(Cc1cccc(Cl)c1)C(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499988	HJ	Annotated	Anodyne	
CN(Cc1cccc(Cl)c1)C(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499990	HJ	Annotated	Anodyne	
CCOC(=O)c1c(C)[nH]c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C	ZINC000587500057	HJ	Annotated	Reactive	
CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C	ZINC000587500058	HJ	Annotated	Reactive	
CCOC(=O)c1[nH]c(C)c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C	ZINC000587500128	HJ	Annotated	Reactive	
CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C	ZINC000587500131	HJ	Annotated	Reactive	
O=C1C[C@](CBr)(c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1	ZINC000587500166	HJ	Annotated	Reactive	
O=C1C[C@@](CBr)(c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1	ZINC000587500167	HJ	Annotated	Reactive	
CC(=O)Nc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1	ZINC000587500237	HJ	Annotated	Reactive	
CC(=O)Nc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1	ZINC000587500241	HJ	Annotated	Reactive	
Cn1cc(C(=O)c2ccccc2F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587500394	HJ	Annotated	Anodyne	
Cn1cc(C(=O)c2ccccc2F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587500395	HJ	Annotated	Anodyne	
C[C@@]1(c2cccc(NC(=O)C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587500436	HJ	Annotated	Anodyne	
C[C@]1(c2cccc(NC(=O)C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587500438	HJ	Annotated	Anodyne	
Cc1cc(Br)cn2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc12	ZINC000587500469	HJ	Annotated	Anodyne	
Cc1cc(Br)cn2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc12	ZINC000587500471	HJ	Annotated	Anodyne	
Cc1c(Br)cncc1CC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587500474	HJ	Annotated	Anodyne	
Cc1c(Br)cncc1CC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587500477	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2c(Cl)ncnc2NCc2ccccc2)Oc2c1ccc1c2CCCC1	ZINC000587500490	HJ	Annotated	Anodyne	
O=C1C[C@H](c2c(Cl)ncnc2NCc2ccccc2)Oc2c1ccc1c2CCCC1	ZINC000587500496	HJ	Annotated	Anodyne	
O=C(O)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587500595	HJ	Annotated	Reactive	
O=C(O)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587500597	HJ	Annotated	Reactive	
COc1ccc(Cl)cc1NC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587500718	HJ	Annotated	Anodyne	
COc1ccc(Cl)cc1NC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587500720	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccc(O)c(I)c2)Oc2c1ccc1c2CCCC1	ZINC000587500894	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2ccc(O)c(I)c2)Oc2c1ccc1c2CCCC1	ZINC000587500901	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccc(I)cc2)Oc2c1ccc1c2CCCC1	ZINC000587500904	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2ccc(I)cc2)Oc2c1ccc1c2CCCC1	ZINC000587500913	HJ	Annotated	Anodyne	
O=C1C[C@](CBr)(c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1	ZINC000587500929	HJ	Annotated	Reactive	
O=C1C[C@@](CBr)(c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1	ZINC000587500931	HJ	Annotated	Reactive	
O=C1C[C@H](c2ccc([N+](=O)[O-])cc2Br)Oc2c1ccc1c2CCCC1	ZINC000587501304	HJ	Annotated	Bother	
O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2Br)Oc2c1ccc1c2CCCC1	ZINC000587501309	HJ	Annotated	Bother	
O=C1C[C@H](c2ccc(I)c(O)c2)Oc2c1ccc1c2CCCC1	ZINC000587501386	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2ccc(I)c(O)c2)Oc2c1ccc1c2CCCC1	ZINC000587501391	HJ	Annotated	Anodyne	
O=C(O)c1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587501556	HJ	Annotated	Anodyne	
O=C(O)c1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587501560	HJ	Annotated	Anodyne	
COc1cc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl	ZINC000587501719	HJ	Annotated	Anodyne	
COc1cc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl	ZINC000587501721	HJ	Annotated	Anodyne	
O=C(O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1	ZINC000587501768	HJ	Annotated	Anodyne	
O=C(O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1	ZINC000587501769	HJ	Annotated	Anodyne	
O=C1C[C@@](CBr)(c2ccc3c(c2)CCO3)Oc2c1ccc1c2CCCC1	ZINC000587501836	HJ	Annotated	Reactive	
O=C1C[C@](CBr)(c2ccc3c(c2)CCO3)Oc2c1ccc1c2CCCC1	ZINC000587501837	HJ	Annotated	Reactive	
O=C(O)CCC[C@]1(c2cc(F)cc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587501961	HJ	Annotated	Anodyne	
O=C(O)CCC[C@@]1(c2cc(F)cc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587501967	HJ	Annotated	Anodyne	
O=C1C[C@@]2(CCN(c3cccc(Br)c3)C2)Oc2c1ccc1c2CCCC1	ZINC000587502409	HJ	Annotated	Anodyne	
O=C1C[C@]2(CCN(c3cccc(Br)c3)C2)Oc2c1ccc1c2CCCC1	ZINC000587502413	HJ	Annotated	Anodyne	
C[C@]1(c2cn(Cc3ccc(Cl)cc3)nn2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587502468	HJ	Annotated	Anodyne	
C[C@@]1(c2cn(Cc3ccc(Cl)cc3)nn2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587502473	HJ	Annotated	Anodyne	
O=C1CC2(CCN(c3ncccc3C(F)(F)F)CC2)Oc2c1ccc1c2CCCC1	ZINC000587502545	HJ	Annotated	Anodyne	
CN(Cc1ccccc1Cl)C(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587502691	HJ	Annotated	Anodyne	
CN(Cc1ccccc1Cl)C(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587502694	HJ	Annotated	Anodyne	
Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1-c1ccc(Cl)cc1	ZINC000587502747	HJ	Annotated	Anodyne	
Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1-c1ccc(Cl)cc1	ZINC000587502749	HJ	Annotated	Anodyne	
O=C1C[C@]2(C[C@H](NC(=O)C(F)(F)F)c3ccccc32)Oc2c1ccc1c2CCCC1	ZINC000587503118	HJ	Annotated	Anodyne	
O=C1C[C@]2(C[C@@H](NC(=O)C(F)(F)F)c3ccccc32)Oc2c1ccc1c2CCCC1	ZINC000587503119	HJ	Annotated	Anodyne	
O=C1C[C@@]2(C[C@H](NC(=O)C(F)(F)F)c3ccccc32)Oc2c1ccc1c2CCCC1	ZINC000587503120	HJ	Annotated	Anodyne	
O=C1C[C@@]2(C[C@@H](NC(=O)C(F)(F)F)c3ccccc32)Oc2c1ccc1c2CCCC1	ZINC000587503122	HJ	Annotated	Anodyne	
CCOc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F	ZINC000587503218	HJ	Annotated	Anodyne	
CCOc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F	ZINC000587503226	HJ	Annotated	Anodyne	
O=C1C[C@H](c2cc([N+](=O)[O-])ccc2Br)Oc2c1ccc1c2CCCC1	ZINC000587503512	HJ	Annotated	Bother	
O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Br)Oc2c1ccc1c2CCCC1	ZINC000587503514	HJ	Annotated	Bother	
O=C1C[C@@](C(=O)O)(c2c(Cl)ccc(F)c2Cl)Oc2c1ccc1c2CCCC1	ZINC000587503614	HJ	Annotated	Anodyne	
O=C1C[C@](C(=O)O)(c2c(Cl)ccc(F)c2Cl)Oc2c1ccc1c2CCCC1	ZINC000587503617	HJ	Annotated	Anodyne	
Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccc(Cl)cn1	ZINC000587503788	HJ	Annotated	Anodyne	
Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccc(Cl)cn1	ZINC000587503791	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(N3CCOCC3)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587503901	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(N3CCOCC3)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587503906	HJ	Annotated	Anodyne	
COc1ccc(F)cc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587504073	HJ	Annotated	Reactive	
COc1ccc(F)cc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587504075	HJ	Annotated	Reactive	
Cn1cc([C@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C=O	ZINC000587504124	HJ	Annotated	Anodyne	
Cn1cc([C@@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C=O	ZINC000587504125	HJ	Annotated	Anodyne	
O=C(O)CCC1=COc2cc(F)ccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587504126	HJ	Annotated	Anodyne	
O=C(O)CCC1=COc2cc(F)ccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587504127	HJ	Annotated	Anodyne	
Cc1nn(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1Br	ZINC000587504140	HJ	Annotated	Anodyne	
Cc1nn(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1Br	ZINC000587504143	HJ	Annotated	Anodyne	
O=C1CCc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c(F)cc2N1	ZINC000587504147	HJ	Annotated	Reactive	
O=C1CCc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c(F)cc2N1	ZINC000587504150	HJ	Annotated	Reactive	
COc1nc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br	ZINC000587504258	HJ	Annotated	Anodyne	
COc1nc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br	ZINC000587504263	HJ	Annotated	Anodyne	
CCN1CCN(c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2F)CC1	ZINC000587504266	HJ	Annotated	Anodyne	
CCN1CCN(c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2F)CC1	ZINC000587504294	HJ	Annotated	Anodyne	
CC(=O)Oc1ccc(Br)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587504330	HJ	Annotated	Anodyne	
CC(=O)Oc1ccc(Br)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587504332	HJ	Annotated	Anodyne	
CCN(CC)c1ccc2c(c1)OC(=O)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587504421	HJ	Annotated	Anodyne	
CCN(CC)c1ccc2c(c1)OC(=O)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587504426	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2cc(F)c(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587504467	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2cc(F)c(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587504478	HJ	Annotated	Anodyne	
CCN(CC)C(=O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587504558	HJ	Annotated	Anodyne	
CCN(CC)C(=O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587504563	HJ	Annotated	Anodyne	
COc1c(OC(F)F)ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-]	ZINC000587504586	HJ	Annotated	Bother	
COc1c(OC(F)F)ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-]	ZINC000587504589	HJ	Annotated	Bother	
O=C1C[C@H](c2ccccc2I)Oc2c1ccc1c2CCCC1	ZINC000587504668	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2ccccc2I)Oc2c1ccc1c2CCCC1	ZINC000587504672	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl)C(=O)O	ZINC000587504952	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl)C(=O)O	ZINC000587504962	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl)C(=O)O	ZINC000587504964	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl)C(=O)O	ZINC000587504966	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587505042	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587505043	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccc([N+](=O)[O-])c(Br)c2)Oc2c1ccc1c2CCCC1	ZINC000587505085	HJ	Annotated	Bother	
O=C1C[C@@H](c2ccc([N+](=O)[O-])c(Br)c2)Oc2c1ccc1c2CCCC1	ZINC000587505086	HJ	Annotated	Bother	
O=C1C[C@H](c2cc(Br)cc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1	ZINC000587505096	HJ	Annotated	Bother	
O=C1C[C@@H](c2cc(Br)cc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1	ZINC000587505097	HJ	Annotated	Bother	
CCOC(=O)C[C@@]1(c2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587505158	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587505160	HJ	Annotated	Anodyne	
O=C(O)/C=C\C1=COc2ccc(Cl)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587505175	HJ	Annotated	Anodyne	
O=C(O)/C=C\C1=COc2ccc(Cl)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587505183	HJ	Annotated	Anodyne	
O=C(O)/C=C/C1=COc2ccc(Cl)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587505185	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F	ZINC000587505186	HJ	Annotated	Reactive	
COc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F	ZINC000587505187	HJ	Annotated	Reactive	
O=C(O)/C=C/C1=COc2ccc(Cl)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587505196	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccc(I)cc2O)Oc2c1ccc1c2CCCC1	ZINC000587505213	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2ccc(I)cc2O)Oc2c1ccc1c2CCCC1	ZINC000587505215	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccc(O)cc2I)Oc2c1ccc1c2CCCC1	ZINC000587505428	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2ccc(O)cc2I)Oc2c1ccc1c2CCCC1	ZINC000587505430	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)[C@@]1(C=C(C(F)(F)F)O2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587505483	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)[C@]1(C=C(C(F)(F)F)O2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587505488	HJ	Annotated	Anodyne	
CCN(CC)C(=O)COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587505508	HJ	Annotated	Anodyne	
CCN(CC)C(=O)COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587505510	HJ	Annotated	Anodyne	
Cn1cc([C@@]2(c3ccccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C=O	ZINC000587505620	HJ	Annotated	Anodyne	
COc1c([N+](=O)[O-])ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC(F)F	ZINC000587505623	HJ	Annotated	Bother	
Cn1cc([C@]2(c3ccccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C=O	ZINC000587505626	HJ	Annotated	Anodyne	
COc1c([N+](=O)[O-])ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC(F)F	ZINC000587505627	HJ	Annotated	Bother	
CS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)(F)F)c1	ZINC000587505723	HJ	Annotated	Anodyne	
CS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)(F)F)c1	ZINC000587505728	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1	ZINC000587505747	HJ	Annotated	Anodyne	
COc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1	ZINC000587505749	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1	ZINC000587505870	HJ	Annotated	Reactive	
COc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1	ZINC000587505873	HJ	Annotated	Reactive	
Cc1nc(O)c(Br)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587505891	HJ	Annotated	Anodyne	
Cc1nc(O)c(Br)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587505901	HJ	Annotated	Anodyne	
COc1cccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1F	ZINC000587506295	HJ	Annotated	Reactive	
CCOC(=O)[C@@H](Cc1ccc(F)cc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587506296	HJ	Annotated	Anodyne	
COc1cccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1F	ZINC000587506301	HJ	Annotated	Reactive	
CCOC(=O)[C@H](Cc1ccc(F)cc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587506302	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](Cc1ccc(F)cc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587506309	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](Cc1ccc(F)cc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587506314	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(SCC(=O)O)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587506356	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(SCC(=O)O)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587506372	HJ	Annotated	Anodyne	
O=C1C[C@@](c2ccc(Br)cc2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1	ZINC000587506602	HJ	Annotated	Anodyne	
O=C1C[C@](c2ccc(Br)cc2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1	ZINC000587506605	HJ	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OC(F)F	ZINC000587506699	HJ	Annotated	Bother	
COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OC(F)F	ZINC000587506700	HJ	Annotated	Bother	
COc1ccc([C@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F	ZINC000587506863	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F	ZINC000587506864	HJ	Annotated	Anodyne	
CCN(CC)C(=O)C1C[C@@H]2CCC[C@H](C1)C21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587506995	HJ	Annotated	Anodyne	
O=C1C[C@@H](C2(c3cccc(Br)c3)COC2)Oc2c1ccc1c2CCCC1	ZINC000587507044	HJ	Annotated	Anodyne	
O=C1C[C@H](C2(c3cccc(Br)c3)COC2)Oc2c1ccc1c2CCCC1	ZINC000587507045	HJ	Annotated	Anodyne	
COc1ccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1	ZINC000587507138	HJ	Annotated	Bother	
COc1ccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1	ZINC000587507140	HJ	Annotated	Bother	
COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC(F)F	ZINC000587507247	HJ	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC(F)F	ZINC000587507250	HJ	Annotated	Anodyne	
O=C1C[C@@](Cc2ccc(Cl)c(Cl)c2)(C(=O)O)Oc2c1ccc1c2CCCC1	ZINC000587507411	HJ	Annotated	Anodyne	
O=C1C[C@](Cc2ccc(Cl)c(Cl)c2)(C(=O)O)Oc2c1ccc1c2CCCC1	ZINC000587507415	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(F)(F)C1	ZINC000587507450	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(F)(F)C1	ZINC000587507454	HJ	Annotated	Anodyne	
O=C(O)c1cc([C@@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1	ZINC000587507635	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587507637	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587507638	HJ	Annotated	Anodyne	
O=C(O)c1cc([C@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1	ZINC000587507639	HJ	Annotated	Anodyne	
CC1(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(OCC#N)cc2O1	ZINC000587507722	HJ	Annotated	Mild	
CC1(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(OCC#N)cc2O1	ZINC000587507734	HJ	Annotated	Mild	
O=C1C[C@@H](c2cccc(I)c2O)Oc2c1ccc1c2CCCC1	ZINC000587507839	HJ	Annotated	Anodyne	
O=C1C[C@H](c2cccc(I)c2O)Oc2c1ccc1c2CCCC1	ZINC000587507841	HJ	Annotated	Anodyne	
Cc1ccc2c(c1N)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O	ZINC000587507883	HJ	Annotated	Anodyne	
Cc1ccc2c(c1N)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O	ZINC000587507884	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-]	ZINC000587507931	HJ	Annotated	Bother	
Cc1ccc([C@@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-]	ZINC000587507932	HJ	Annotated	Bother	
Cc1ccc([C@@]2(/C=C\N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-]	ZINC000587507933	HJ	Annotated	Bother	
Cc1ccc([C@]2(/C=C\N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-]	ZINC000587507934	HJ	Annotated	Bother	
CC(C)(C)OC(=O)N1CC[C@](F)([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1	ZINC000587508134	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CC[C@@](F)([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1	ZINC000587508136	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CC[C@@](F)([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1	ZINC000587508138	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CC[C@](F)([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1	ZINC000587508139	HJ	Annotated	Anodyne	
COc1nccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1NC(=O)C(C)(C)C	ZINC000587508213	HJ	Annotated	Anodyne	
COc1nccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1NC(=O)C(C)(C)C	ZINC000587508216	HJ	Annotated	Anodyne	
COc1c(F)cccc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587508233	HJ	Annotated	Reactive	
COc1c(F)cccc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587508236	HJ	Annotated	Reactive	
CC(C)(C)OC(=O)N=c1cc[nH]cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587508314	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N=c1cc[nH]cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587508316	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(SCC(=O)O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587508426	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(SCC(=O)O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587508427	HJ	Annotated	Anodyne	
O=C1C[C@H](c2cccc(I)c2)Oc2c1ccc1c2CCCC1	ZINC000587508442	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2cccc(I)c2)Oc2c1ccc1c2CCCC1	ZINC000587508445	HJ	Annotated	Anodyne	
C=CCN(C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OCc1ccccc1	ZINC000587508537	HJ	Annotated	Mild	
C=CCN(C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OCc1ccccc1	ZINC000587508546	HJ	Annotated	Mild	
CCOC(=O)[C@]1(c2ccc(F)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587508609	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2ccc(F)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587508621	HJ	Annotated	Anodyne	
Nc1ncccc1[C@@]1(c2cc(F)cc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587508678	HJ	Annotated	Anodyne	
Nc1ncccc1[C@]1(c2cc(F)cc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587508684	HJ	Annotated	Anodyne	
COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCCCN(C)C	ZINC000587508690	HJ	Annotated	Anodyne	
COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCCCN(C)C	ZINC000587508694	HJ	Annotated	Anodyne	
Nc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-]	ZINC000587508850	HJ	Annotated	Bother	
Nc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-]	ZINC000587508853	HJ	Annotated	Bother	
Cc1c([N+](=O)[O-])cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1[N+](=O)[O-]	ZINC000587508905	HJ	Annotated	Bother	
Cc1c([N+](=O)[O-])cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1[N+](=O)[O-]	ZINC000587508906	HJ	Annotated	Bother	
O=C1C[C@H](c2cc(O)ccc2I)Oc2c1ccc1c2CCCC1	ZINC000587509046	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2cc(O)ccc2I)Oc2c1ccc1c2CCCC1	ZINC000587509048	HJ	Annotated	Anodyne	
O=C1C[C@H](c2cc(I)ccc2O)Oc2c1ccc1c2CCCC1	ZINC000587509050	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2cc(I)ccc2O)Oc2c1ccc1c2CCCC1	ZINC000587509051	HJ	Annotated	Anodyne	
CN1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(Cl)c2)CC1	ZINC000587509627	HJ	Annotated	Anodyne	
CN1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(Cl)c2)CC1	ZINC000587509634	HJ	Annotated	Anodyne	
CN1CCN(c2cccc(Cl)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1	ZINC000587509722	HJ	Annotated	Anodyne	
CN1CCN(c2cccc(Cl)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1	ZINC000587509724	HJ	Annotated	Anodyne	
Cn1cc(C(=O)c2ccc(F)cc2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587510025	HJ	Annotated	Anodyne	
Cn1cc(C(=O)c2ccc(F)cc2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587510026	HJ	Annotated	Anodyne	
COCCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587510510	HJ	Annotated	Anodyne	
COCCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587510518	HJ	Annotated	Anodyne	
COCCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587510519	HJ	Annotated	Anodyne	
COCCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587510520	HJ	Annotated	Anodyne	
Cc1nn2c(C(F)(F)F)ccnc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587510593	HJ	Annotated	Anodyne	
Cc1nn2c(C(F)(F)F)ccnc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587510599	HJ	Annotated	Anodyne	
Cc1ccc2c(c1N)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587510627	HJ	Annotated	Anodyne	
Cc1ccc2c(c1N)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587510631	HJ	Annotated	Anodyne	
NC(=O)c1ccccc1OCc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1	ZINC000587510636	HJ	Annotated	Anodyne	
NC(=O)c1ccccc1OCc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1	ZINC000587510904	HJ	Annotated	Anodyne	
COc1c(NC(=O)C(C)(C)C)ccnc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587510994	HJ	Annotated	Anodyne	
COc1c(NC(=O)C(C)(C)C)ccnc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587510997	HJ	Annotated	Anodyne	
Nc1ccccc1[C@]1(c2ccccc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587511114	HJ	Annotated	Anodyne	
Nc1ccccc1[C@@]1(c2ccccc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587511119	HJ	Annotated	Anodyne	
COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587511363	HJ	Annotated	Bother	
COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587511366	HJ	Annotated	Bother	
NCCOc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587511484	HJ	Annotated	Anodyne	
NCCOc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587511488	HJ	Annotated	Anodyne	
O=C1C[C@H](c2cccn2[C@@H](Cc2ccccc2)C(=O)O)Oc2c1ccc1c2CCCC1	ZINC000587511526	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2cccn2[C@@H](Cc2ccccc2)C(=O)O)Oc2c1ccc1c2CCCC1	ZINC000587511527	HJ	Annotated	Anodyne	
O=C(C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)Nc1cccnc1	ZINC000587511553	HJ	Annotated	Anodyne	
O=C(C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)Nc1cccnc1	ZINC000587511557	HJ	Annotated	Anodyne	
Cc1cc(C(=O)Nc2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)no1	ZINC000587511594	HJ	Annotated	Anodyne	
Cc1cc(C(=O)Nc2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)no1	ZINC000587511595	HJ	Annotated	Anodyne	
Nc1ncc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1C(=O)O	ZINC000587511683	HJ	Annotated	Anodyne	
Nc1ncc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1C(=O)O	ZINC000587511685	HJ	Annotated	Anodyne	
Cn1cc([N+](=O)[O-])c(Oc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)n1	ZINC000587511739	HJ	Annotated	Bother	
Cn1cc([N+](=O)[O-])c(Oc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)n1	ZINC000587511742	HJ	Annotated	Bother	
Cn1cc([N+](=O)[O-])c(Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)n1	ZINC000587512071	HJ	Annotated	Bother	
Cn1cc([N+](=O)[O-])c(Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)n1	ZINC000587512073	HJ	Annotated	Bother	
C[C@]1(CC(=O)NC2C3CC4CC(C3)CC2C4)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587512112	HJ	Annotated	Anodyne	
C[C@@]1(CC(=O)NC2C3CC4CC(C3)CC2C4)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587512114	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1ccnc1C	ZINC000587512158	HJ	Annotated	Anodyne	
COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1ccnc1C	ZINC000587512160	HJ	Annotated	Anodyne	
COC(=O)Nc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1	ZINC000587512192	HJ	Annotated	Bother	
COC(=O)Nc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1	ZINC000587512194	HJ	Annotated	Bother	
O=C1C[C@H](c2cccn2[C@@H](C(=O)O)c2ccccc2)Oc2c1ccc1c2CCCC1	ZINC000587512256	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2cccn2[C@H](C(=O)O)c2ccccc2)Oc2c1ccc1c2CCCC1	ZINC000587512257	HJ	Annotated	Anodyne	
O=C1C[C@H](c2cccn2[C@H](C(=O)O)c2ccccc2)Oc2c1ccc1c2CCCC1	ZINC000587512291	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2cccn2[C@@H](C(=O)O)c2ccccc2)Oc2c1ccc1c2CCCC1	ZINC000587512292	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587512665	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587512668	HJ	Annotated	Anodyne	
COc1ccc([C@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC	ZINC000587512727	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC	ZINC000587512730	HJ	Annotated	Anodyne	
O=C1C[C@]2(CCCN(C(=O)Oc3ccccc3)CC2)Oc2c1ccc1c2CCCC1	ZINC000587512813	HJ	Annotated	Anodyne	
O=C1C[C@@]2(CCCN(C(=O)Oc3ccccc3)CC2)Oc2c1ccc1c2CCCC1	ZINC000587512816	HJ	Annotated	Anodyne	
Cn1ccnc1COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587512860	HJ	Annotated	Anodyne	
Cn1ccnc1COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587512862	HJ	Annotated	Anodyne	
Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587512868	HJ	Annotated	Bother	
Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587512870	HJ	Annotated	Bother	
O=C1C[C@@H](c2ccccc2OCC(=O)N2CCCCC2)Oc2c1ccc1c2CCCC1	ZINC000587512952	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccccc2OCC(=O)N2CCCCC2)Oc2c1ccc1c2CCCC1	ZINC000587512955	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)Oc2c1ccc1c2CCCC1	ZINC000587512985	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)Oc2c1ccc1c2CCCC1	ZINC000587512990	HJ	Annotated	Anodyne	
COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N1CCCC1	ZINC000587513102	HJ	Annotated	Anodyne	
COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N1CCCC1	ZINC000587513104	HJ	Annotated	Anodyne	
COC(=O)C1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1	ZINC000587513141	HJ	Annotated	Anodyne	
COC(=O)C1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1	ZINC000587513142	HJ	Annotated	Anodyne	
CN1CCC(N(C)c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1	ZINC000587513171	HJ	Annotated	Anodyne	
CN1CCC(N(C)c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1	ZINC000587513175	HJ	Annotated	Anodyne	
Cn1cc([N+](=O)[O-])c(Oc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1	ZINC000587513299	HJ	Annotated	Bother	
Cn1cc([N+](=O)[O-])c(Oc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1	ZINC000587513301	HJ	Annotated	Bother	
CCCN1CCN(c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1	ZINC000587513344	HJ	Annotated	Anodyne	
CCCN1CCN(c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1	ZINC000587513346	HJ	Annotated	Anodyne	
CC(C)NC(=O)Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21	ZINC000587513499	HJ	Annotated	Anodyne	
CC(C)NC(=O)Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21	ZINC000587513500	HJ	Annotated	Anodyne	
CCOC(=O)Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21	ZINC000587513539	HJ	Annotated	Anodyne	
CCOC(=O)Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21	ZINC000587513540	HJ	Annotated	Anodyne	
COCCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(OC)ccc21	ZINC000587513541	HJ	Annotated	Anodyne	
COCCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(OC)ccc21	ZINC000587513542	HJ	Annotated	Anodyne	
COc1cccc(OC)c1CN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587513703	HJ	Annotated	Anodyne	
N#Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587513732	HJ	Annotated	Mild	
N#Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587513734	HJ	Annotated	Mild	
O=C1C[C@@H](c2ccc(N3CCC4(CC3)OCCO4)cc2)Oc2c1ccc1c2CCCC1	ZINC000587513892	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccc(N3CCC4(CC3)OCCO4)cc2)Oc2c1ccc1c2CCCC1	ZINC000587513894	HJ	Annotated	Anodyne	
Cc1nn(Cc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c(C)c1[N+](=O)[O-]	ZINC000587513911	HJ	Annotated	Bother	
CC(C)N1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1	ZINC000587513915	HJ	Annotated	Anodyne	
CC(C)N1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1	ZINC000587513916	HJ	Annotated	Anodyne	
Cc1nn(Cc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c(C)c1[N+](=O)[O-]	ZINC000587513919	HJ	Annotated	Bother	
COC(=O)Cn1c(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21	ZINC000587514027	HJ	Annotated	Clean	
COC(=O)Cn1c(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21	ZINC000587514028	HJ	Annotated	Clean	
CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)C1	ZINC000587514153	HJ	Annotated	Mild	
CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)C1	ZINC000587514160	HJ	Annotated	Mild	
CC(C)(C)OC(=O)N1CCC[C@@H]([C@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)C1	ZINC000587514162	HJ	Annotated	Mild	
CC(C)(C)OC(=O)N1CCC[C@@H]([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)C1	ZINC000587514165	HJ	Annotated	Mild	
Cc1ccc(NC(=O)[C@@H](N=O)[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1	ZINC000587514221	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)[C@H](N=O)[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1	ZINC000587514226	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)[C@H](N=O)[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1	ZINC000587514229	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)[C@@H](N=O)[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1	ZINC000587514231	HJ	Annotated	Anodyne	
O=C1C[C@]2(Oc3c1ccc1c3CCCC1)/C(=C\c1cccnc1)Oc1cc(O)ccc12	ZINC000587514269	HJ	Annotated	Anodyne	
O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)/C(=C\c1cccnc1)Oc1cc(O)ccc12	ZINC000587514270	HJ	Annotated	Anodyne	
CC(C)(C)C(=O)Nc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1C#N	ZINC000587514307	HJ	Annotated	Mild	
CC(C)(C)C(=O)Nc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1C#N	ZINC000587514314	HJ	Annotated	Mild	
COC(=O)c1ccccc1-n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587514326	HJ	Annotated	Anodyne	
COC(=O)c1ccccc1-n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587514328	HJ	Annotated	Anodyne	
Cn1ccnc1[C@]1(c2nccc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587514456	HJ	Annotated	Anodyne	
Cn1ccnc1[C@@]1(c2nccc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587514457	HJ	Annotated	Anodyne	
COC(=O)c1cc(C)n(-c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1	ZINC000587514494	HJ	Annotated	Anodyne	
COC(=O)c1cc(C)n(-c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1	ZINC000587514495	HJ	Annotated	Anodyne	
Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1CC(=O)O	ZINC000587514506	HJ	Annotated	Anodyne	
Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1CC(=O)O	ZINC000587514507	HJ	Annotated	Anodyne	
Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000587514513	HJ	Annotated	Bother	
Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000587514515	HJ	Annotated	Bother	
COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587514560	HJ	Annotated	Bother	
COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587514562	HJ	Annotated	Bother	
C=CN1CCCC[C@@H]([C@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O	ZINC000587514666	HJ	Annotated	Anodyne	
C=CN1CCCC[C@H]([C@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O	ZINC000587514674	HJ	Annotated	Anodyne	
C=CN1CCCC[C@@H]([C@@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O	ZINC000587514678	HJ	Annotated	Anodyne	
C=CN1CCCC[C@H]([C@@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O	ZINC000587514681	HJ	Annotated	Anodyne	
O=C1C[C@H]([C@H]2CCCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1	ZINC000587514737	HJ	Annotated	Anodyne	
O=C1C[C@H]([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1	ZINC000587514738	HJ	Annotated	Anodyne	
O=C1C[C@@H]([C@H]2CCCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1	ZINC000587514739	HJ	Annotated	Anodyne	
O=C1C[C@@H]([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1	ZINC000587514740	HJ	Annotated	Anodyne	
CN1CCC2(CC1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1O2	ZINC000587514908	HJ	Annotated	Anodyne	
CN1CCC2(CC1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1O2	ZINC000587514910	HJ	Annotated	Anodyne	
CC(C)(C)NC(=O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587514959	HJ	Annotated	Anodyne	
CC(C)(C)NC(=O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587514960	HJ	Annotated	Anodyne	
Cc1cc(C)n(C[C@@]2(c3cccc(N)c3)CC(=O)c3ccc4c(c3O2)CCCC4)n1	ZINC000587515047	HJ	Annotated	Anodyne	
Cc1cc(C)n(C[C@]2(c3cccc(N)c3)CC(=O)c3ccc4c(c3O2)CCCC4)n1	ZINC000587515048	HJ	Annotated	Anodyne	
O=C(O)Cn1cc([C@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21	ZINC000587515154	HJ	Annotated	Anodyne	
O=C(O)Cn1cc([C@@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21	ZINC000587515164	HJ	Annotated	Anodyne	
COCOc1cccc([C@@]2(c3ccccn3)CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587515447	HJ	Annotated	Anodyne	
COCOc1cccc([C@]2(c3ccccn3)CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587515448	HJ	Annotated	Anodyne	
CCn1ccc(C(=O)Oc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)n1	ZINC000587515619	HJ	Annotated	Anodyne	
CCn1ccc(C(=O)Oc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)n1	ZINC000587515620	HJ	Annotated	Anodyne	
COCOc1ccccc1[C@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587515778	HJ	Annotated	Anodyne	
COCOc1ccccc1[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587515779	HJ	Annotated	Anodyne	
COCOc1ccc([C@@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587515798	HJ	Annotated	Anodyne	
COCOc1ccc([C@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587515799	HJ	Annotated	Anodyne	
COCOc1cccc([C@@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587515810	HJ	Annotated	Anodyne	
COCOc1cccc([C@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587515811	HJ	Annotated	Anodyne	
O=C(O)c1ccc([C@@]2(Cc3ccccn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587515818	HJ	Annotated	Anodyne	
O=C(O)c1ccc([C@]2(Cc3ccccn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587515952	HJ	Annotated	Anodyne	
COC(=O)c1ccnc([C@H]2CCCC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)c1	ZINC000587516013	HJ	Annotated	Anodyne	
COC(=O)c1ccnc([C@@H]2CCCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)c1	ZINC000587516016	HJ	Annotated	Anodyne	
COC(=O)c1ccnc([C@@H]2CCCC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)c1	ZINC000587516017	HJ	Annotated	Anodyne	
COC(=O)c1ccnc([C@H]2CCCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)c1	ZINC000587516018	HJ	Annotated	Anodyne	
COCOc1ccccc1[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587516048	HJ	Annotated	Anodyne	
COCOc1ccccc1[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587516050	HJ	Annotated	Anodyne	
Cc1cccc([C@@H](O)[C@]2(c3cccc(C)n3)CC(=O)c3ccc4c(c3O2)CCCC4)n1	ZINC000587516065	HJ	Annotated	Anodyne	
Cc1cccc([C@@H](O)[C@@]2(c3cccc(C)n3)CC(=O)c3ccc4c(c3O2)CCCC4)n1	ZINC000587516068	HJ	Annotated	Anodyne	
Cc1cccc([C@H](O)[C@]2(c3cccc(C)n3)CC(=O)c3ccc4c(c3O2)CCCC4)n1	ZINC000587516069	HJ	Annotated	Anodyne	
Cc1cccc([C@H](O)[C@@]2(c3cccc(C)n3)CC(=O)c3ccc4c(c3O2)CCCC4)n1	ZINC000587516070	HJ	Annotated	Anodyne	
COCOc1ccccc1[C@]1(c2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587516089	HJ	Annotated	Anodyne	
COCOc1ccccc1[C@@]1(c2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587516090	HJ	Annotated	Anodyne	
C=CN1CCCC[C@@H]([C@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O	ZINC000587516156	HJ	Annotated	Anodyne	
C=CN1CCCC[C@H]([C@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O	ZINC000587516157	HJ	Annotated	Anodyne	
C=CN1CCCC[C@@H]([C@@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O	ZINC000587516158	HJ	Annotated	Anodyne	
C=CN1CCCC[C@H]([C@@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O	ZINC000587516159	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(N3CCC(C(=O)O)CC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587516176	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(N3CCC(C(=O)O)CC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587516177	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1[C@H]([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)COC1(C)C	ZINC000587516233	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1[C@@H]([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)COC1(C)C	ZINC000587516234	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1[C@@H]([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)COC1(C)C	ZINC000587516235	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1[C@H]([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)COC1(C)C	ZINC000587516236	HJ	Annotated	Anodyne	
Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1-c1cccc2ncccc12	ZINC000587516261	HJ	Annotated	Anodyne	
COCOc1ccc([C@@]2(c3ccccn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587516271	HJ	Annotated	Anodyne	
COCOc1ccc([C@]2(c3ccccn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587516272	HJ	Annotated	Anodyne	
Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1-c1cccc2ncccc12	ZINC000587516312	HJ	Annotated	Anodyne	
CCOC(=O)c1nn(-c2ccccc2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587516384	HJ	Annotated	Anodyne	
CCOC(=O)c1nn(-c2ccccc2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587516387	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(c3c(N)nc4n3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587516505	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(c3c(N)nc4n3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587516507	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CCn2c(ccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1	ZINC000587516602	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CCn2c(ccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1	ZINC000587516605	HJ	Annotated	Anodyne	
CCOC(=O)C1(c2ccncc2)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587516616	HJ	Annotated	Anodyne	
O=C(Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21)NC1CC1	ZINC000587516716	HJ	Annotated	Anodyne	
O=C(Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21)NC1CC1	ZINC000587516717	HJ	Annotated	Anodyne	
C[C@]1(c2cn(CCC(=O)O)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587516728	HJ	Annotated	Anodyne	
C[C@@]1(c2cn(CCC(=O)O)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587516729	HJ	Annotated	Anodyne	
CCn1ccc(C(=O)Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)n1	ZINC000587516746	HJ	Annotated	Anodyne	
CCn1ccc(C(=O)Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)n1	ZINC000587516747	HJ	Annotated	Anodyne	
COCOc1ccc([C@@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587516773	HJ	Annotated	Anodyne	
COCOc1ccc([C@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587516775	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)n1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cccnc21	ZINC000587516783	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)n1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cccnc21	ZINC000587516788	HJ	Annotated	Anodyne	
COCOc1cccc([C@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587516790	HJ	Annotated	Anodyne	
COCOc1cccc([C@@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587516793	HJ	Annotated	Anodyne	
C[C@@]1(CCCCN2C(=O)c3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587517089	HJ	Annotated	Anodyne	
C[C@]1(CCCCN2C(=O)c3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587517090	HJ	Annotated	Anodyne	
O=C1C[C@]2(CCC[C@H](N3C(=O)c4ccccc4C3=O)C2)Oc2c1ccc1c2CCCC1	ZINC000587517509	HJ	Annotated	Anodyne	
O=C1C[C@@]2(CCC[C@H](N3C(=O)c4ccccc4C3=O)C2)Oc2c1ccc1c2CCCC1	ZINC000587517510	HJ	Annotated	Anodyne	
O=C1C[C@@]2(CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)Oc2c1ccc1c2CCCC1	ZINC000587517511	HJ	Annotated	Anodyne	
O=C1C[C@]2(CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)Oc2c1ccc1c2CCCC1	ZINC000587517512	HJ	Annotated	Anodyne	
O=C1CC2(CCC(N3C(=O)c4ccccc4C3=O)CC2)Oc2c1ccc1c2CCCC1	ZINC000587517740	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cccn1	ZINC000587517829	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cccn1	ZINC000587517830	HJ	Annotated	Anodyne	
O=C1C[C@H]([C@@H]2CCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1	ZINC000587517845	HJ	Annotated	Anodyne	
O=C1C[C@@H]([C@H]2CCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1	ZINC000587517846	HJ	Annotated	Anodyne	
O=C1C[C@H]([C@H]2CCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1	ZINC000587517847	HJ	Annotated	Anodyne	
O=C1C[C@@H]([C@@H]2CCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1	ZINC000587517848	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cc(C)cn1	ZINC000587517915	HJ	Annotated	Anodyne	
COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cc(C)cn1	ZINC000587517916	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(C(C)(C)N3CCOCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587518354	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(C(C)(C)N3CCOCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587518355	HJ	Annotated	Anodyne	
COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587518368	HJ	Annotated	Clean	
COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587518369	HJ	Annotated	Clean	
O=C1C[C@@H](c2cc3ccccc3nc2N2CCOCC2)Oc2c1ccc1c2CCCC1	ZINC000587518392	HJ	Annotated	Anodyne	
O=C1C[C@H](c2cc3ccccc3nc2N2CCOCC2)Oc2c1ccc1c2CCCC1	ZINC000587518393	HJ	Annotated	Anodyne	
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587518509	HJ	Annotated	Anodyne	
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587518510	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]3(CC[C@H]2C1)CC(=O)c1ccc2c(c1O3)CCCC2	ZINC000587518700	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H]2C1	ZINC000587518701	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H]2C1	ZINC000587518702	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@H]2C[C@]3(CC[C@H]2C1)CC(=O)c1ccc2c(c1O3)CCCC2	ZINC000587518703	HJ	Annotated	Anodyne	
O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1C[C@H]2CN(C(=O)OCc2ccccc2)C1	ZINC000587518720	HJ	Annotated	Anodyne	
COC(=O)CCc1c(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn12	ZINC000587518836	HJ	Annotated	Anodyne	
COC(=O)CCc1c(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn12	ZINC000587518837	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CC1(CC(=O)c3ccc4c(c3O1)CCCC4)C2	ZINC000587518847	HJ	Annotated	Anodyne	
O=C1CC2(CC3(CN(C(=O)OCc4ccccc4)C3)C2)Oc2c1ccc1c2CCCC1	ZINC000587518999	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]2C1	ZINC000587519040	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1	ZINC000587519041	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]2C1	ZINC000587519042	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1	ZINC000587519043	HJ	Annotated	Anodyne	
O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1CC[C@H]2N(C(=O)OCc2ccccc2)C1	ZINC000587519136	HJ	Annotated	Anodyne	
O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1CC[C@H]2N(C(=O)OCc2ccccc2)C1	ZINC000587519137	HJ	Annotated	Anodyne	
O=C1C[C@@]2(C[C@H]3C[C@H]2CN3C(=O)OCc2ccccc2)Oc2c1ccc1c2CCCC1	ZINC000587519263	HJ	Annotated	Anodyne	
O=C1C[C@]2(C[C@H]3C[C@H]2CN3C(=O)OCc2ccccc2)Oc2c1ccc1c2CCCC1	ZINC000587519264	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1[C@@H](C[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)COC1(C)C	ZINC000587519313	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1[C@@H](C[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)COC1(C)C	ZINC000587519314	HJ	Annotated	Anodyne	
CCCCN1CC2CN(CCCC)CC(C1)C21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587519319	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587520511	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587520512	HJ	Annotated	Anodyne	
COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCCC(=O)O	ZINC000587520523	HJ	Annotated	Anodyne	
COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCCC(=O)O	ZINC000587520524	HJ	Annotated	Anodyne	
CCOC(=O)CCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587520566	HJ	Annotated	Anodyne	
CCOC(=O)CCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587520567	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O[C@@H](C)C(=O)O	ZINC000587520867	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O[C@@H](C)C(=O)O	ZINC000587520868	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O[C@H](C)C(=O)O	ZINC000587520870	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O[C@H](C)C(=O)O	ZINC000587520872	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(COc2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587520908	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(COc2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587520912	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC	ZINC000587521065	HJ	Annotated	Anodyne	
COc1ccc([C@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC	ZINC000587521066	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@@]2(c3cc[nH]c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587521249	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@]2(c3cc[nH]c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587521263	HJ	Annotated	Anodyne	
CCN(CC)C(=O)[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587521377	HJ	Annotated	Anodyne	
CCN(CC)C(=O)[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587521391	HJ	Annotated	Anodyne	
COC(=O)c1cc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1	ZINC000587521535	HJ	Annotated	Anodyne	
COC(=O)c1cc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1	ZINC000587521537	HJ	Annotated	Anodyne	
CCOc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C	ZINC000587521598	HJ	Annotated	Anodyne	
CCOc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C	ZINC000587521606	HJ	Annotated	Anodyne	
CCOC(=O)CC[C@]1(c2cccc(C=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587521878	HJ	Annotated	Anodyne	
CCOC(=O)CC[C@@]1(c2cccc(C=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587521885	HJ	Annotated	Anodyne	
O=C(O)c1cc([C@@]2(Cc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1	ZINC000587521996	HJ	Annotated	Anodyne	
O=C(O)c1cc([C@]2(Cc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1	ZINC000587522027	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(c2cc(C)c(OC)c(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587522069	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2cc(C)c(OC)c(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587522071	HJ	Annotated	Anodyne	
O=C(C(=O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1	ZINC000587522146	HJ	Annotated	Clean	
O=C(C(=O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1	ZINC000587522157	HJ	Annotated	Clean	
CCOC(=O)[C@]1(c2c(C)[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587522247	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587522252	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](CC)Oc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587522274	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H](CC)Oc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587522277	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](CC)Oc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587522278	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](CC)Oc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587522281	HJ	Annotated	Anodyne	
COc1ccc([C@]2(CC(C)(C)C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587522725	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(CC(C)(C)C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587522731	HJ	Annotated	Anodyne	
COc1ccccc1C[C@@H]1N2CCC(CC2)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587522998	HJ	Annotated	Anodyne	
COc1ccccc1C[C@@H]1N2CCC(CC2)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587523000	HJ	Annotated	Anodyne	
COc1ccccc1C[C@H]1N2CCC(CC2)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587523002	HJ	Annotated	Anodyne	
COc1ccccc1C[C@H]1N2CCC(CC2)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587523003	HJ	Annotated	Anodyne	
COC(=O)C[C@@]1(c2ccc(OC(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587523197	HJ	Annotated	Anodyne	
COC(=O)C[C@]1(c2ccc(OC(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587523205	HJ	Annotated	Anodyne	
COC(=O)C1(c2ccccc2)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587523462	HJ	Annotated	Anodyne	
COc1ccc([C@]2(c3ccccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1	ZINC000587523499	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(c3ccccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1	ZINC000587523505	HJ	Annotated	Anodyne	
CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587523652	HJ	Annotated	Anodyne	
CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587523653	HJ	Annotated	Anodyne	
C[C@@]1(CCc2ccc(OCCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587523710	HJ	Annotated	Anodyne	
C[C@]1(CCc2ccc(OCCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587523712	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccc(CC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O	ZINC000587523802	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc(CC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O	ZINC000587523811	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc(CC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O	ZINC000587523812	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccc(CC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O	ZINC000587523816	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(Cc2ccc3ccccc3n2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587523947	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(Cc2ccc3ccccc3n2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587523955	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(c2ccc3c(c2)CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587524441	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2ccc3c(c2)CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587524443	HJ	Annotated	Anodyne	
Cc1ccc(OCC(=O)O)c2c1[C@H](C)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587524471	HJ	Annotated	Anodyne	
Cc1ccc(OCC(=O)O)c2c1[C@@H](C)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587524472	HJ	Annotated	Anodyne	
Cc1ccc(OCC(=O)O)c2c1[C@@H](C)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587524473	HJ	Annotated	Anodyne	
Cc1ccc(OCC(=O)O)c2c1[C@H](C)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587524474	HJ	Annotated	Anodyne	
COc1cccc([C@@]2(c3c[nH]c(C(=O)O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587524764	HJ	Annotated	Anodyne	
COc1cccc([C@]2(c3c[nH]c(C(=O)O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587524776	HJ	Annotated	Anodyne	
COc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587524959	HJ	Annotated	Anodyne	
COc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587524960	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2cc(CC)ccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587525436	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2cc(CC)ccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587525440	HJ	Annotated	Anodyne	
COC(=O)CCC[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587525496	HJ	Annotated	Anodyne	
COC(=O)CCC[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587525497	HJ	Annotated	Anodyne	
COc1cc2c(c(OC)c1OC)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587525533	HJ	Annotated	Anodyne	
COc1cc2c(c(OC)c1OC)[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587525541	HJ	Annotated	Anodyne	
CCOC(=O)CCC(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587525625	HJ	Annotated	Anodyne	
CCOC(=O)CCC(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587525627	HJ	Annotated	Anodyne	
COc1ccc(OC)c(-c2n[nH]cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587525756	HJ	Annotated	Anodyne	
COc1ccc(OC)c(-c2n[nH]cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587525757	HJ	Annotated	Anodyne	
COc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC	ZINC000587526354	HJ	Annotated	Anodyne	
COc1ccc(-c2n[nH]cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC	ZINC000587526356	HJ	Annotated	Anodyne	
CCOC(=O)C(=O)C[C@@]1(c2cc(C)ccc2C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587526544	HJ	Annotated	Anodyne	
CCOC(=O)C(=O)C[C@]1(c2cc(C)ccc2C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587526545	HJ	Annotated	Anodyne	
CCOC(=O)C(=O)C[C@@]1(c2ccc(C)c(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587526741	HJ	Annotated	Anodyne	
CCOC(=O)C(=O)C[C@]1(c2ccc(C)c(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587526742	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccc(OCC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587526950	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccc(OCC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587526952	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccccc2OCC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587527207	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccccc2OCC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587527209	HJ	Annotated	Anodyne	
COC(=O)c1noc(C)c1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587527278	HJ	Annotated	Anodyne	
COC(=O)c1noc(C)c1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587527280	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587527689	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587527690	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587527982	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587527987	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587527992	HJ	Annotated	Anodyne	
COc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587527993	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccc(OC)c(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587528061	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccc(OC)c(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587528062	HJ	Annotated	Anodyne	
N=c1[nH]c2ccc([C@]3(c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)cc2[nH]1	ZINC000587528303	HJ	Annotated	Anodyne	
N=c1[nH]c2ccc([C@@]3(c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)cc2[nH]1	ZINC000587528304	HJ	Annotated	Anodyne	
CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587528476	HJ	Annotated	Anodyne	
CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587528477	HJ	Annotated	Anodyne	
O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1cccc(C(=O)O)c12	ZINC000587528944	HJ	Annotated	Anodyne	
O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1cccc(C(=O)O)c12	ZINC000587528945	HJ	Annotated	Anodyne	
O=C1C[C@@](c2ccc(C3CCCCC3)cc2)(C(O)O)Oc2c1ccc1c2CCCC1	ZINC000587529003	HJ	Annotated	Anodyne	
O=C1C[C@](c2ccc(C3CCCCC3)cc2)(C(O)O)Oc2c1ccc1c2CCCC1	ZINC000587529004	HJ	Annotated	Anodyne	
O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(C(=O)O)cccc12	ZINC000587529100	HJ	Annotated	Anodyne	
O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(C(=O)O)cccc12	ZINC000587529102	HJ	Annotated	Anodyne	
O=C1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(CO)ccc21	ZINC000587529212	HJ	Annotated	Anodyne	
O=C1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(CO)ccc21	ZINC000587529213	HJ	Annotated	Anodyne	
CC(C)(C1=CC(=O)c2ccccc2C1=O)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587529220	HJ	Annotated	Mild	
CC(C)(C1=CC(=O)c2ccccc2C1=O)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587529221	HJ	Annotated	Mild	
O=C(O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1O	ZINC000587529361	HJ	Annotated	Anodyne	
O=C(O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1O	ZINC000587529362	HJ	Annotated	Anodyne	
O=C1C[C@@](c2ccc(Oc3ccccc3)cc2)(C(O)O)Oc2c1ccc1c2CCCC1	ZINC000587529483	HJ	Annotated	Anodyne	
O=C1C[C@](c2ccc(Oc3ccccc3)cc2)(C(O)O)Oc2c1ccc1c2CCCC1	ZINC000587529487	HJ	Annotated	Anodyne	
O=C(O)c1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O	ZINC000587529922	HJ	Annotated	Anodyne	
O=C(O)c1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O	ZINC000587529924	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3)OCC	ZINC000587530121	HJ	Annotated	Reactive	
CCOP(=O)(C[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3)OCC	ZINC000587530136	HJ	Annotated	Reactive	
O=C(O)c1ccc2c(c1)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587530394	HJ	Annotated	Anodyne	
O=C(O)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587530395	HJ	Annotated	Anodyne	
COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1SCC(=O)O	ZINC000587530667	HJ	Annotated	Anodyne	
COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1SCC(=O)O	ZINC000587530670	HJ	Annotated	Anodyne	
O=C(O)CCC(=O)CC[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587530688	HJ	Annotated	Anodyne	
O=C(O)CCC(=O)CC[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587530689	HJ	Annotated	Anodyne	
CC[C@@]1(c2cccc(S(=O)(=O)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587530765	HJ	Annotated	Unstable	
CC[C@]1(c2cccc(S(=O)(=O)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587530769	HJ	Annotated	Unstable	
O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1cc(O)ccc1Oc1cccc(O)c12	ZINC000587530770	HJ	Annotated	Anodyne	
O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1cc(O)ccc1Oc1cccc(O)c12	ZINC000587530773	HJ	Annotated	Anodyne	
O=C1CC2(Oc3c1ccc1c3CCCC1)c1ccc(O)cc1Oc1cc(O)ccc12	ZINC000587530780	HJ	Annotated	Anodyne	
CCS(=O)(=O)c1c(Cl)cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587530782	HJ	Annotated	Anodyne	
CCS(=O)(=O)c1c(Cl)cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587530784	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccc(-c3ccc(S(=O)(=O)O)cc3)o2)Oc2c1ccc1c2CCCC1	ZINC000587530788	HJ	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)Cl)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587530796	HJ	Annotated	Unstable	
O=C1C[C@@H](c2ccc(-c3ccc(S(=O)(=O)O)cc3)o2)Oc2c1ccc1c2CCCC1	ZINC000587530799	HJ	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)Cl)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587530804	HJ	Annotated	Unstable	
CCS(=O)(=O)c1ccc(Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587530851	HJ	Annotated	Anodyne	
CCS(=O)(=O)c1ccc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587530853	HJ	Annotated	Anodyne	
O=C(O)CC[C@]1(CCC(=O)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587530956	HJ	Annotated	Anodyne	
O=C(O)CC[C@@]1(CCC(=O)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587530958	HJ	Annotated	Anodyne	
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2	ZINC000587531037	HJ	Annotated	Unstable	
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2	ZINC000587531046	HJ	Annotated	Unstable	
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2	ZINC000587531049	HJ	Annotated	Unstable	
CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2	ZINC000587531050	HJ	Annotated	Unstable	
CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2	ZINC000587531051	HJ	Annotated	Unstable	
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2	ZINC000587531052	HJ	Annotated	Unstable	
COC(=O)c1cc(Br)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1	ZINC000587531081	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1	ZINC000587531083	HJ	Annotated	Anodyne	
Cc1ccc2c(c1)OC=C(/C=C\C(=O)O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587531106	HJ	Annotated	Anodyne	
Cc1ccc2c(c1)OC=C(/C=C/C(=O)O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587531110	HJ	Annotated	Anodyne	
O=C(O)CC[C@]1(CCC(=O)c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587531111	HJ	Annotated	Anodyne	
Cc1ccc2c(c1)OC=C(/C=C/C(=O)O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587531112	HJ	Annotated	Anodyne	
Cc1ccc2c(c1)OC=C(/C=C\C(=O)O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587531113	HJ	Annotated	Anodyne	
O=C(O)CC[C@@]1(CCC(=O)c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587531116	HJ	Annotated	Anodyne	
O=C1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(CO)cc21	ZINC000587531390	HJ	Annotated	Anodyne	
O=C1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(CO)cc21	ZINC000587531391	HJ	Annotated	Anodyne	
O=C(O)c1ccc([C@@]2(c3cccc(O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587531442	HJ	Annotated	Anodyne	
O=C(O)c1ccc([C@]2(c3cccc(O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587531450	HJ	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587531680	HJ	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587531683	HJ	Annotated	Anodyne	
Cn1c(N)c([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cnc1=S	ZINC000587532007	HJ	Annotated	Anodyne	
Cn1c(N)c([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cnc1=S	ZINC000587532014	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)o1	ZINC000587532214	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)o1	ZINC000587532223	HJ	Annotated	Anodyne	
O=C(O)c1ccccc1[C@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587532264	HJ	Annotated	Anodyne	
O=C(O)c1ccccc1[C@@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587532265	HJ	Annotated	Anodyne	
O=C1C[C@@](c2ccccc2)(c2ccc(O)c(O)c2O)Oc2c1ccc1c2CCCC1	ZINC000587532378	HJ	Annotated	Clean	
O=C1C[C@](c2ccccc2)(c2ccc(O)c(O)c2O)Oc2c1ccc1c2CCCC1	ZINC000587532380	HJ	Annotated	Clean	
O=C1C[C@@]2(CCCc3ccc(S(=O)(=O)Cl)cc32)Oc2c1ccc1c2CCCC1	ZINC000587532448	HJ	Annotated	Unstable	
O=C1C[C@]2(CCCc3ccc(S(=O)(=O)Cl)cc32)Oc2c1ccc1c2CCCC1	ZINC000587532451	HJ	Annotated	Unstable	
Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1	ZINC000587532548	HJ	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1	ZINC000587532551	HJ	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1	ZINC000587532554	HJ	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1	ZINC000587532555	HJ	Annotated	Anodyne	
N#Cc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)s1	ZINC000587532616	HJ	Annotated	Reactive	
N#Cc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)s1	ZINC000587532620	HJ	Annotated	Reactive	
CSc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Nc2ccccc2)n1	ZINC000587532735	HJ	Annotated	Anodyne	
CSc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Nc2ccccc2)n1	ZINC000587532741	HJ	Annotated	Anodyne	
Cn1ccnc1SC[C@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587532864	HJ	Annotated	Anodyne	
Cn1ccnc1SC[C@@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587532871	HJ	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)n2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1	ZINC000587532937	HJ	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)n2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1	ZINC000587532939	HJ	Annotated	Anodyne	
O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1Oc1cc(O)cc(O)c12	ZINC000587532982	HJ	Annotated	Anodyne	
O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1Oc1cc(O)cc(O)c12	ZINC000587532983	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2sc(Br)c3c2OCCO3)Oc2c1ccc1c2CCCC1	ZINC000587533063	HJ	Annotated	Anodyne	
O=C1C[C@H](c2sc(Br)c3c2OCCO3)Oc2c1ccc1c2CCCC1	ZINC000587533064	HJ	Annotated	Anodyne	
O=C(O)CSC[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587533364	HJ	Annotated	Anodyne	
O=C(O)CSC[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587533374	HJ	Annotated	Anodyne	
CC(=O)NCc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)s1	ZINC000587533561	HJ	Annotated	Reactive	
CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)s1	ZINC000587533564	HJ	Annotated	Reactive	
CC(=O)NCc1ccc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)s1	ZINC000587533566	HJ	Annotated	Reactive	
CC(=O)NCc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)s1	ZINC000587533568	HJ	Annotated	Reactive	
COC(=O)c1sccc1O[C@H](C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587533580	HJ	Annotated	Anodyne	
COC(=O)c1sccc1O[C@H](C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587533581	HJ	Annotated	Anodyne	
COC(=O)c1sccc1O[C@@H](C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587533582	HJ	Annotated	Anodyne	
COC(=O)c1sccc1O[C@@H](C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587533584	HJ	Annotated	Anodyne	
CSc1ccc([C@]2(c3[nH]c(O)nc3C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587533773	HJ	Annotated	Anodyne	
CSc1ccc([C@@]2(c3[nH]c(O)nc3C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587533775	HJ	Annotated	Anodyne	
O=C1C[C@@](c2ccc(O)cc2)(c2ccc(O)cc2O)Oc2c1ccc1c2CCCC1	ZINC000587534053	HJ	Annotated	Anodyne	
O=C1C[C@](c2ccc(O)cc2)(c2ccc(O)cc2O)Oc2c1ccc1c2CCCC1	ZINC000587534054	HJ	Annotated	Anodyne	
Nc1ncc([C@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)s1	ZINC000587534551	HJ	Annotated	Anodyne	
Nc1ncc([C@@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)s1	ZINC000587534563	HJ	Annotated	Anodyne	
Cc1sc([C@@]2(CN)CC(=O)c3ccc4c(c3O2)CCCC4)nc1-c1ccccc1	ZINC000587534634	HJ	Annotated	Anodyne	
Cc1sc([C@]2(CN)CC(=O)c3ccc4c(c3O2)CCCC4)nc1-c1ccccc1	ZINC000587534650	HJ	Annotated	Anodyne	
COC(=O)c1cc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc(OC)c2o1	ZINC000587534674	HJ	Annotated	Anodyne	
COC(=O)c1cc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc(OC)c2o1	ZINC000587534676	HJ	Annotated	Anodyne	
CCOC(=O)c1c(N)sc2c1CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587535385	HJ	Annotated	Anodyne	
CCOC(=O)c1c(N)sc2c1CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587535389	HJ	Annotated	Anodyne	
CC1(C)OC[C@H]([C@@H](OCc2ccccc2)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)O1	ZINC000587535550	HJ	Annotated	Anodyne	
CC1(C)OC[C@H]([C@H](OCc2ccccc2)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)O1	ZINC000587535551	HJ	Annotated	Anodyne	
CC1(C)OC[C@H]([C@@H](OCc2ccccc2)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)O1	ZINC000587535552	HJ	Annotated	Anodyne	
CC1(C)OC[C@H]([C@H](OCc2ccccc2)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)O1	ZINC000587535553	HJ	Annotated	Anodyne	
O=C1C[C@H](c2cc(=O)c(OCc3ccccc3)co2)Oc2c1ccc1c2CCCC1	ZINC000587535573	HJ	Annotated	Anodyne	
O=C1C[C@@H](c2cc(=O)c(OCc3ccccc3)co2)Oc2c1ccc1c2CCCC1	ZINC000587535574	HJ	Annotated	Anodyne	
O=C1CCN(c2nc(Cl)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)CC1	ZINC000587535781	HJ	Annotated	Anodyne	
O=C1CCN(c2nc(Cl)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)CC1	ZINC000587535782	HJ	Annotated	Anodyne	
O=C1C[C@]2(CCCc3nc(Br)sc32)Oc2c1ccc1c2CCCC1	ZINC000587535966	HJ	Annotated	Anodyne	
O=C1C[C@@]2(CCCc3nc(Br)sc32)Oc2c1ccc1c2CCCC1	ZINC000587535967	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(C[C@H]2OCCc3ccccc32)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587536861	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(C[C@@H]2OCCc3ccccc32)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587536862	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(C[C@@H]2OCCc3ccccc32)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587536863	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(C[C@H]2OCCc3ccccc32)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587536864	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1	ZINC000587537456	HJ	Annotated	Reactive	
Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1	ZINC000587537457	HJ	Annotated	Reactive	
Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1	ZINC000587537458	HJ	Annotated	Reactive	
Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1	ZINC000587537459	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(CBr)CC2	ZINC000587537513	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(CBr)CC2	ZINC000587537514	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CBr)c1	ZINC000587537619	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CBr)c1	ZINC000587537620	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CBr)c1	ZINC000587537621	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CBr)c1	ZINC000587537622	HJ	Annotated	Reactive	
O=C1CSc2ccc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc2N1	ZINC000587537623	HJ	Annotated	Reactive	
O=C1CSc2ccc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc2N1	ZINC000587537624	HJ	Annotated	Reactive	
CCOC(=O)Nc1snc(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587537645	HJ	Annotated	Anodyne	
CCOC(=O)Nc1snc(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587537646	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1O	ZINC000587537707	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1O	ZINC000587537708	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1O	ZINC000587537709	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1O	ZINC000587537710	HJ	Annotated	Anodyne	
Cc1ccccc1[C@]1(/C=C2/SCC(=O)N2C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587537856	HJ	Annotated	Anodyne	
Cc1ccccc1[C@@]1(/C=C2/SCC(=O)N2C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587537857	HJ	Annotated	Anodyne	
O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(N1CCOCC1)=CSc1ccccc12	ZINC000587537891	HJ	Annotated	Anodyne	
O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(N1CCOCC1)=CSc1ccccc12	ZINC000587537897	HJ	Annotated	Anodyne	
C[C@]1(c2occc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587537912	HJ	Annotated	Anodyne	
C[C@@]1(c2occc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587537915	HJ	Annotated	Anodyne	
C[C@@]1(c2occc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587537916	HJ	Annotated	Anodyne	
C[C@]1(c2occc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587537917	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1	ZINC000587538060	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1	ZINC000587538061	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1	ZINC000587538062	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1	ZINC000587538063	HJ	Annotated	Reactive	
COC(=O)c1sc2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1C	ZINC000587538110	HJ	Annotated	Anodyne	
COC(=O)c1sc2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1C	ZINC000587538111	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1Cc1cccc(Br)c1	ZINC000587538247	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1Cc1cccc(Br)c1	ZINC000587538248	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1Cc1cccc(Br)c1	ZINC000587538249	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1Cc1cccc(Br)c1	ZINC000587538250	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CBr)cc1	ZINC000587538275	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CBr)cc1	ZINC000587538276	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CBr)cc1	ZINC000587538277	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CBr)cc1	ZINC000587538278	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)ccc1Br	ZINC000587538428	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)ccc1Br	ZINC000587538429	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)ccc1Br	ZINC000587538430	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)ccc1Br	ZINC000587538432	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)C1CCCC1	ZINC000587538605	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1CCCC1	ZINC000587538606	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1CCCC1	ZINC000587538607	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)C1CCCC1	ZINC000587538608	HJ	Annotated	Reactive	
Cc1oc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br	ZINC000587538712	HJ	Annotated	Anodyne	
Cc1oc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br	ZINC000587538717	HJ	Annotated	Anodyne	
Cc1oc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br	ZINC000587538720	HJ	Annotated	Anodyne	
Cc1oc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br	ZINC000587538722	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(Br)c1	ZINC000587538833	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(Br)c1	ZINC000587538835	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(Br)c1	ZINC000587538836	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(Br)c1	ZINC000587538838	HJ	Annotated	Anodyne	
N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1	ZINC000587538873	HJ	Annotated	Mild	
N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1	ZINC000587538881	HJ	Annotated	Mild	
N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1	ZINC000587538883	HJ	Annotated	Mild	
N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1	ZINC000587538884	HJ	Annotated	Mild	
COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCSCC1	ZINC000587539004	HJ	Annotated	Anodyne	
COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCSCC1	ZINC000587539005	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Br)c1O	ZINC000587539154	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Br)c1O	ZINC000587539155	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Br)c1O	ZINC000587539157	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Br)c1O	ZINC000587539159	HJ	Annotated	Anodyne	
O=C1C[C@@H](C2=C(c3ccccc3)N3CCN=C3S2)Oc2c1ccc1c2CCCC1	ZINC000587539348	HJ	Annotated	Anodyne	
O=C1C[C@H](C2=C(c3ccccc3)N3CCN=C3S2)Oc2c1ccc1c2CCCC1	ZINC000587539349	HJ	Annotated	Anodyne	
Cc1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br	ZINC000587539473	HJ	Annotated	Anodyne	
Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br	ZINC000587539474	HJ	Annotated	Anodyne	
Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br	ZINC000587539475	HJ	Annotated	Anodyne	
Cc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br	ZINC000587539476	HJ	Annotated	Anodyne	
Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]c1Br	ZINC000587539571	HJ	Annotated	Anodyne	
Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]c1Br	ZINC000587539572	HJ	Annotated	Anodyne	
Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]c1Br	ZINC000587539573	HJ	Annotated	Anodyne	
Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]c1Br	ZINC000587539574	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2CCBr	ZINC000587539782	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2CCBr	ZINC000587539783	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]2CCBr	ZINC000587539864	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2CCBr	ZINC000587539866	HJ	Annotated	Reactive	
COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1	ZINC000587540487	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1	ZINC000587540488	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1	ZINC000587540489	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1	ZINC000587540490	HJ	Annotated	Anodyne	
Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br	ZINC000587540641	HJ	Annotated	Anodyne	
Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br	ZINC000587540642	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2ccnc2)c(Cl)c1	ZINC000587540647	HJ	Annotated	Anodyne	
Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br	ZINC000587540648	HJ	Annotated	Anodyne	
Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br	ZINC000587540649	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2ccnc2)c(Cl)c1	ZINC000587540650	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2ccnc2)c(Cl)c1	ZINC000587540652	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2ccnc2)c(Cl)c1	ZINC000587540654	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)cc(Br)c1	ZINC000587540766	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc(Br)c1	ZINC000587540767	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc(Br)c1	ZINC000587540769	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)cc(Br)c1	ZINC000587540771	HJ	Annotated	Anodyne	
N#Cc1ccc(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587540814	HJ	Annotated	Mild	
N#Cc1ccc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587540815	HJ	Annotated	Mild	
N#Cc1ccc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587540816	HJ	Annotated	Mild	
N#Cc1ccc(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587540820	HJ	Annotated	Mild	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cccc1Br	ZINC000587540881	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cccc1Br	ZINC000587540882	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cccc1Br	ZINC000587540883	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cccc1Br	ZINC000587540884	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587540900	HJ	Annotated	Bother	
C[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587540902	HJ	Annotated	Bother	
C[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587540904	HJ	Annotated	Bother	
C[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587540906	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1O	ZINC000587540930	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1O	ZINC000587540932	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1O	ZINC000587540934	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1O	ZINC000587540935	HJ	Annotated	Anodyne	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1Cl	ZINC000587541015	HJ	Annotated	Anodyne	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1Cl	ZINC000587541016	HJ	Annotated	Anodyne	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1Cl	ZINC000587541017	HJ	Annotated	Anodyne	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1Cl	ZINC000587541018	HJ	Annotated	Anodyne	
C#CCOc1cccc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587541031	HJ	Annotated	Mild	
C#CCOc1cccc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587541032	HJ	Annotated	Mild	
C#CCOc1cccc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587541033	HJ	Annotated	Mild	
C#CCOc1cccc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587541034	HJ	Annotated	Mild	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(O)c1	ZINC000587541133	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(O)c1	ZINC000587541134	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(O)c1	ZINC000587541136	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(O)c1	ZINC000587541137	HJ	Annotated	Anodyne	
CCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C	ZINC000587541247	HJ	Annotated	Reactive	
CCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C	ZINC000587541248	HJ	Annotated	Reactive	
CCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C	ZINC000587541249	HJ	Annotated	Reactive	
CCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C	ZINC000587541250	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O)c1Br	ZINC000587541417	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)c1Br	ZINC000587541418	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)c1Br	ZINC000587541419	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O)c1Br	ZINC000587541420	HJ	Annotated	Anodyne	
N#Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br	ZINC000587541446	HJ	Annotated	Mild	
N#Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br	ZINC000587541448	HJ	Annotated	Mild	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2ccnc2)cc1Cl	ZINC000587541538	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2ccnc2)cc1Cl	ZINC000587541540	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2ccnc2)cc1Cl	ZINC000587541542	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2ccnc2)cc1Cl	ZINC000587541543	HJ	Annotated	Anodyne	
Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1O	ZINC000587541681	HJ	Annotated	Reactive	
Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1O	ZINC000587541682	HJ	Annotated	Reactive	
Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1O	ZINC000587541683	HJ	Annotated	Reactive	
Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1O	ZINC000587541684	HJ	Annotated	Reactive	
N#Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br	ZINC000587541721	HJ	Annotated	Mild	
N#Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br	ZINC000587541723	HJ	Annotated	Mild	
Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1	ZINC000587541817	HJ	Annotated	Anodyne	
Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1	ZINC000587541818	HJ	Annotated	Anodyne	
Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1	ZINC000587541819	HJ	Annotated	Anodyne	
Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1	ZINC000587541820	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCC[C@@H]2Br	ZINC000587541849	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCC[C@H]2Br	ZINC000587541850	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCC[C@H]2Br	ZINC000587541851	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCC[C@@H]2Br	ZINC000587541852	HJ	Annotated	Reactive	
CCOc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587541853	HJ	Annotated	Reactive	
CCOc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587541854	HJ	Annotated	Reactive	
CCOc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587541855	HJ	Annotated	Reactive	
CCOc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587541856	HJ	Annotated	Reactive	
COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1Cl	ZINC000587541904	HJ	Annotated	Anodyne	
COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1Cl	ZINC000587541905	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1Cl	ZINC000587541907	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1Cl	ZINC000587541909	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1ccc(O)cc1	ZINC000587542047	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1ccc(O)cc1	ZINC000587542048	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1ccc(O)cc1	ZINC000587542049	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1ccc(O)cc1	ZINC000587542050	HJ	Annotated	Reactive	
COc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587542094	HJ	Annotated	Reactive	
COc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587542096	HJ	Annotated	Reactive	
COc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587542098	HJ	Annotated	Reactive	
COc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587542100	HJ	Annotated	Reactive	
N#Cc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587542118	HJ	Annotated	Mild	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c[nH]c2ccccc12	ZINC000587542120	HJ	Annotated	Reactive	
N#Cc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587542121	HJ	Annotated	Mild	
N#Cc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587542122	HJ	Annotated	Mild	
N#Cc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587542123	HJ	Annotated	Mild	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c[nH]c2ccccc12	ZINC000587542129	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c[nH]c2ccccc12	ZINC000587542131	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c[nH]c2ccccc12	ZINC000587542133	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)COC2	ZINC000587542172	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)COC2	ZINC000587542180	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)COC2	ZINC000587542182	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)COC2	ZINC000587542184	HJ	Annotated	Reactive	
COc1ccc([C@@]2(CCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587542368	HJ	Annotated	Reactive	
COc1ccc([C@@]2(CCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587542370	HJ	Annotated	Reactive	
COc1ccc([C@]2(CCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587542372	HJ	Annotated	Reactive	
COc1ccc([C@]2(CCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587542374	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1Br	ZINC000587542527	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1Br	ZINC000587542529	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1Br	ZINC000587542530	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1Br	ZINC000587542532	HJ	Annotated	Anodyne	
C[C@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587542740	HJ	Annotated	Bother	
C[C@@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587542742	HJ	Annotated	Bother	
C[C@@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587542744	HJ	Annotated	Bother	
C[C@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587542746	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1C[C@@H]2Br	ZINC000587543212	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1C[C@H]2Br	ZINC000587543215	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1C[C@@H]2Br	ZINC000587543217	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1C[C@H]2Br	ZINC000587543218	HJ	Annotated	Reactive	
C[C@]1(C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587543261	HJ	Annotated	Mild	
C[C@@]1(C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587543262	HJ	Annotated	Mild	
C[C@@]1(C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587543264	HJ	Annotated	Mild	
C[C@]1(C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587543266	HJ	Annotated	Mild	
CN(C)/C=C/[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587543339	HJ	Annotated	Anodyne	
CN(C)/C=C\[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587543341	HJ	Annotated	Anodyne	
CN(C)/C=C/[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587543342	HJ	Annotated	Anodyne	
CN(C)/C=C\[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587543343	HJ	Annotated	Anodyne	
C[C@]1(c2ncc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587543398	HJ	Annotated	Anodyne	
C[C@@]1(c2ncc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587543413	HJ	Annotated	Anodyne	
C[C@@]1(c2ncc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587543415	HJ	Annotated	Anodyne	
C[C@]1(c2ncc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587543419	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(=O)C(F)(F)F)cc1	ZINC000587543503	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(=O)C(F)(F)F)cc1	ZINC000587543506	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(=O)C(F)(F)F)cc1	ZINC000587543508	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(=O)C(F)(F)F)cc1	ZINC000587543510	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)c1ccc(Cl)c(Cl)c1	ZINC000587543518	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)c1ccc(Cl)c(Cl)c1	ZINC000587543523	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)c1ccc(Cl)c(Cl)c1	ZINC000587543526	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)c1ccc(Cl)c(Cl)c1	ZINC000587543529	HJ	Annotated	Anodyne	
C[C@H](Cl)[C@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587543830	HJ	Annotated	Reactive	
C[C@H](Cl)[C@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587543831	HJ	Annotated	Reactive	
C[C@H](Cl)[C@@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587543832	HJ	Annotated	Reactive	
C[C@H](Cl)[C@@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587543833	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)CCC2	ZINC000587543854	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)CCC2	ZINC000587543855	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)CCC2	ZINC000587543856	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)CCC2	ZINC000587543857	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(C(F)(F)F)c1	ZINC000587544008	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(C(F)(F)F)c1	ZINC000587544010	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(C(F)(F)F)c1	ZINC000587544011	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(C(F)(F)F)c1	ZINC000587544014	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(O)c(CCCl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587544186	HJ	Annotated	Reactive	
C[C@]1(c2ccc(O)c(CCCl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587544188	HJ	Annotated	Reactive	
C[C@@]1(c2ccc(O)c(CCCl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587544190	HJ	Annotated	Reactive	
C[C@@]1(c2ccc(O)c(CCCl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587544192	HJ	Annotated	Reactive	
Cc1cc(Br)cnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587544278	HJ	Annotated	Anodyne	
Cc1cc(Br)cnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587544279	HJ	Annotated	Anodyne	
Cc1cc(Br)cnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587544281	HJ	Annotated	Anodyne	
Cc1cc(Br)cnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587544283	HJ	Annotated	Anodyne	
Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ncc1Br	ZINC000587544366	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ncc1Br	ZINC000587544367	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ncc1Br	ZINC000587544368	HJ	Annotated	Anodyne	
Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ncc1Br	ZINC000587544369	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cccc2cc[nH]c12	ZINC000587544578	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cccc2cc[nH]c12	ZINC000587544579	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cccc2cc[nH]c12	ZINC000587544580	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cccc2cc[nH]c12	ZINC000587544581	HJ	Annotated	Reactive	
C[C@]1(c2ccc(O)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587544736	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(O)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587544740	HJ	Annotated	Anodyne	
C#CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl	ZINC000587544760	HJ	Annotated	Mild	
C#CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl	ZINC000587544761	HJ	Annotated	Mild	
C#CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl	ZINC000587544762	HJ	Annotated	Mild	
C#CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl	ZINC000587544763	HJ	Annotated	Mild	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Br)ccc12	ZINC000587544916	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Br)ccc12	ZINC000587544918	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Br)ccc12	ZINC000587544919	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Br)ccc12	ZINC000587544921	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(O)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587545077	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(O)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587545080	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2cccn2)c(Cl)c1	ZINC000587545319	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2cccn2)c(Cl)c1	ZINC000587545321	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2cccn2)c(Cl)c1	ZINC000587545322	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2cccn2)c(Cl)c1	ZINC000587545324	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12Cc1ccc(Br)cc1C2	ZINC000587545446	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12Cc1ccc(Br)cc1C2	ZINC000587545447	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12Cc1ccc(Br)cc1C2	ZINC000587545448	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12Cc1ccc(Br)cc1C2	ZINC000587545449	HJ	Annotated	Anodyne	
CN(CCCl)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587545575	HJ	Annotated	Reactive	
CN(CCCl)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587545582	HJ	Annotated	Reactive	
CN(CCCl)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587545584	HJ	Annotated	Reactive	
CN(CCCl)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587545586	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1C(F)(F)F	ZINC000587545681	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1C(F)(F)F	ZINC000587545682	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1C(F)(F)F	ZINC000587545683	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1C(F)(F)F	ZINC000587545684	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(C(F)(F)F)c1O	ZINC000587545815	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(C(F)(F)F)c1O	ZINC000587545816	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(C(F)(F)F)c1O	ZINC000587545817	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(C(F)(F)F)c1O	ZINC000587545818	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1	ZINC000587545847	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1	ZINC000587545848	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1	ZINC000587545849	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1	ZINC000587545850	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c(Br)cccc12	ZINC000587546122	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c(Br)cccc12	ZINC000587546124	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c(Br)cccc12	ZINC000587546126	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c(Br)cccc12	ZINC000587546129	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ncc[nH]1	ZINC000587546143	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ncc[nH]1	ZINC000587546147	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ncc[nH]1	ZINC000587546148	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ncc[nH]1	ZINC000587546149	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COCC(F)(F)F)o1	ZINC000587546458	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COCC(F)(F)F)o1	ZINC000587546462	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COCC(F)(F)F)o1	ZINC000587546464	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COCC(F)(F)F)o1	ZINC000587546466	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cccc(Br)c12	ZINC000587546512	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cccc(Br)c12	ZINC000587546513	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cccc(Br)c12	ZINC000587546514	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cccc(Br)c12	ZINC000587546515	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2cccc(Cl)c2)c1	ZINC000587546792	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2cccc(Cl)c2)c1	ZINC000587546793	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2cccc(Cl)c2)c1	ZINC000587546794	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2cccc(Cl)c2)c1	ZINC000587546795	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(CC(F)(F)F)s1	ZINC000587546837	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(CC(F)(F)F)s1	ZINC000587546840	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(CC(F)(F)F)s1	ZINC000587546841	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(CC(F)(F)F)s1	ZINC000587546842	HJ	Annotated	Anodyne	
C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587546908	HJ	Annotated	Bother	
C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587546909	HJ	Annotated	Bother	
C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587546911	HJ	Annotated	Bother	
C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587546913	HJ	Annotated	Bother	
C[C@]1(c2ccc(C(F)(F)F)cc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587547071	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(C(F)(F)F)cc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587547074	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(C(F)(F)F)cc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587547075	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(C(F)(F)F)cc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587547076	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(Br)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587547136	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(Br)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587547137	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(Br)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587547139	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(Br)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587547141	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccccc2Cl)c1	ZINC000587547186	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccccc2Cl)c1	ZINC000587547187	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccccc2Cl)c1	ZINC000587547190	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccccc2Cl)c1	ZINC000587547192	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587547332	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587547340	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587547343	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587547345	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2[nH]c(O)cc2c1	ZINC000587547362	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2[nH]c(O)cc2c1	ZINC000587547363	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2[nH]c(O)cc2c1	ZINC000587547364	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2[nH]c(O)cc2c1	ZINC000587547365	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2cccn2)cc1Cl	ZINC000587547419	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2cccn2)cc1Cl	ZINC000587547421	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2cccn2)cc1Cl	ZINC000587547423	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2cccn2)cc1Cl	ZINC000587547425	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)c1Cl	ZINC000587547475	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)c1Cl	ZINC000587547480	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)c1Cl	ZINC000587547482	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)c1Cl	ZINC000587547484	HJ	Annotated	Anodyne	
CN(CC(F)(F)F)C1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587547569	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587547576	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587547578	HJ	Annotated	Anodyne	
CN(CC(F)(F)F)C1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587547579	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587547580	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587547583	HJ	Annotated	Anodyne	
COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1OC	ZINC000587547832	HJ	Annotated	Anodyne	
COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1OC	ZINC000587547834	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1OC	ZINC000587547836	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1OC	ZINC000587547837	HJ	Annotated	Anodyne	
COc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	ZINC000587547881	HJ	Annotated	Anodyne	
COc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	ZINC000587547884	HJ	Annotated	Anodyne	
COc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	ZINC000587547886	HJ	Annotated	Anodyne	
COc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	ZINC000587547888	HJ	Annotated	Anodyne	
C[C@]1(c2cc(Cl)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587547900	HJ	Annotated	Bother	
C[C@@]1(c2cc(Cl)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587547901	HJ	Annotated	Bother	
C[C@@]1(c2cc(Cl)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587547902	HJ	Annotated	Bother	
C[C@]1(c2cc(Cl)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587547903	HJ	Annotated	Bother	
CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1O	ZINC000587547946	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1O	ZINC000587547949	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1O	ZINC000587547952	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1O	ZINC000587547955	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12Cc1cccc(Br)c1C2	ZINC000587548149	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12Cc1cccc(Br)c1C2	ZINC000587548150	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12Cc1cccc(Br)c1C2	ZINC000587548151	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12Cc1cccc(Br)c1C2	ZINC000587548152	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccc(Br)cc1	ZINC000587548177	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1Cc1ccc(Br)cc1	ZINC000587548178	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1Cc1ccc(Br)cc1	ZINC000587548179	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccc(Br)cc1	ZINC000587548180	HJ	Annotated	Anodyne	
C[C@]1(c2cc(Cl)cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587548297	HJ	Annotated	Bother	
C[C@@]1(c2cc(Cl)cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587548298	HJ	Annotated	Bother	
C[C@@]1(c2cc(Cl)cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587548300	HJ	Annotated	Bother	
C[C@]1(c2cc(Cl)cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587548302	HJ	Annotated	Bother	
COC(=O)c1ccc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587548368	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587548369	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587548370	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587548371	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(Br)cc12	ZINC000587548372	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(Br)cc12	ZINC000587548375	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(Br)cc12	ZINC000587548378	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(Br)cc12	ZINC000587548380	HJ	Annotated	Anodyne	
Cc1c(Br)cncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587548395	HJ	Annotated	Anodyne	
Cc1c(Br)cncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587548396	HJ	Annotated	Anodyne	
Cc1c(Br)cncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587548397	HJ	Annotated	Anodyne	
Cc1c(Br)cncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587548398	HJ	Annotated	Anodyne	
CN(C)/C=C\[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587548583	HJ	Annotated	Anodyne	
CN(C)/C=C/[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587548586	HJ	Annotated	Anodyne	
CN(C)/C=C\[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587548589	HJ	Annotated	Anodyne	
CN(C)/C=C/[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587548592	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)c(Cl)cc(Cl)c1O	ZINC000587548733	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)c(Cl)cc(Cl)c1O	ZINC000587548741	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)c(Cl)cc(Cl)c1O	ZINC000587548743	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)c(Cl)cc(Cl)c1O	ZINC000587548746	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl	ZINC000587548749	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl	ZINC000587548752	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl	ZINC000587548755	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl	ZINC000587548757	HJ	Annotated	Anodyne	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OC	ZINC000587549001	HJ	Annotated	Anodyne	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OC	ZINC000587549003	HJ	Annotated	Anodyne	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OC	ZINC000587549007	HJ	Annotated	Anodyne	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OC	ZINC000587549011	HJ	Annotated	Anodyne	
C[C@]1(c2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587549238	HJ	Annotated	Bother	
C[C@@]1(c2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587549240	HJ	Annotated	Bother	
C[C@@]1(c2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587549242	HJ	Annotated	Bother	
C[C@]1(c2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587549244	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(CCl)c2c(c1)COCO2	ZINC000587549404	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(CCl)c2c(c1)COCO2	ZINC000587549406	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(CCl)c2c(c1)COCO2	ZINC000587549407	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(CCl)c2c(c1)COCO2	ZINC000587549410	HJ	Annotated	Reactive	
CCOC(=O)c1c(Cl)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587549412	HJ	Annotated	Anodyne	
CCOC(=O)c1c(Cl)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587549414	HJ	Annotated	Anodyne	
CCOC(=O)c1c(Cl)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587549415	HJ	Annotated	Anodyne	
Cc1nc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587549416	HJ	Annotated	Anodyne	
CCOC(=O)c1c(Cl)cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587549418	HJ	Annotated	Anodyne	
Cc1nc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587549419	HJ	Annotated	Anodyne	
Cc1nc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587549420	HJ	Annotated	Anodyne	
Cc1nc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587549421	HJ	Annotated	Anodyne	
C[C@]1(c2ncccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587549491	HJ	Annotated	Anodyne	
C[C@@]1(c2ncccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587549495	HJ	Annotated	Anodyne	
C[C@@]1(c2ncccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587549496	HJ	Annotated	Anodyne	
C[C@]1(c2ncccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587549499	HJ	Annotated	Anodyne	
N#CCOc1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587549640	HJ	Annotated	Mild	
N#CCOc1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587549641	HJ	Annotated	Mild	
N#CCOc1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587549642	HJ	Annotated	Mild	
N#CCOc1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587549643	HJ	Annotated	Mild	
COc1cc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC	ZINC000587549652	HJ	Annotated	Anodyne	
COc1cc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC	ZINC000587549653	HJ	Annotated	Anodyne	
COc1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC	ZINC000587549654	HJ	Annotated	Anodyne	
COc1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC	ZINC000587549655	HJ	Annotated	Anodyne	
C[C@]1(CC(=O)Nc2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587549704	HJ	Annotated	Anodyne	
C[C@]1(CC(=O)Nc2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587549705	HJ	Annotated	Anodyne	
C[C@@]1(CC(=O)Nc2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587549706	HJ	Annotated	Anodyne	
C[C@@]1(CC(=O)Nc2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587549707	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(O)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587549727	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(O)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587549730	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(O)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587549733	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(O)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587549735	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C(F)(F)C(F)(F)C(F)(F)F	ZINC000587549749	HJ	Annotated	Mild	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C(F)(F)C(F)(F)C(F)(F)F	ZINC000587549754	HJ	Annotated	Mild	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C(F)(F)C(F)(F)C(F)(F)F	ZINC000587549755	HJ	Annotated	Mild	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C(F)(F)C(F)(F)C(F)(F)F	ZINC000587549756	HJ	Annotated	Mild	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)cc1O	ZINC000587549777	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)cc1O	ZINC000587549779	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)cc1O	ZINC000587549781	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)cc1O	ZINC000587549783	HJ	Annotated	Anodyne	
Cc1cc(Br)ncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587549851	HJ	Annotated	Anodyne	
Cc1cc(Br)ncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587549853	HJ	Annotated	Anodyne	
Cc1cc(Br)ncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587549854	HJ	Annotated	Anodyne	
Cc1cc(Br)ncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587549856	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)cc(C(F)(F)F)c1	ZINC000587549863	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc(C(F)(F)F)c1	ZINC000587549866	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc(C(F)(F)F)c1	ZINC000587549867	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)cc(C(F)(F)F)c1	ZINC000587549869	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc(Cl)cc2)no1	ZINC000587550212	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc(Cl)cc2)no1	ZINC000587550213	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc(Cl)cc2)no1	ZINC000587550214	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc(Cl)cc2)no1	ZINC000587550215	HJ	Annotated	Anodyne	
CN(C)/C=C(\c1ccc(Cl)cc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587550270	HJ	Annotated	Anodyne	
CN(C)/C=C(/c1ccc(Cl)cc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587550271	HJ	Annotated	Anodyne	
CN(C)/C=C(\c1ccc(Cl)cc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587550272	HJ	Annotated	Anodyne	
CN(C)/C=C(/c1ccc(Cl)cc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587550273	HJ	Annotated	Anodyne	
C[C@@]1(c2cc(Cl)cnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587550414	HJ	Annotated	Anodyne	
C[C@]1(c2cc(Cl)cnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587550415	HJ	Annotated	Anodyne	
C[C@]1(c2cc(Cl)cnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587550416	HJ	Annotated	Anodyne	
C[C@@]1(c2cc(Cl)cnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587550417	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)[nH]c2ccc(Cl)cc12	ZINC000587550458	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)[nH]c2ccc(Cl)cc12	ZINC000587550459	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)[nH]c2ccc(Cl)cc12	ZINC000587550460	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)[nH]c2ccc(Cl)cc12	ZINC000587550461	HJ	Annotated	Anodyne	
Cc1cc(Cl)c2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2c1	ZINC000587550478	HJ	Annotated	Anodyne	
Cc1cc(Cl)c2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2c1	ZINC000587550488	HJ	Annotated	Anodyne	
Cc1cc(Cl)c2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2c1	ZINC000587550490	HJ	Annotated	Anodyne	
Cc1cc(Cl)c2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2c1	ZINC000587550491	HJ	Annotated	Anodyne	
O=C(O)CC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587550693	HJ	Annotated	Anodyne	
O=C(O)CC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587550695	HJ	Annotated	Anodyne	
O=C(O)CC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587550696	HJ	Annotated	Anodyne	
O=C(O)CC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587550698	HJ	Annotated	Anodyne	
C#CCOc1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587550757	HJ	Annotated	Mild	
C#CCOc1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587550758	HJ	Annotated	Mild	
C#CCOc1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587550759	HJ	Annotated	Mild	
C#CCOc1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587550760	HJ	Annotated	Mild	
CN(C)/C=C(\c1cccc(Cl)c1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587550765	HJ	Annotated	Anodyne	
CN(C)/C=C(/c1cccc(Cl)c1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587550767	HJ	Annotated	Anodyne	
CN(C)/C=C(\c1cccc(Cl)c1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587550771	HJ	Annotated	Anodyne	
CN(C)/C=C(/c1cccc(Cl)c1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587550772	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587550809	HJ	Annotated	Bother	
C[C@@]1(c2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587550810	HJ	Annotated	Bother	
C[C@@]1(c2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587550812	HJ	Annotated	Bother	
C[C@]1(c2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587550814	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1coc2ccc(Cl)cc2c1=O	ZINC000587550838	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1coc2ccc(Cl)cc2c1=O	ZINC000587550839	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1coc2ccc(Cl)cc2c1=O	ZINC000587550840	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1coc2ccc(Cl)cc2c1=O	ZINC000587550841	HJ	Annotated	Anodyne	
C[C@@]1(c2c(Cl)nc3ccccn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587550866	HJ	Annotated	Anodyne	
C[C@]1(c2c(Cl)nc3ccccn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587550867	HJ	Annotated	Anodyne	
C[C@@]1(c2c(Cl)nc3ccccn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587550868	HJ	Annotated	Anodyne	
C[C@]1(c2c(Cl)nc3ccccn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587550869	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(Cl)cn1	ZINC000587550878	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(Cl)cn1	ZINC000587550879	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Cl)cn1	ZINC000587550880	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Cl)cn1	ZINC000587550881	HJ	Annotated	Anodyne	
C[C@]1(C(F)(F)[C@H](F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587550928	HJ	Annotated	Anodyne	
C[C@]1(C(F)(F)[C@@H](F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587550933	HJ	Annotated	Anodyne	
C[C@]1(C(F)(F)[C@H](F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587550935	HJ	Annotated	Anodyne	
C[C@]1(C(F)(F)[C@@H](F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587550936	HJ	Annotated	Anodyne	
C[C@@]1(c2c(Cl)ccnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587551136	HJ	Annotated	Anodyne	
C[C@]1(c2c(Cl)ccnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587551137	HJ	Annotated	Anodyne	
C[C@]1(c2c(Cl)ccnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587551138	HJ	Annotated	Anodyne	
C[C@@]1(c2c(Cl)ccnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587551139	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccc(Cl)cc2)c1	ZINC000587551445	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccc(Cl)cc2)c1	ZINC000587551446	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccc(Cl)cc2)c1	ZINC000587551447	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccc(Cl)cc2)c1	ZINC000587551448	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c2c(c1)OCCCO2	ZINC000587551501	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c2c(c1)OCCCO2	ZINC000587551502	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c2c(c1)OCCCO2	ZINC000587551503	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c2c(c1)OCCCO2	ZINC000587551504	HJ	Annotated	Anodyne	
C[C@@]1(c2cnc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587551529	HJ	Annotated	Anodyne	
C[C@]1(c2cnc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587551530	HJ	Annotated	Anodyne	
C[C@]1(c2cnc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587551531	HJ	Annotated	Anodyne	
C[C@@]1(c2cnc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587551532	HJ	Annotated	Anodyne	
Cc1nn(CC(C)C)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587551557	HJ	Annotated	Anodyne	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587551558	HJ	Annotated	Anodyne	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587551559	HJ	Annotated	Anodyne	
Cc1nn(CC(C)C)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587551560	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2c1OCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587551589	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2c1OCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587551590	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2c1OCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587551591	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2c1OCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587551592	HJ	Annotated	Anodyne	
COc1ccc2c(c1Cl)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587551681	HJ	Annotated	Anodyne	
COc1ccc2c(c1Cl)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587551682	HJ	Annotated	Anodyne	
COc1ccc2c(c1Cl)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587551683	HJ	Annotated	Anodyne	
COc1ccc2c(c1Cl)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587551684	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587551685	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587551686	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587551687	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587551688	HJ	Annotated	Anodyne	
N#CC1=COc2ccc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587551735	HJ	Annotated	Reactive	
N#CC1=COc2ccc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587551736	HJ	Annotated	Reactive	
N#CC1=COc2ccc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587551737	HJ	Annotated	Reactive	
N#CC1=COc2ccc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587551738	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc2c1OCOC2	ZINC000587551739	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc2c1OCOC2	ZINC000587551740	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc2c1OCOC2	ZINC000587551741	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc2c1OCOC2	ZINC000587551742	HJ	Annotated	Anodyne	
Cn1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2cc(Cl)ccc21	ZINC000587551805	HJ	Annotated	Anodyne	
Cn1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2cc(Cl)ccc21	ZINC000587551806	HJ	Annotated	Anodyne	
Cn1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2cc(Cl)ccc21	ZINC000587551807	HJ	Annotated	Anodyne	
Cn1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2cc(Cl)ccc21	ZINC000587551808	HJ	Annotated	Anodyne	
COc1c(Cl)ncc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587551849	HJ	Annotated	Anodyne	
COc1c(Cl)ncc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587551850	HJ	Annotated	Anodyne	
COc1c(Cl)ncc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587551851	HJ	Annotated	Anodyne	
COc1c(Cl)ncc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587551852	HJ	Annotated	Anodyne	
Cc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1	ZINC000587552015	HJ	Annotated	Anodyne	
Cc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1	ZINC000587552016	HJ	Annotated	Anodyne	
Cc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1	ZINC000587552017	HJ	Annotated	Anodyne	
Cc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1	ZINC000587552018	HJ	Annotated	Anodyne	
Cc1nc2ccc(Cl)cn2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587552041	HJ	Annotated	Anodyne	
Cc1nc2ccc(Cl)cn2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587552042	HJ	Annotated	Anodyne	
Cc1nc2ccc(Cl)cn2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587552043	HJ	Annotated	Anodyne	
Cc1nc2ccc(Cl)cn2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587552044	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)[nH]c2cccc(Cl)c12	ZINC000587552173	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)[nH]c2cccc(Cl)c12	ZINC000587552174	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)[nH]c2cccc(Cl)c12	ZINC000587552175	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)[nH]c2cccc(Cl)c12	ZINC000587552176	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c2c(c1)OCCO2	ZINC000587552177	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c2c(c1)OCCO2	ZINC000587552178	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c2c(c1)OCCO2	ZINC000587552179	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c2c(c1)OCCO2	ZINC000587552180	HJ	Annotated	Anodyne	
Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Cl)nccc21	ZINC000587552297	HJ	Annotated	Anodyne	
Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Cl)nccc21	ZINC000587552298	HJ	Annotated	Anodyne	
Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Cl)nccc21	ZINC000587552299	HJ	Annotated	Anodyne	
Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Cl)nccc21	ZINC000587552300	HJ	Annotated	Anodyne	
Cn1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccc(Cl)cc21	ZINC000587552341	HJ	Annotated	Anodyne	
Cn1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccc(Cl)cc21	ZINC000587552342	HJ	Annotated	Anodyne	
Cn1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccc(Cl)cc21	ZINC000587552343	HJ	Annotated	Anodyne	
Cn1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccc(Cl)cc21	ZINC000587552344	HJ	Annotated	Anodyne	
COc1ccc(OC(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587552561	HJ	Annotated	Anodyne	
COc1ccc(OC(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587552562	HJ	Annotated	Anodyne	
COc1ccc(OC(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587552563	HJ	Annotated	Anodyne	
COc1ccc(OC(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587552564	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2)c(F)c1	ZINC000587552610	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2)c(F)c1	ZINC000587552611	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCC2)c(F)c1	ZINC000587552612	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCC2)c(F)c1	ZINC000587552613	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OC(F)(F)F	ZINC000587552676	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OC(F)(F)F	ZINC000587552677	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OC(F)(F)F	ZINC000587552678	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OC(F)(F)F	ZINC000587552679	HJ	Annotated	Anodyne	
Cc1nc(C(F)(F)F)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587552690	HJ	Annotated	Anodyne	
Cc1nc(C(F)(F)F)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587552691	HJ	Annotated	Anodyne	
Cc1nc(C(F)(F)F)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587552692	HJ	Annotated	Anodyne	
Cc1nc(C(F)(F)F)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587552693	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1OC(F)F	ZINC000587552694	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1OC(F)F	ZINC000587552695	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1OC(F)F	ZINC000587552697	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1OC(F)F	ZINC000587552698	HJ	Annotated	Anodyne	
COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC(F)F)c1	ZINC000587552727	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC(F)F)c1	ZINC000587552728	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC(F)F)c1	ZINC000587552729	HJ	Annotated	Anodyne	
COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC(F)F)c1	ZINC000587552730	HJ	Annotated	Anodyne	
Cc1cc(C(F)(F)F)ncc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587552731	HJ	Annotated	Anodyne	
Cc1cc(C(F)(F)F)ncc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587552732	HJ	Annotated	Anodyne	
Cc1cc(C(F)(F)F)ncc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587552733	HJ	Annotated	Anodyne	
Cc1cc(C(F)(F)F)ncc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587552735	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccnc1Cl	ZINC000587552760	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cccnc1Cl	ZINC000587552761	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccnc1Cl	ZINC000587552762	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cccnc1Cl	ZINC000587552763	HJ	Annotated	Anodyne	
Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccc(Cl)cc21	ZINC000587552764	HJ	Annotated	Anodyne	
Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccc(Cl)cc21	ZINC000587552765	HJ	Annotated	Anodyne	
Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccc(Cl)cc21	ZINC000587552766	HJ	Annotated	Anodyne	
Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccc(Cl)cc21	ZINC000587552767	HJ	Annotated	Anodyne	
N#CC[C@]1(c2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587552891	HJ	Annotated	Mild	
N#CC[C@@]1(c2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587552904	HJ	Annotated	Mild	
N#CC[C@]1(c2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587552967	HJ	Annotated	Mild	
N#CC[C@@]1(c2ccc(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587552968	HJ	Annotated	Mild	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)F)c(F)c1	ZINC000587553039	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)F)c(F)c1	ZINC000587553040	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)F)c(F)c1	ZINC000587553041	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)F)c(F)c1	ZINC000587553042	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OC(F)(F)F)c1O	ZINC000587553076	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC(F)(F)F)c1O	ZINC000587553078	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC(F)(F)F)c1O	ZINC000587553079	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OC(F)(F)F)c1O	ZINC000587553080	HJ	Annotated	Anodyne	
Cc1sc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1C(F)(F)F	ZINC000587553091	HJ	Annotated	Anodyne	
Cc1sc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1C(F)(F)F	ZINC000587553092	HJ	Annotated	Anodyne	
Cc1sc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1C(F)(F)F	ZINC000587553093	HJ	Annotated	Anodyne	
Cc1sc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1C(F)(F)F	ZINC000587553094	HJ	Annotated	Anodyne	
C[C@]1(CC(=O)Nc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587553182	HJ	Annotated	Anodyne	
C[C@]1(CC(=O)Nc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587553184	HJ	Annotated	Anodyne	
C[C@@]1(CC(=O)Nc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587553185	HJ	Annotated	Anodyne	
C[C@@]1(CC(=O)Nc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587553186	HJ	Annotated	Anodyne	
Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2cc(Cl)ccc21	ZINC000587553196	HJ	Annotated	Anodyne	
Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2cc(Cl)ccc21	ZINC000587553197	HJ	Annotated	Anodyne	
Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2cc(Cl)ccc21	ZINC000587553199	HJ	Annotated	Anodyne	
Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2cc(Cl)ccc21	ZINC000587553201	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)nc(Cl)nc1Cl	ZINC000587553222	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)nc(Cl)nc1Cl	ZINC000587553224	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)nc(Cl)nc1Cl	ZINC000587553225	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)nc(Cl)nc1Cl	ZINC000587553226	HJ	Annotated	Anodyne	
N#CC[C@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587553513	HJ	Annotated	Mild	
N#CC[C@@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587553520	HJ	Annotated	Mild	
N#CC[C@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587553523	HJ	Annotated	Mild	
N#CC[C@@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587553524	HJ	Annotated	Mild	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)c(F)c(F)c(F)c1F	ZINC000587553604	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)c(F)c(F)c(F)c1F	ZINC000587553613	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)c(F)c(F)c(F)c1F	ZINC000587553614	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)c(F)c(F)c(F)c1F	ZINC000587553616	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(C(F)(F)F)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587553619	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(C(F)(F)F)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587553621	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(C(F)(F)F)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587553623	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(C(F)(F)F)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587553624	HJ	Annotated	Anodyne	
Cc1ccc(Cl)c2c1[C@@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587553752	HJ	Annotated	Anodyne	
Cc1ccc(Cl)c2c1[C@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587553753	HJ	Annotated	Anodyne	
Cc1ccc(Cl)c2c1[C@@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587553754	HJ	Annotated	Anodyne	
Cc1ccc(Cl)c2c1[C@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587553755	HJ	Annotated	Anodyne	
C[C@]1(c2cnc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587553815	HJ	Annotated	Anodyne	
C[C@@]1(c2cnc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587553819	HJ	Annotated	Anodyne	
C[C@@]1(c2cnc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587553822	HJ	Annotated	Anodyne	
C[C@]1(c2cnc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587553823	HJ	Annotated	Anodyne	
N#CC[C@]1(c2ccc(F)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587553890	HJ	Annotated	Mild	
N#CC[C@@]1(c2ccc(F)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587553892	HJ	Annotated	Mild	
N#CC[C@]1(c2ccc(F)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587553898	HJ	Annotated	Mild	
N#CC[C@@]1(c2ccc(F)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587553901	HJ	Annotated	Mild	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(N2CCCC2)c1	ZINC000587553945	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(N2CCCC2)c1	ZINC000587553947	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(N2CCCC2)c1	ZINC000587553949	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(N2CCCC2)c1	ZINC000587553951	HJ	Annotated	Anodyne	
C[C@@]1(c2cc(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587553962	HJ	Annotated	Anodyne	
C[C@]1(c2cc(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587553966	HJ	Annotated	Anodyne	
C[C@@]1(c2cc(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587553967	HJ	Annotated	Anodyne	
C[C@]1(c2cc(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587553968	HJ	Annotated	Anodyne	
C[C@@]1(c2c(F)cccc2-n2cccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587554037	HJ	Annotated	Anodyne	
C[C@@]1(c2c(F)cccc2-n2cccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587554039	HJ	Annotated	Anodyne	
C[C@]1(c2c(F)cccc2-n2cccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587554041	HJ	Annotated	Anodyne	
C[C@]1(c2c(F)cccc2-n2cccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587554042	HJ	Annotated	Anodyne	
C[C@@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587554078	HJ	Annotated	Anodyne	
C[C@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587554079	HJ	Annotated	Anodyne	
C[C@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587554080	HJ	Annotated	Anodyne	
C[C@@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587554081	HJ	Annotated	Anodyne	
Cn1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Cl)cccc21	ZINC000587554240	HJ	Annotated	Anodyne	
Cn1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Cl)cccc21	ZINC000587554242	HJ	Annotated	Anodyne	
Cn1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Cl)cccc21	ZINC000587554245	HJ	Annotated	Anodyne	
Cn1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Cl)cccc21	ZINC000587554246	HJ	Annotated	Anodyne	
N#CC[C@]1(c2cccc(OC(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587554326	HJ	Annotated	Mild	
N#CC[C@@]1(c2cccc(OC(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587554329	HJ	Annotated	Mild	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cc(F)ccc1F	ZINC000587554331	HJ	Annotated	Reactive	
N#CC[C@]1(c2cccc(OC(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587554332	HJ	Annotated	Mild	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cc(F)ccc1F	ZINC000587554335	HJ	Annotated	Reactive	
N#CC[C@@]1(c2cccc(OC(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587554336	HJ	Annotated	Mild	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cc(F)ccc1F	ZINC000587554339	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cc(F)ccc1F	ZINC000587554341	HJ	Annotated	Reactive	
C[C@@]1(c2c[nH]c3nccc(Cl)c23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587554396	HJ	Annotated	Anodyne	
C[C@@]1(c2c[nH]c3nccc(Cl)c23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587554398	HJ	Annotated	Anodyne	
C[C@]1(c2c[nH]c3nccc(Cl)c23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587554399	HJ	Annotated	Anodyne	
C[C@]1(c2c[nH]c3nccc(Cl)c23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587554401	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1F	ZINC000587554513	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1F	ZINC000587554520	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1F	ZINC000587554521	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1F	ZINC000587554522	HJ	Annotated	Anodyne	
C[C@]1(c2ccc3c(c2)OC(F)(F)O3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587554569	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc3c(c2)OC(F)(F)O3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587554575	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc3c(c2)OC(F)(F)O3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587554577	HJ	Annotated	Anodyne	
C[C@]1(c2ccc3c(c2)OC(F)(F)O3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587554579	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)F)cc1F	ZINC000587554617	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)F)cc1F	ZINC000587554618	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)F)cc1F	ZINC000587554619	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)F)cc1F	ZINC000587554620	HJ	Annotated	Anodyne	
CC[C@]1(c2cc(F)c(OC)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587554686	HJ	Annotated	Anodyne	
CC[C@@]1(c2cc(F)c(OC)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587554687	HJ	Annotated	Anodyne	
CC[C@]1(c2cc(F)c(OC)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587554688	HJ	Annotated	Anodyne	
CC[C@@]1(c2cc(F)c(OC)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587554689	HJ	Annotated	Anodyne	
C[C@]1(c2ccnc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587554759	HJ	Annotated	Anodyne	
C[C@@]1(c2ccnc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587554760	HJ	Annotated	Anodyne	
C[C@@]1(c2ccnc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587554762	HJ	Annotated	Anodyne	
C[C@]1(c2ccnc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587554764	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(COC(F)(F)F)c1ccccc1	ZINC000587554766	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(COC(F)(F)F)c1ccccc1	ZINC000587554768	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(COC(F)(F)F)c1ccccc1	ZINC000587554771	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(COC(F)(F)F)c1ccccc1	ZINC000587554772	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F	ZINC000587554871	HJ	Annotated	Reactive	
COc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F	ZINC000587554877	HJ	Annotated	Reactive	
COc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F	ZINC000587554879	HJ	Annotated	Reactive	
COc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F	ZINC000587554880	HJ	Annotated	Reactive	
COc1cc2c(cc1Cl)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587554930	HJ	Annotated	Anodyne	
COc1cc2c(cc1Cl)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587554934	HJ	Annotated	Anodyne	
COc1cc2c(cc1Cl)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587554938	HJ	Annotated	Anodyne	
COc1cc2c(cc1Cl)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587554940	HJ	Annotated	Anodyne	
C[C@]1(c2nc3ccc(Cl)cc3[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587554956	HJ	Annotated	Anodyne	
C[C@]1(c2nc3ccc(Cl)cc3[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587554960	HJ	Annotated	Anodyne	
C[C@@]1(c2nc3ccc(Cl)cc3[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587554963	HJ	Annotated	Anodyne	
C[C@@]1(c2nc3ccc(Cl)cc3[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587554966	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(OC(F)(F)F)c1	ZINC000587554977	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(OC(F)(F)F)c1	ZINC000587554979	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(OC(F)(F)F)c1	ZINC000587554981	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(OC(F)(F)F)c1	ZINC000587554982	HJ	Annotated	Anodyne	
C[C@@]1(c2nc(C(F)(F)F)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587555003	HJ	Annotated	Anodyne	
C[C@]1(c2nc(C(F)(F)F)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587555004	HJ	Annotated	Anodyne	
C[C@]1(c2nc(C(F)(F)F)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587555007	HJ	Annotated	Anodyne	
C[C@@]1(c2nc(C(F)(F)F)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587555009	HJ	Annotated	Anodyne	
COc1ccc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F	ZINC000587555664	HJ	Annotated	Anodyne	
COc1ccc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F	ZINC000587555668	HJ	Annotated	Anodyne	
COc1ccc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F	ZINC000587555670	HJ	Annotated	Anodyne	
COc1ccc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F	ZINC000587555672	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)F)cc1	ZINC000587555833	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)F)cc1	ZINC000587555835	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)F)cc1	ZINC000587555837	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)F)cc1	ZINC000587555838	HJ	Annotated	Anodyne	
COc1ccc(C[C@H](C)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F	ZINC000587556005	HJ	Annotated	Anodyne	
COc1ccc(C[C@H](C)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F	ZINC000587556010	HJ	Annotated	Anodyne	
COc1ccc(C[C@H](C)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F	ZINC000587556013	HJ	Annotated	Anodyne	
COc1ccc(C[C@H](C)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F	ZINC000587556017	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(F)c1	ZINC000587556048	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(F)c1	ZINC000587556049	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(F)c1	ZINC000587556051	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(F)c1	ZINC000587556054	HJ	Annotated	Anodyne	
COC(OC)c1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587556250	HJ	Annotated	Anodyne	
COC(OC)c1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587556251	HJ	Annotated	Anodyne	
COC(OC)c1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587556252	HJ	Annotated	Anodyne	
COC(OC)c1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587556253	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1N1CCCC1	ZINC000587556259	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1N1CCCC1	ZINC000587556260	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1N1CCCC1	ZINC000587556262	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1N1CCCC1	ZINC000587556264	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(OC(F)F)c1	ZINC000587556463	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(OC(F)F)c1	ZINC000587556466	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(OC(F)F)c1	ZINC000587556468	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(OC(F)F)c1	ZINC000587556470	HJ	Annotated	Anodyne	
COc1c(F)cc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F	ZINC000587556816	HJ	Annotated	Anodyne	
COc1c(F)cc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F	ZINC000587556821	HJ	Annotated	Anodyne	
COc1c(F)cc(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F	ZINC000587556822	HJ	Annotated	Anodyne	
COc1c(F)cc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F	ZINC000587556824	HJ	Annotated	Anodyne	
COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC(F)F	ZINC000587556888	HJ	Annotated	Anodyne	
COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC(F)F	ZINC000587556890	HJ	Annotated	Anodyne	
COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC(F)F	ZINC000587556892	HJ	Annotated	Anodyne	
COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC(F)F	ZINC000587556894	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(F)c(F)c1	ZINC000587556962	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(F)c(F)c1	ZINC000587556964	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(F)c(F)c1	ZINC000587556966	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(F)c(F)c1	ZINC000587556968	HJ	Annotated	Reactive	
Cn1c(C(F)(F)F)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587557083	HJ	Annotated	Anodyne	
Cn1c(C(F)(F)F)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587557086	HJ	Annotated	Anodyne	
Cn1c(C(F)(F)F)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587557088	HJ	Annotated	Anodyne	
Cn1c(C(F)(F)F)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587557092	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1OC(F)(F)F	ZINC000587557105	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1OC(F)(F)F	ZINC000587557108	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1OC(F)(F)F	ZINC000587557110	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1OC(F)(F)F	ZINC000587557112	HJ	Annotated	Anodyne	
COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC(F)F	ZINC000587557211	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC(F)F	ZINC000587557212	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC(F)F	ZINC000587557213	HJ	Annotated	Anodyne	
COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC(F)F	ZINC000587557214	HJ	Annotated	Anodyne	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(F)F	ZINC000587557216	HJ	Annotated	Anodyne	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(F)F	ZINC000587557217	HJ	Annotated	Anodyne	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(F)F	ZINC000587557218	HJ	Annotated	Anodyne	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(F)F	ZINC000587557219	HJ	Annotated	Anodyne	
Cc1nc(C(F)(F)F)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587557231	HJ	Annotated	Anodyne	
Cc1nc(C(F)(F)F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587557233	HJ	Annotated	Anodyne	
Cc1nc(C(F)(F)F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587557234	HJ	Annotated	Anodyne	
Cc1nc(C(F)(F)F)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587557235	HJ	Annotated	Anodyne	
N#CC[C@]1(c2ccccc2OC(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587557268	HJ	Annotated	Mild	
N#CC[C@@]1(c2ccccc2OC(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587557270	HJ	Annotated	Mild	
N#CC[C@]1(c2ccccc2OC(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587557272	HJ	Annotated	Mild	
N#CC[C@@]1(c2ccccc2OC(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587557273	HJ	Annotated	Mild	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1F	ZINC000587557307	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1F	ZINC000587557308	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1F	ZINC000587557309	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1F	ZINC000587557310	HJ	Annotated	Anodyne	
Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl	ZINC000587557465	HJ	Annotated	Anodyne	
Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl	ZINC000587557467	HJ	Annotated	Anodyne	
Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl	ZINC000587557468	HJ	Annotated	Anodyne	
Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl	ZINC000587557469	HJ	Annotated	Anodyne	
CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)n1	ZINC000587557470	HJ	Annotated	Anodyne	
CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)n1	ZINC000587557473	HJ	Annotated	Anodyne	
CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)n1	ZINC000587557474	HJ	Annotated	Anodyne	
CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)n1	ZINC000587557476	HJ	Annotated	Anodyne	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1Cl	ZINC000587557811	HJ	Annotated	Anodyne	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1Cl	ZINC000587557812	HJ	Annotated	Anodyne	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1Cl	ZINC000587557813	HJ	Annotated	Anodyne	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1Cl	ZINC000587557814	HJ	Annotated	Anodyne	
COc1cc(Cl)cc(F)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587557851	HJ	Annotated	Anodyne	
COc1cc(Cl)cc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587557852	HJ	Annotated	Anodyne	
COc1cc(Cl)cc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587557853	HJ	Annotated	Anodyne	
COc1cc(Cl)cc(F)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587557854	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(-n3ccnc3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587557869	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(-n3ccnc3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587557871	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(-n3ccnc3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587557873	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(-n3ccnc3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587557874	HJ	Annotated	Anodyne	
C[C@]1(c2cccc3c2OC(F)(F)O3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587558091	HJ	Annotated	Anodyne	
C[C@]1(c2cccc3c2OC(F)(F)O3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587558092	HJ	Annotated	Anodyne	
C[C@@]1(c2cccc3c2OC(F)(F)O3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587558093	HJ	Annotated	Anodyne	
C[C@@]1(c2cccc3c2OC(F)(F)O3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587558094	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(-n3cccn3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587558149	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(-n3cccn3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587558150	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(-n3cccn3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587558151	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(-n3cccn3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587558152	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1Br	ZINC000587558157	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1Br	ZINC000587558158	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1Br	ZINC000587558159	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1Br	ZINC000587558160	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1OC(F)F	ZINC000587558311	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1OC(F)F	ZINC000587558312	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1OC(F)F	ZINC000587558313	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1OC(F)F	ZINC000587558314	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(C(F)(F)F)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587558335	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(C(F)(F)F)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587558336	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(C(F)(F)F)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587558337	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(C(F)(F)F)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587558338	HJ	Annotated	Anodyne	
N#C[C@H](F)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587558622	HJ	Annotated	Mild	
N#C[C@H](F)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587558623	HJ	Annotated	Mild	
N#C[C@H](F)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587558624	HJ	Annotated	Mild	
N#C[C@H](F)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587558626	HJ	Annotated	Mild	
C[C@@]1(c2c(F)cccc2-n2ccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587558674	HJ	Annotated	Anodyne	
C[C@@]1(c2c(F)cccc2-n2ccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587558675	HJ	Annotated	Anodyne	
C[C@]1(c2c(F)cccc2-n2ccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587558676	HJ	Annotated	Anodyne	
C[C@]1(c2c(F)cccc2-n2ccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587558677	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OC(F)(F)F)ccc1O	ZINC000587558990	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(OC(F)(F)F)ccc1O	ZINC000587558991	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(OC(F)(F)F)ccc1O	ZINC000587558992	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OC(F)(F)F)ccc1O	ZINC000587558993	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])c(F)cc1Cl	ZINC000587559021	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])c(F)cc1Cl	ZINC000587559022	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])c(F)cc1Cl	ZINC000587559023	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])c(F)cc1Cl	ZINC000587559024	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC(F)(F)F)c1	ZINC000587559177	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OC(F)(F)F)c1	ZINC000587559178	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OC(F)(F)F)c1	ZINC000587559179	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC(F)(F)F)c1	ZINC000587559180	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(Br)c1	ZINC000587559648	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(Br)c1	ZINC000587559649	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(Br)c1	ZINC000587559650	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(Br)c1	ZINC000587559651	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1c(F)cccc1F	ZINC000587559812	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1c(F)cccc1F	ZINC000587559813	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1c(F)cccc1F	ZINC000587559814	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1c(F)cccc1F	ZINC000587559815	HJ	Annotated	Anodyne	
COc1c(F)cc(F)cc1CC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587559868	HJ	Annotated	Anodyne	
COc1c(F)cc(F)cc1CC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587559869	HJ	Annotated	Anodyne	
COc1c(F)cc(F)cc1CC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587559870	HJ	Annotated	Anodyne	
COc1c(F)cc(F)cc1CC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587559871	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1Br	ZINC000587559876	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1Br	ZINC000587559877	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1Br	ZINC000587559878	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1Br	ZINC000587559879	HJ	Annotated	Anodyne	
Oc1nc(O)c2cc([C@H](c3ccccc3)c3ccccc3O)c(-c3ccccc3)nc2n1	ZINC000587560278	HJ	Annotated	Anodyne	
Oc1nc(O)c2cc([C@@H](c3ccccc3)c3ccccc3O)c(-c3ccccc3)nc2n1	ZINC000587560279	HJ	Annotated	Anodyne	
CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1Cc1cc3c(O)nc(O)nc3nc12)CC(OC)=CC4	ZINC000587560769	HJ	Annotated	Anodyne	
O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc2ccc3cccc4ccc1c2c34	ZINC000587561269	HJ	Annotated	Bother	
Oc1nc(O)c2ccc(-c3ccc(-c4ccccc4Br)s3)nc2n1	ZINC000587563108	HJ	Annotated	Anodyne	
O=C(O)COCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1	ZINC000587563260	HJ	Annotated	Reactive	
COCC(=O)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1	ZINC000587563529	HJ	Annotated	Reactive	
Cc1cccc(OCc2nc3c(Br)cnc(Br)c3[nH]2)c1C	ZINC000587563919	HJ	Annotated	Anodyne	
CCC(C)(C)c1ccc(OCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1	ZINC000587563986	HJ	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3ccc(-c4ccc(Br)cc4)s3)nc2n1	ZINC000587564081	HJ	Annotated	Anodyne	
C#CCOc1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1	ZINC000587564125	HJ	Annotated	Mild	
C#CCOc1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1	ZINC000587564139	HJ	Annotated	Mild	
Cc1cc(C)cc(OCc2nc3c(Br)cnc(Br)c3[nH]2)c1	ZINC000587564221	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(COc3cccc(C)c3C)nc2c1	ZINC000587564239	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(COc3cc(C)cc(C)c3)nc2c1	ZINC000587564332	HJ	Annotated	Anodyne	
CCC(C)(C)c1ccc(OCc2nc3cc(I)cnc3[nH]2)cc1	ZINC000587564696	HJ	Annotated	Anodyne	
CC(C)COc1cccc(OCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1	ZINC000587565516	HJ	Annotated	Bother	
FC(F)(F)Oc1cc2nc(CCOCc3ccccc3)[nH]c2cc1Br	ZINC000587565553	HJ	Annotated	Anodyne	
Brc1ccc(Br)c2[nH]c(CCOCc3ccccc3)nc12	ZINC000587565591	HJ	Annotated	Anodyne	
FC(F)(F)Oc1cc(Br)cc2nc(CCOCc3ccccc3)[nH]c12	ZINC000587565608	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(CCOCc3ccccc3)[nH]c2c(F)c1Nc1ccccc1	ZINC000587565661	HJ	Annotated	Anodyne	
CC(C)COc1cccc(OCc2nc3cccc(I)c3[nH]2)c1	ZINC000587565690	HJ	Annotated	Anodyne	
CC(C)COc1cccc(OCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1	ZINC000587565767	HJ	Annotated	Anodyne	
CCC(C)(C)c1ccc(OCc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1	ZINC000587565874	HJ	Annotated	Anodyne	
CC(C)COc1cccc(OCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1	ZINC000587565926	HJ	Annotated	Anodyne	
Brc1cc2nc(CCOCc3ccccc3)[nH]c2cc1Br	ZINC000587565953	HJ	Annotated	Anodyne	
CC(C)COc1cccc(OCc2nc3ccc(I)cc3[nH]2)c1	ZINC000587566049	HJ	Annotated	Anodyne	
FC(F)(F)Oc1cc(Br)c2[nH]c(CCOCc3ccccc3)nc2c1	ZINC000587566075	HJ	Annotated	Anodyne	
CC(C)COc1cccc(OCc2nc3cc(C#N)cc(Br)c3[nH]2)c1	ZINC000587566086	HJ	Annotated	Mild	
CC(C)COc1cccc(OCc2nc3c(Cl)c(Br)cnc3[nH]2)c1	ZINC000587566098	HJ	Annotated	Anodyne	
CC(C)COc1cccc(OCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1	ZINC000587566152	HJ	Annotated	Bother	
CC(C)COc1cccc(OCc2nc3c(Br)cnc(Cl)c3[nH]2)c1	ZINC000587566171	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc(CCOc3ccc(C=O)cc3)[nH]c2cc1Br	ZINC000587566263	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc(CCOc3ccc(C=O)cc3)[nH]c2cc1Br	ZINC000587566320	HJ	Annotated	Anodyne	
O=Cc1ccc(OCCc2nc3c(Br)ccc(Br)c3[nH]2)cc1	ZINC000587566331	HJ	Annotated	Anodyne	
CCCCOc1cc2nc(CCOc3ccc(C=O)cc3)[nH]c2cc1Br	ZINC000587566353	HJ	Annotated	Anodyne	
O=Cc1ccc(OCCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1	ZINC000587566391	HJ	Annotated	Anodyne	
O=Cc1ccc(OCCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1	ZINC000587566447	HJ	Annotated	Anodyne	
O=Cc1ccc(OCCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1	ZINC000587566458	HJ	Annotated	Anodyne	
O=Cc1ccc(OCCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1	ZINC000587566478	HJ	Annotated	Anodyne	
O=Cc1ccc(OCCc2nc3cc(Br)c(Br)cc3[nH]2)cc1	ZINC000587566526	HJ	Annotated	Anodyne	
CCCOc1cc2nc(CCOc3ccc(C=O)cc3)[nH]c2cc1Br	ZINC000587566532	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc(CCOc4ccc(C=O)cc4)[nH]c3c2)cc1	ZINC000587566625	HJ	Annotated	Anodyne	
COC[C@@]1(c2cccc(Cl)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587566731	HJ	Annotated	Anodyne	
COC[C@@]1(c2cccc(Cl)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587566732	HJ	Annotated	Anodyne	
COC[C@]1(c2cccc(Cl)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587566734	HJ	Annotated	Anodyne	
COC[C@]1(c2cccc(Cl)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587566735	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCOc1c(F)cc(F)cc12	ZINC000587566878	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCOc1c(F)cc(F)cc12	ZINC000587566883	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCOc1c(F)cc(F)cc12	ZINC000587566885	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCOc1c(F)cc(F)cc12	ZINC000587566886	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Br)c1F	ZINC000587566958	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Br)c1F	ZINC000587566959	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Br)c1F	ZINC000587566960	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Br)c1F	ZINC000587566962	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1[nH]c2nccc-2c(Cl)c1F	ZINC000587567391	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1[nH]c2nccc-2c(Cl)c1F	ZINC000587567392	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]c2nccc-2c(Cl)c1F	ZINC000587567393	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]c2nccc-2c(Cl)c1F	ZINC000587567394	HJ	Annotated	Anodyne	
O=CCCC[C@@]1(Cc2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587567427	HJ	Annotated	Mild	
O=CCCC[C@]1(Cc2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587567428	HJ	Annotated	Mild	
O=CCCC[C@@]1(Cc2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587567429	HJ	Annotated	Mild	
O=CCCC[C@]1(Cc2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587567430	HJ	Annotated	Mild	
N#CSC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587567441	HJ	Annotated	Reactive	
N#CSC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587567442	HJ	Annotated	Reactive	
N#CSC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587567443	HJ	Annotated	Reactive	
N#CSC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587567444	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(F)cc1F	ZINC000587567597	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(F)cc1F	ZINC000587567598	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(F)cc1F	ZINC000587567599	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(F)cc1F	ZINC000587567600	HJ	Annotated	Reactive	
C[C@@]1(c2cnn(-c3ccccc3F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587567610	HJ	Annotated	Anodyne	
C[C@@]1(c2cnn(-c3ccccc3F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587567611	HJ	Annotated	Anodyne	
C[C@]1(c2cnn(-c3ccccc3F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587567612	HJ	Annotated	Anodyne	
C[C@]1(c2cnn(-c3ccccc3F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587567613	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccccc2F)nc1	ZINC000587567673	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccccc2F)nc1	ZINC000587567674	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccccc2F)nc1	ZINC000587567675	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccccc2F)nc1	ZINC000587567676	HJ	Annotated	Anodyne	
O=C(CCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Cc1ccc(F)cc1	ZINC000587567715	HJ	Annotated	Anodyne	
O=C(CCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Cc1ccc(F)cc1	ZINC000587567716	HJ	Annotated	Anodyne	
O=C(CCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Cc1ccc(F)cc1	ZINC000587567717	HJ	Annotated	Anodyne	
O=C(CCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Cc1ccc(F)cc1	ZINC000587567718	HJ	Annotated	Anodyne	
CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CN(C)C	ZINC000587567863	HJ	Annotated	Anodyne	
CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CN(C)C	ZINC000587567865	HJ	Annotated	Anodyne	
CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CN(C)C	ZINC000587567867	HJ	Annotated	Anodyne	
CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CN(C)C	ZINC000587567869	HJ	Annotated	Anodyne	
CCN(CC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1	ZINC000587567874	HJ	Annotated	Anodyne	
CCN(CC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1	ZINC000587567875	HJ	Annotated	Anodyne	
CCN(CC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1	ZINC000587567876	HJ	Annotated	Anodyne	
CCN(CC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1	ZINC000587567877	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(F)cn1	ZINC000587567905	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(F)cn1	ZINC000587567907	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(F)cn1	ZINC000587567909	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(F)cn1	ZINC000587567910	HJ	Annotated	Anodyne	
CN(C)/C=C/[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587568125	HJ	Annotated	Anodyne	
CN(C)/C=C/[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587568137	HJ	Annotated	Anodyne	
CN(C)/C=C\[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587568138	HJ	Annotated	Anodyne	
CN(C)/C=C\[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587568139	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ncc(Cl)cc1F	ZINC000587568386	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ncc(Cl)cc1F	ZINC000587568392	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ncc(Cl)cc1F	ZINC000587568394	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ncc(Cl)cc1F	ZINC000587568395	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccc(F)c(F)c1)CC2	ZINC000587568423	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccc(F)c(F)c1)CC2	ZINC000587568424	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1Br	ZINC000587568455	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1Br	ZINC000587568456	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1Br	ZINC000587568457	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1Br	ZINC000587568458	HJ	Annotated	Anodyne	
C[C@H](C#N)C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587568459	HJ	Annotated	Mild	
C[C@H](C#N)C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587568460	HJ	Annotated	Mild	
C[C@H](C#N)C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587568461	HJ	Annotated	Mild	
C[C@H](C#N)C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587568462	HJ	Annotated	Mild	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccccn1	ZINC000587568501	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccccn1	ZINC000587568502	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccccn1	ZINC000587568503	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccccn1	ZINC000587568505	HJ	Annotated	Anodyne	
C[C@H](CC#N)[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587568533	HJ	Annotated	Mild	
C[C@H](CC#N)[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587568534	HJ	Annotated	Mild	
C[C@H](CC#N)[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587568535	HJ	Annotated	Mild	
C[C@H](CC#N)[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587568536	HJ	Annotated	Mild	
CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(F)cc2O1	ZINC000587568607	HJ	Annotated	Anodyne	
CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(F)cc2O1	ZINC000587568608	HJ	Annotated	Anodyne	
CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(F)cc2O1	ZINC000587568609	HJ	Annotated	Anodyne	
CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(F)cc2O1	ZINC000587568610	HJ	Annotated	Anodyne	
N#CC[C@@]1(c2c[nH]c3cc(F)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587568615	HJ	Annotated	Mild	
N#CC[C@@]1(c2c[nH]c3cc(F)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587568616	HJ	Annotated	Mild	
N#CC[C@]1(c2c[nH]c3cc(F)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587568617	HJ	Annotated	Mild	
N#CC[C@]1(c2c[nH]c3cc(F)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587568618	HJ	Annotated	Mild	
N#CCCCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587568743	HJ	Annotated	Mild	
N#CCCCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587568744	HJ	Annotated	Mild	
N#CCCCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587568745	HJ	Annotated	Mild	
N#CCCCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587568746	HJ	Annotated	Mild	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccccc1F)CC2	ZINC000587568851	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccccc1F)CC2	ZINC000587568852	HJ	Annotated	Anodyne	
C[C@]1(c2cccc(/C=C/C=O)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587568853	HJ	Annotated	Reactive	
C[C@]1(c2cccc(/C=C\C=O)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587568854	HJ	Annotated	Reactive	
C[C@]1(c2cccc(/C=C/C=O)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587568855	HJ	Annotated	Reactive	
C[C@]1(c2cccc(/C=C\C=O)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587568856	HJ	Annotated	Reactive	
Cc1nn(-c2ccc(F)cc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587568957	HJ	Annotated	Anodyne	
Cc1nn(-c2ccc(F)cc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587568958	HJ	Annotated	Anodyne	
Cc1nn(-c2ccc(F)cc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587568959	HJ	Annotated	Anodyne	
Cc1nn(-c2ccc(F)cc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587568960	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(Br)c1	ZINC000587568973	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(Br)c1	ZINC000587568974	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(Br)c1	ZINC000587568975	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(Br)c1	ZINC000587568976	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C	ZINC000587569094	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C	ZINC000587569096	HJ	Annotated	Anodyne	
C/C(=C\[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C	ZINC000587569098	HJ	Annotated	Anodyne	
C/C(=C\[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C	ZINC000587569100	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1cccc(F)c1	ZINC000587569240	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1cccc(F)c1	ZINC000587569242	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1cccc(F)c1	ZINC000587569245	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1cccc(F)c1	ZINC000587569249	HJ	Annotated	Anodyne	
N#CSC[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587569282	HJ	Annotated	Reactive	
N#CSC[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587569283	HJ	Annotated	Reactive	
N#CSC[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587569284	HJ	Annotated	Reactive	
N#CSC[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587569286	HJ	Annotated	Reactive	
C[C@]1(c2cccc(CCC=O)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587569299	HJ	Annotated	Mild	
C[C@]1(c2cccc(CCC=O)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587569302	HJ	Annotated	Mild	
C[C@@]1(c2cccc(CCC=O)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587569303	HJ	Annotated	Mild	
C[C@@]1(c2cccc(CCC=O)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587569305	HJ	Annotated	Mild	
O=C(O)CCC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587569348	HJ	Annotated	Anodyne	
O=C(O)CCC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587569350	HJ	Annotated	Anodyne	
O=C(O)CCC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587569352	HJ	Annotated	Anodyne	
O=C(O)CCC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587569354	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(O)(c1cccc(F)c1)CC2	ZINC000587569356	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(O)(c1cccc(F)c1)CC2	ZINC000587569358	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C[C@H](C)C#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587569407	HJ	Annotated	Mild	
COc1ccc([C@]2(C[C@@H](C)C#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587569408	HJ	Annotated	Mild	
COc1ccc([C@]2(C[C@@H](C)C#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587569409	HJ	Annotated	Mild	
COc1ccc([C@]2(C[C@H](C)C#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587569410	HJ	Annotated	Mild	
CC(=O)c1cccc(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F	ZINC000587569512	HJ	Annotated	Anodyne	
CC(=O)c1cccc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F	ZINC000587569513	HJ	Annotated	Anodyne	
CC(=O)c1cccc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F	ZINC000587569514	HJ	Annotated	Anodyne	
CC(=O)c1cccc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F	ZINC000587569515	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1Br	ZINC000587569582	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1Br	ZINC000587569583	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1Br	ZINC000587569584	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1Br	ZINC000587569586	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cccnc1	ZINC000587569606	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cccnc1	ZINC000587569609	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cccnc1	ZINC000587569613	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cccnc1	ZINC000587569616	HJ	Annotated	Anodyne	
C[C@H](C#N)C[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587569619	HJ	Annotated	Mild	
C[C@H](C#N)C[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587569621	HJ	Annotated	Mild	
C[C@H](C#N)C[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587569623	HJ	Annotated	Mild	
C[C@H](C#N)C[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587569625	HJ	Annotated	Mild	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2cccc(F)c2)no1	ZINC000587569632	HJ	Annotated	Anodyne	
CCOC(=O)CCOCCCOCCc1nc2c3ccccc3c3ccccc3c2[nH]1	ZINC000587569634	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2cccc(F)c2)no1	ZINC000587569640	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2cccc(F)c2)no1	ZINC000587569641	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2cccc(F)c2)no1	ZINC000587569642	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccc(F)cc2)on1	ZINC000587569951	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccc(F)cc2)on1	ZINC000587569952	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccc(F)cc2)on1	ZINC000587569953	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccc(F)cc2)on1	ZINC000587569954	HJ	Annotated	Anodyne	
COC(OC)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F	ZINC000587569979	HJ	Annotated	Anodyne	
COC(OC)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F	ZINC000587569981	HJ	Annotated	Anodyne	
COC(OC)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F	ZINC000587569983	HJ	Annotated	Anodyne	
COC(OC)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F	ZINC000587569985	HJ	Annotated	Anodyne	
C[C@@]1(c2cc(F)ccc2-n2ccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587570018	HJ	Annotated	Anodyne	
C[C@@]1(c2cc(F)ccc2-n2ccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587570021	HJ	Annotated	Anodyne	
C[C@]1(c2cc(F)ccc2-n2ccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587570024	HJ	Annotated	Anodyne	
C[C@]1(c2cc(F)ccc2-n2ccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587570026	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccccc1F	ZINC000587570143	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccccc1F	ZINC000587570274	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccccc1F	ZINC000587570275	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccccc1F	ZINC000587570276	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccc(F)cc1F)CC2	ZINC000587570396	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccc(F)cc1F)CC2	ZINC000587570399	HJ	Annotated	Anodyne	
Cc1cc(F)ccc1N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587570562	HJ	Annotated	Anodyne	
Cc1cc(F)ccc1N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587570564	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ncccc2F)o1	ZINC000587570777	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ncccc2F)o1	ZINC000587570778	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ncccc2F)o1	ZINC000587570779	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ncccc2F)o1	ZINC000587570780	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccccc2F)no1	ZINC000587571202	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccccc2F)no1	ZINC000587571203	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccccc2F)no1	ZINC000587571205	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccccc2F)no1	ZINC000587571207	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc(F)cc1	ZINC000587571419	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc(F)cc1	ZINC000587571420	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc(F)cc1	ZINC000587571421	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc(F)cc1	ZINC000587571422	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587571492	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587571495	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587571496	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587571497	HJ	Annotated	Anodyne	
Cc1ccc(C)c([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587571876	HJ	Annotated	Anodyne	
Cc1ccc(C)c([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587571883	HJ	Annotated	Anodyne	
Cc1ccc(C)c([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587571885	HJ	Annotated	Anodyne	
Cc1ccc(C)c([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587571887	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1cccc(F)c1)CC2	ZINC000587572037	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1cccc(F)c1)CC2	ZINC000587572038	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C	ZINC000587572218	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C	ZINC000587572220	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C	ZINC000587572222	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C	ZINC000587572223	HJ	Annotated	Anodyne	
Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccc(F)cc1	ZINC000587572327	HJ	Annotated	Anodyne	
Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccc(F)cc1	ZINC000587572328	HJ	Annotated	Anodyne	
Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccc(F)cc1	ZINC000587572329	HJ	Annotated	Anodyne	
Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccc(F)cc1	ZINC000587572330	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccncc1)c1ccc(F)cc1	ZINC000587572331	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccncc1)c1ccc(F)cc1	ZINC000587572332	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccncc1)c1ccc(F)cc1	ZINC000587572333	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccncc1)c1ccc(F)cc1	ZINC000587572334	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c2[nH]c2ccc(F)cc12	ZINC000587572567	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c2[nH]c2ccc(F)cc12	ZINC000587572568	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c2[nH]c2ccc(F)cc12	ZINC000587572569	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c2[nH]c2ccc(F)cc12	ZINC000587572570	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1cc(F)cc(F)c1	ZINC000587572603	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1cc(F)cc(F)c1	ZINC000587572604	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1cc(F)cc(F)c1	ZINC000587572605	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1cc(F)cc(F)c1	ZINC000587572606	HJ	Annotated	Anodyne	
C[C@@]1(c2cnn(-c3ccc(F)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587572671	HJ	Annotated	Anodyne	
C[C@@]1(c2cnn(-c3ccc(F)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587572672	HJ	Annotated	Anodyne	
C[C@]1(c2cnn(-c3ccc(F)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587572673	HJ	Annotated	Anodyne	
C[C@]1(c2cnn(-c3ccc(F)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587572674	HJ	Annotated	Anodyne	
CN(c1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CC1	ZINC000587572675	HJ	Annotated	Anodyne	
CN(c1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CC1	ZINC000587572676	HJ	Annotated	Anodyne	
CN(c1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CC1	ZINC000587572677	HJ	Annotated	Anodyne	
CN(c1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CC1	ZINC000587572678	HJ	Annotated	Anodyne	
CCN(CC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1	ZINC000587572715	HJ	Annotated	Anodyne	
CCN(CC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1	ZINC000587572716	HJ	Annotated	Anodyne	
CCN(CC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1	ZINC000587572717	HJ	Annotated	Anodyne	
CCN(CC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1	ZINC000587572718	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(N)c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc2n1	ZINC000587573016	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(N)c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc2n1	ZINC000587573019	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(N)c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc2n1	ZINC000587573021	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(N)c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc2n1	ZINC000587573023	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccc(F)cc1)CC2	ZINC000587573063	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccc(F)cc1)CC2	ZINC000587573065	HJ	Annotated	Anodyne	
COc1ccc([C@]2(CCC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587573208	HJ	Annotated	Mild	
COc1ccc([C@]2(CCC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587573209	HJ	Annotated	Mild	
COc1ccc([C@@]2(CCC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587573210	HJ	Annotated	Mild	
COc1ccc([C@@]2(CCC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587573212	HJ	Annotated	Mild	
COCCC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587573283	HJ	Annotated	Anodyne	
COCCC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587573289	HJ	Annotated	Anodyne	
COCCC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587573290	HJ	Annotated	Anodyne	
COCCC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587573291	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc2cccnc12	ZINC000587573332	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc2cccnc12	ZINC000587573335	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc2cccnc12	ZINC000587573337	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc2cccnc12	ZINC000587573339	HJ	Annotated	Bother	
Nc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1-2	ZINC000587573421	HJ	Annotated	Anodyne	
Nc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1-2	ZINC000587573426	HJ	Annotated	Anodyne	
Nc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1-2	ZINC000587573428	HJ	Annotated	Anodyne	
Nc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1-2	ZINC000587573429	HJ	Annotated	Anodyne	
Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc(F)cc2)n1	ZINC000587573691	HJ	Annotated	Anodyne	
Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc(F)cc2)n1	ZINC000587573692	HJ	Annotated	Anodyne	
Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc(F)cc2)n1	ZINC000587573693	HJ	Annotated	Anodyne	
Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc(F)cc2)n1	ZINC000587573694	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccnc2c1[N+](=O)[O-]	ZINC000587573922	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccnc2c1[N+](=O)[O-]	ZINC000587573924	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccnc2c1[N+](=O)[O-]	ZINC000587573926	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccnc2c1[N+](=O)[O-]	ZINC000587573928	HJ	Annotated	Bother	
COCC[C@@]1(Cc2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587574014	HJ	Annotated	Anodyne	
COCC[C@@]1(Cc2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587574015	HJ	Annotated	Anodyne	
COCC[C@]1(Cc2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587574016	HJ	Annotated	Anodyne	
COCC[C@]1(Cc2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587574017	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(F)c1)c1ccccn1	ZINC000587574039	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(F)c1)c1ccccn1	ZINC000587574040	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(F)c1)c1ccccn1	ZINC000587574042	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(F)c1)c1ccccn1	ZINC000587574044	HJ	Annotated	Anodyne	
CCOc1ccc(CN(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587574185	HJ	Annotated	Anodyne	
CCOc1ccc(CN(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587574186	HJ	Annotated	Anodyne	
CCOc1ccc(CN(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587574187	HJ	Annotated	Anodyne	
CCOc1ccc(CN(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587574188	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c2cccnc12	ZINC000587574233	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c2cccnc12	ZINC000587574236	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c2cccnc12	ZINC000587574238	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c2cccnc12	ZINC000587574240	HJ	Annotated	Bother	
CC(C)(C)OC(=O)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587574518	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587574521	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587574523	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587574524	HJ	Annotated	Anodyne	
COc1ccc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)cn2C	ZINC000587574584	HJ	Annotated	Anodyne	
COc1ccc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2C	ZINC000587574585	HJ	Annotated	Anodyne	
COc1ccc2c(c1)c([C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2C	ZINC000587574586	HJ	Annotated	Anodyne	
COc1ccc2c(c1)c([C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)cn2C	ZINC000587574587	HJ	Annotated	Anodyne	
Cc1cccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587574615	HJ	Annotated	Anodyne	
Cc1cccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587574616	HJ	Annotated	Anodyne	
Cc1cccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587574617	HJ	Annotated	Anodyne	
Cc1cccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587574618	HJ	Annotated	Anodyne	
CC(C)(c1ccc([N+](=O)[O-])cc1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587574669	HJ	Annotated	Bother	
CC(C)(c1ccc([N+](=O)[O-])cc1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587574670	HJ	Annotated	Bother	
CC(C)(c1ccc([N+](=O)[O-])cc1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587574671	HJ	Annotated	Bother	
CC(C)(c1ccc([N+](=O)[O-])cc1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587574672	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ncccc2c1[N+](=O)[O-]	ZINC000587574677	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ncccc2c1[N+](=O)[O-]	ZINC000587574678	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ncccc2c1[N+](=O)[O-]	ZINC000587574679	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ncccc2c1[N+](=O)[O-]	ZINC000587574680	HJ	Annotated	Bother	
CN(Cc1ccccc1)CC(C)(C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587574768	HJ	Annotated	Anodyne	
CN(Cc1ccccc1)CC(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587574772	HJ	Annotated	Anodyne	
CN(Cc1ccccc1)CC(C)(C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587574774	HJ	Annotated	Anodyne	
CN(Cc1ccccc1)CC(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587574777	HJ	Annotated	Anodyne	
CCn1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21	ZINC000587574789	HJ	Annotated	Anodyne	
CCn1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21	ZINC000587574792	HJ	Annotated	Anodyne	
CCn1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21	ZINC000587574794	HJ	Annotated	Anodyne	
CCn1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21	ZINC000587574795	HJ	Annotated	Anodyne	
Cc1ccc(/C(=C/N(C)C)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587574826	HJ	Annotated	Anodyne	
Cc1ccc(/C(=C\N(C)C)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587574828	HJ	Annotated	Anodyne	
Cc1ccc(/C(=C\N(C)C)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587574829	HJ	Annotated	Anodyne	
Cc1ccc(/C(=C/N(C)C)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587574831	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccc([N+](=O)[O-])cc1CC2	ZINC000587574980	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccc([N+](=O)[O-])cc1CC2	ZINC000587574981	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc([N+](=O)[O-])cc1CC2	ZINC000587574982	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc([N+](=O)[O-])cc1CC2	ZINC000587574985	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000587575077	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000587575078	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000587575079	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000587575081	HJ	Annotated	Bother	
CC(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1	ZINC000587575139	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1	ZINC000587575140	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1	ZINC000587575141	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1	ZINC000587575142	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccnc1	ZINC000587575207	HJ	Annotated	Anodyne	
Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccnc1	ZINC000587575208	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccnc1	ZINC000587575209	HJ	Annotated	Anodyne	
Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccnc1	ZINC000587575210	HJ	Annotated	Anodyne	
C=CCn1c(C)cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C	ZINC000587575215	HJ	Annotated	Mild	
C=CCn1c(C)cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C	ZINC000587575216	HJ	Annotated	Mild	
C=CCn1c(C)cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C	ZINC000587575217	HJ	Annotated	Mild	
C=CCn1c(C)cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C	ZINC000587575218	HJ	Annotated	Mild	
COc1cccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587575227	HJ	Annotated	Anodyne	
COc1cccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587575228	HJ	Annotated	Anodyne	
COc1cccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587575229	HJ	Annotated	Anodyne	
COc1cccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587575230	HJ	Annotated	Anodyne	
CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	ZINC000587575263	HJ	Annotated	Bother	
CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	ZINC000587575264	HJ	Annotated	Bother	
CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	ZINC000587575265	HJ	Annotated	Bother	
CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	ZINC000587575266	HJ	Annotated	Bother	
Nc1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587575510	HJ	Annotated	Anodyne	
Nc1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587575511	HJ	Annotated	Anodyne	
Nc1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587575512	HJ	Annotated	Anodyne	
Nc1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587575513	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1O2	ZINC000587575750	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1O2	ZINC000587575751	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1O2	ZINC000587575752	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1O2	ZINC000587575753	HJ	Annotated	Anodyne	
Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587575766	HJ	Annotated	Anodyne	
Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587575767	HJ	Annotated	Anodyne	
Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587575768	HJ	Annotated	Anodyne	
Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587575769	HJ	Annotated	Anodyne	
CCc1ccccc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587575853	HJ	Annotated	Anodyne	
CCc1ccccc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587575854	HJ	Annotated	Anodyne	
CCc1ccccc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587575856	HJ	Annotated	Anodyne	
CCc1ccccc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587575859	HJ	Annotated	Anodyne	
N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587575884	HJ	Annotated	Mild	
N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587575886	HJ	Annotated	Mild	
N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587575889	HJ	Annotated	Mild	
N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587575891	HJ	Annotated	Mild	
COc1ccc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c(C)n2C	ZINC000587575893	HJ	Annotated	Clean	
COc1ccc2c(c1)c([C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c(C)n2C	ZINC000587575895	HJ	Annotated	Clean	
COc1ccc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c(C)n2C	ZINC000587575897	HJ	Annotated	Clean	
COc1ccc2c(c1)c([C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c(C)n2C	ZINC000587575899	HJ	Annotated	Clean	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2c([N+](=O)[O-])cccc12	ZINC000587575975	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc2c([N+](=O)[O-])cccc12	ZINC000587575976	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2c([N+](=O)[O-])cccc12	ZINC000587575977	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc2c([N+](=O)[O-])cccc12	ZINC000587575978	HJ	Annotated	Bother	
Cc1[nH]c2ccccc2c(=N)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587575979	HJ	Annotated	Anodyne	
Cc1[nH]c2ccccc2c(=N)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587575980	HJ	Annotated	Anodyne	
Cc1[nH]c2ccccc2c(=N)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587575981	HJ	Annotated	Anodyne	
Cc1[nH]c2ccccc2c(=N)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587575982	HJ	Annotated	Anodyne	
Cc1cccc(C)c1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587576082	HJ	Annotated	Anodyne	
Cc1cccc(C)c1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587576083	HJ	Annotated	Anodyne	
Cc1cccc(C)c1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587576084	HJ	Annotated	Anodyne	
Cc1cccc(C)c1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587576085	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1-2	ZINC000587576351	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1-2	ZINC000587576352	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1-2	ZINC000587576353	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1-2	ZINC000587576354	HJ	Annotated	Anodyne	
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587576377	HJ	Annotated	Bother	
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587576382	HJ	Annotated	Bother	
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587576383	HJ	Annotated	Bother	
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587576385	HJ	Annotated	Bother	
CC(C)[C@]1(CCc2cccc(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587576409	HJ	Annotated	Anodyne	
CC(C)[C@@]1(CCc2cccc(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587576411	HJ	Annotated	Anodyne	
CC(C)[C@]1(CCc2cccc(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587576413	HJ	Annotated	Anodyne	
CC(C)[C@@]1(CCc2cccc(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587576415	HJ	Annotated	Anodyne	
Cc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1	ZINC000587576466	HJ	Annotated	Bother	
Cc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1	ZINC000587576474	HJ	Annotated	Bother	
Cc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1	ZINC000587576476	HJ	Annotated	Bother	
Cc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1	ZINC000587576478	HJ	Annotated	Bother	
C[C@]1(c2cc3cc([N+](=O)[O-])ccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587576544	HJ	Annotated	Bother	
C[C@]1(c2cc3cc([N+](=O)[O-])ccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587576556	HJ	Annotated	Bother	
CC(C)C[C@@H](C(=O)O)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587576558	HJ	Annotated	Anodyne	
C[C@@]1(c2cc3cc([N+](=O)[O-])ccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587576559	HJ	Annotated	Bother	
CC(C)C[C@@H](C(=O)O)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587576560	HJ	Annotated	Anodyne	
C[C@@]1(c2cc3cc([N+](=O)[O-])ccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587576562	HJ	Annotated	Bother	
CC(C)C[C@@H](C(=O)O)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587576563	HJ	Annotated	Anodyne	
CC(C)C[C@@H](C(=O)O)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587576565	HJ	Annotated	Anodyne	
CC(=O)n1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587576589	HJ	Annotated	Anodyne	
CC(=O)n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587576596	HJ	Annotated	Anodyne	
CC(=O)n1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587576597	HJ	Annotated	Anodyne	
CC(=O)n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587576598	HJ	Annotated	Anodyne	
COc1ccc2c(c1)cc([C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)n2C	ZINC000587576599	HJ	Annotated	Anodyne	
COc1ccc2c(c1)cc([C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)n2C	ZINC000587576601	HJ	Annotated	Anodyne	
COc1ccc2c(c1)cc([C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)n2C	ZINC000587576604	HJ	Annotated	Anodyne	
COc1ccc2c(c1)cc([C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)n2C	ZINC000587576606	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1CCc1ccccn1	ZINC000587576632	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1CCc1ccccn1	ZINC000587576633	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1CCc1ccccn1	ZINC000587576634	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1CCc1ccccn1	ZINC000587576635	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587576684	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587576687	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587576690	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587576694	HJ	Annotated	Anodyne	
N#Cc1ccccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587576823	HJ	Annotated	Mild	
N#Cc1ccccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587576831	HJ	Annotated	Mild	
N#Cc1ccccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587576833	HJ	Annotated	Mild	
N#Cc1ccccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587576835	HJ	Annotated	Mild	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c([N+](=O)[O-])cccc2cn1	ZINC000587576911	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c([N+](=O)[O-])cccc2cn1	ZINC000587576914	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2c([N+](=O)[O-])cccc2cn1	ZINC000587576917	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2c([N+](=O)[O-])cccc2cn1	ZINC000587576920	HJ	Annotated	Bother	
CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc([N+](=O)[O-])ccc21	ZINC000587576936	HJ	Annotated	Bother	
CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc([N+](=O)[O-])ccc21	ZINC000587576937	HJ	Annotated	Bother	
CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc([N+](=O)[O-])ccc21	ZINC000587576938	HJ	Annotated	Bother	
CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc([N+](=O)[O-])ccc21	ZINC000587576939	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc([N+](=O)[O-])c1)C1CC1	ZINC000587577258	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc([N+](=O)[O-])c1)C1CC1	ZINC000587577259	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc([N+](=O)[O-])c1)C1CC1	ZINC000587577260	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc([N+](=O)[O-])c1)C1CC1	ZINC000587577261	HJ	Annotated	Bother	
Nc1cccc2c1-c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577262	HJ	Annotated	Anodyne	
Nc1cccc2c1-c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577263	HJ	Annotated	Anodyne	
Nc1cccc2c1-c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577264	HJ	Annotated	Anodyne	
Nc1cccc2c1-c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577265	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)-c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577294	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)-c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577296	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)-c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577298	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)-c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577300	HJ	Annotated	Anodyne	
COc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587577590	HJ	Annotated	Anodyne	
COc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587577592	HJ	Annotated	Anodyne	
COc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587577595	HJ	Annotated	Anodyne	
COc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587577597	HJ	Annotated	Anodyne	
Nc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587577702	HJ	Annotated	Anodyne	
Nc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587577704	HJ	Annotated	Anodyne	
CCn1ccnc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577705	HJ	Annotated	Anodyne	
Nc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587577706	HJ	Annotated	Anodyne	
CCn1ccnc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577707	HJ	Annotated	Anodyne	
Nc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587577708	HJ	Annotated	Anodyne	
CCn1ccnc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577709	HJ	Annotated	Anodyne	
CCn1ccnc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577712	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc3c(c2)cc(O)n3C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577785	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc3c(c2)cc(O)n3C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577786	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc3c(c2)cc(O)n3C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577788	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc3c(c2)cc(O)n3C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577790	HJ	Annotated	Anodyne	
Cc1cc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)no1	ZINC000587577816	HJ	Annotated	Anodyne	
Cc1cc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)no1	ZINC000587577817	HJ	Annotated	Anodyne	
Cc1cc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)no1	ZINC000587577818	HJ	Annotated	Anodyne	
Cc1cc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)no1	ZINC000587577819	HJ	Annotated	Anodyne	
COc1ccccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577820	HJ	Annotated	Anodyne	
COc1ccccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577821	HJ	Annotated	Anodyne	
COc1ccccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577822	HJ	Annotated	Anodyne	
COc1ccccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577823	HJ	Annotated	Anodyne	
CCC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577945	HJ	Annotated	Bother	
CCC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577946	HJ	Annotated	Bother	
CCC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577947	HJ	Annotated	Bother	
CCC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577949	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc([N+](=O)[O-])ccc2o1	ZINC000587577960	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc([N+](=O)[O-])ccc2o1	ZINC000587577962	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc([N+](=O)[O-])ccc2o1	ZINC000587577963	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc([N+](=O)[O-])ccc2o1	ZINC000587577964	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc([N+](=O)[O-])ccc2n1	ZINC000587577975	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc([N+](=O)[O-])ccc2n1	ZINC000587577976	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc([N+](=O)[O-])ccc2n1	ZINC000587577977	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc([N+](=O)[O-])ccc2n1	ZINC000587577978	HJ	Annotated	Bother	
CCCn1c(C)cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C	ZINC000587578004	HJ	Annotated	Mild	
CCCn1c(C)cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C	ZINC000587578006	HJ	Annotated	Mild	
CCCn1c(C)cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C	ZINC000587578008	HJ	Annotated	Mild	
CCCn1c(C)cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C	ZINC000587578009	HJ	Annotated	Mild	
COc1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn(C)c2c1	ZINC000587578038	HJ	Annotated	Anodyne	
COc1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn(C)c2c1	ZINC000587578040	HJ	Annotated	Anodyne	
COc1ccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn(C)c2c1	ZINC000587578041	HJ	Annotated	Anodyne	
COc1ccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn(C)c2c1	ZINC000587578042	HJ	Annotated	Anodyne	
N#Cc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587578125	HJ	Annotated	Mild	
N#Cc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587578126	HJ	Annotated	Mild	
N#Cc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587578127	HJ	Annotated	Mild	
N#Cc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587578128	HJ	Annotated	Mild	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccc([N+](=O)[O-])c2n1	ZINC000587578257	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccc([N+](=O)[O-])c2n1	ZINC000587578259	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccc([N+](=O)[O-])c2n1	ZINC000587578260	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccc([N+](=O)[O-])c2n1	ZINC000587578261	HJ	Annotated	Bother	
N#Cc1ccccc1Cn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587578498	HJ	Annotated	Mild	
N#Cc1ccccc1Cn1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587578506	HJ	Annotated	Mild	
N#Cc1ccccc1Cn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587578509	HJ	Annotated	Mild	
N#Cc1ccccc1Cn1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587578510	HJ	Annotated	Mild	
COc1cccc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n(C)c12	ZINC000587578546	HJ	Annotated	Anodyne	
COc1cccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n(C)c12	ZINC000587578549	HJ	Annotated	Anodyne	
COc1cccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n(C)c12	ZINC000587578551	HJ	Annotated	Anodyne	
COc1cccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n(C)c12	ZINC000587578553	HJ	Annotated	Anodyne	
C[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587578763	HJ	Annotated	Bother	
C[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587578765	HJ	Annotated	Bother	
C[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587578767	HJ	Annotated	Bother	
C[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587578769	HJ	Annotated	Bother	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1CCc1ccncc1	ZINC000587578779	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1CCc1ccncc1	ZINC000587578781	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1CCc1ccncc1	ZINC000587578782	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1CCc1ccncc1	ZINC000587578783	HJ	Annotated	Anodyne	
Cc1ccc(-n2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1C	ZINC000587578843	HJ	Annotated	Anodyne	
Cc1ccc(-n2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1C	ZINC000587578845	HJ	Annotated	Anodyne	
Cc1ccc(-n2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1C	ZINC000587578847	HJ	Annotated	Anodyne	
Cc1ccc(-n2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1C	ZINC000587578849	HJ	Annotated	Anodyne	
Cc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-n2cccn2)c1	ZINC000587578858	HJ	Annotated	Anodyne	
Cc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-n2cccn2)c1	ZINC000587578864	HJ	Annotated	Anodyne	
Cc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-n2cccn2)c1	ZINC000587578866	HJ	Annotated	Anodyne	
Cc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-n2cccn2)c1	ZINC000587578868	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCC[C@H]2Cn1ccnc1	ZINC000587579158	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCC[C@@H]2Cn1ccnc1	ZINC000587579159	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCC[C@H]2Cn1ccnc1	ZINC000587579161	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCC[C@@H]2Cn1ccnc1	ZINC000587579162	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c2cnn1-c1ccccc1	ZINC000587579298	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2cnn1-c1ccccc1	ZINC000587579302	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c2cnn1-c1ccccc1	ZINC000587579303	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2cnn1-c1ccccc1	ZINC000587579304	HJ	Annotated	Anodyne	
Cc1cc(C)c(-n2cccn2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587579337	HJ	Annotated	Anodyne	
Cc1cc(C)c(-n2cccn2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587579338	HJ	Annotated	Anodyne	
Cc1cc(C)c(-n2cccn2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587579339	HJ	Annotated	Anodyne	
Cc1cc(C)c(-n2cccn2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587579340	HJ	Annotated	Anodyne	
CCc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587579476	HJ	Annotated	Anodyne	
CCc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587579477	HJ	Annotated	Anodyne	
CCc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587579478	HJ	Annotated	Anodyne	
CCc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587579479	HJ	Annotated	Anodyne	
Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2cnn(C)c2)c1	ZINC000587579572	HJ	Annotated	Anodyne	
Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2cnn(C)c2)c1	ZINC000587579577	HJ	Annotated	Anodyne	
Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2cnn(C)c2)c1	ZINC000587579579	HJ	Annotated	Anodyne	
Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2cnn(C)c2)c1	ZINC000587579582	HJ	Annotated	Anodyne	
N#Cc1cccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587579583	HJ	Annotated	Mild	
N#Cc1cccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587579586	HJ	Annotated	Mild	
N#Cc1cccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587579587	HJ	Annotated	Mild	
N#Cc1cccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587579588	HJ	Annotated	Mild	
C#CCn1c(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587579720	HJ	Annotated	Mild	
C#CCn1c(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587579721	HJ	Annotated	Mild	
C#CCn1c(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587579722	HJ	Annotated	Mild	
C#CCn1c(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587579723	HJ	Annotated	Mild	
Cn1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587579724	HJ	Annotated	Mild	
Cn1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587579725	HJ	Annotated	Mild	
Cn1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587579726	HJ	Annotated	Mild	
Cn1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587579727	HJ	Annotated	Mild	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(NCc1ccccc1)CC2	ZINC000587579742	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(NCc1ccccc1)CC2	ZINC000587579743	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(c3occc3N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587579776	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(c3occc3N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587579777	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(c3occc3N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587579778	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(c3occc3N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587579779	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1	ZINC000587579826	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1	ZINC000587579827	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1	ZINC000587579828	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1	ZINC000587579829	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C[C@@H]1CCCO1	ZINC000587580327	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C[C@H]1CCCO1	ZINC000587580329	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C[C@H]1CCCO1	ZINC000587580331	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C[C@@H]1CCCO1	ZINC000587580332	HJ	Annotated	Anodyne	
Cc1nn(-c2ccccc2)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587580485	HJ	Annotated	Anodyne	
Cc1nn(-c2ccccc2)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587580487	HJ	Annotated	Anodyne	
Cc1nn(-c2ccccc2)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587580489	HJ	Annotated	Anodyne	
Cc1nn(-c2ccccc2)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587580490	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccn(CC2CCCCC2)n1	ZINC000587580492	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccn(CC2CCCCC2)n1	ZINC000587580494	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccn(CC2CCCCC2)n1	ZINC000587580496	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccn(CC2CCCCC2)n1	ZINC000587580498	HJ	Annotated	Anodyne	
CCCn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21	ZINC000587580536	HJ	Annotated	Anodyne	
CCCn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21	ZINC000587580537	HJ	Annotated	Anodyne	
CC(C)C(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587580612	HJ	Annotated	Anodyne	
CC(C)C(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587580613	HJ	Annotated	Anodyne	
CC(C)C(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587580614	HJ	Annotated	Anodyne	
CC(C)C(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587580615	HJ	Annotated	Anodyne	
CC[C@]1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(N)ccc2O1	ZINC000587580628	HJ	Annotated	Anodyne	
CC[C@]1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(N)ccc2O1	ZINC000587580629	HJ	Annotated	Anodyne	
CC[C@]1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(N)ccc2O1	ZINC000587580630	HJ	Annotated	Anodyne	
CC[C@]1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(N)ccc2O1	ZINC000587580631	HJ	Annotated	Anodyne	
CCCn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21	ZINC000587580655	HJ	Annotated	Anodyne	
CCCn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21	ZINC000587580656	HJ	Annotated	Anodyne	
C[C@H](c1ccccc1)N1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587580690	HJ	Annotated	Anodyne	
C[C@H](c1ccccc1)N1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587580692	HJ	Annotated	Anodyne	
C[C@H](c1ccccc1)N1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587580694	HJ	Annotated	Anodyne	
C[C@H](c1ccccc1)N1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587580696	HJ	Annotated	Anodyne	
CCc1ccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1	ZINC000587580783	HJ	Annotated	Anodyne	
CCc1ccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1	ZINC000587580785	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc2c(c1)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587580938	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc2c(c1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587580939	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc2c(c1)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587580940	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc2c(c1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587580941	HJ	Annotated	Anodyne	
Cc1cc(C)n([C@@H]2CCC[C@@]3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)n1	ZINC000587581402	HJ	Annotated	Anodyne	
Cc1cc(C)n([C@@H]2CCC[C@@]3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)n1	ZINC000587581406	HJ	Annotated	Anodyne	
Cc1cc(C)n([C@@H]2CCC[C@]3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)n1	ZINC000587581408	HJ	Annotated	Anodyne	
Cc1cc(C)n([C@@H]2CCC[C@]3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)n1	ZINC000587581411	HJ	Annotated	Anodyne	
Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccccc1	ZINC000587581498	HJ	Annotated	Anodyne	
Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccccc1	ZINC000587581499	HJ	Annotated	Anodyne	
Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccccc1	ZINC000587581500	HJ	Annotated	Anodyne	
Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccccc1	ZINC000587581501	HJ	Annotated	Anodyne	
Cc1cccc(-n2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)c1	ZINC000587581526	HJ	Annotated	Anodyne	
Cc1cccc(-n2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)c1	ZINC000587581527	HJ	Annotated	Anodyne	
Cc1cccc(-n2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)c1	ZINC000587581528	HJ	Annotated	Anodyne	
Cc1cccc(-n2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)c1	ZINC000587581529	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C	ZINC000587581625	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C	ZINC000587581626	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C	ZINC000587581628	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C	ZINC000587581630	HJ	Annotated	Anodyne	
CC(C)[C@]1(CC(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587581639	HJ	Annotated	Anodyne	
CC(C)[C@@]1(CC(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587581642	HJ	Annotated	Anodyne	
CC(C)[C@]1(CC(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587581643	HJ	Annotated	Anodyne	
CC(C)[C@@]1(CC(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587581644	HJ	Annotated	Anodyne	
C[C@@H]1CCC[C@H](N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1	ZINC000587581685	HJ	Annotated	Anodyne	
C[C@@H]1CCC[C@@H](N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1	ZINC000587581686	HJ	Annotated	Anodyne	
C[C@@H]1CCC[C@@H](N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1	ZINC000587581687	HJ	Annotated	Anodyne	
C[C@@H]1CCC[C@H](N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1	ZINC000587581688	HJ	Annotated	Anodyne	
C[C@@H]1C[C@]2(CCN1Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587581703	HJ	Annotated	Anodyne	
C[C@@H]1C[C@@]2(CCN1Cc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587581705	HJ	Annotated	Anodyne	
CCCCC[C@@]1(c2cn(C)nc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587581782	HJ	Annotated	Anodyne	
CCCCC[C@@]1(c2cn(C)nc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587581783	HJ	Annotated	Anodyne	
CCCCC[C@]1(c2cn(C)nc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587581784	HJ	Annotated	Anodyne	
CCCCC[C@]1(c2cn(C)nc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587581785	HJ	Annotated	Anodyne	
C[C@@H]1C[C@]2(CCN1Cc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587581830	HJ	Annotated	Anodyne	
C[C@@H]1C[C@@]2(CCN1Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587581831	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C	ZINC000587581884	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C	ZINC000587581886	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C	ZINC000587581887	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C	ZINC000587581888	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587581910	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587581912	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587581914	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587581916	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC=C(NNc1ccccc1)C2	ZINC000587581930	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCC=C(NNc1ccccc1)C2	ZINC000587581932	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCC=C(NNc1ccccc1)C2	ZINC000587581934	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC=C(NNc1ccccc1)C2	ZINC000587581936	HJ	Annotated	Anodyne	
C[C@@]1(CC(=O)NC2CCCCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587581959	HJ	Annotated	Anodyne	
C[C@]1(CC(=O)NC2CCCCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587581960	HJ	Annotated	Anodyne	
C[C@@]1(CC(=O)NC2CCCCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587581961	HJ	Annotated	Anodyne	
C[C@]1(CC(=O)NC2CCCCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587581963	HJ	Annotated	Anodyne	
CCC(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587582016	HJ	Annotated	Anodyne	
CCC(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587582017	HJ	Annotated	Anodyne	
CCC(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587582018	HJ	Annotated	Anodyne	
CCC(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587582019	HJ	Annotated	Anodyne	
Cc1cc(C)cc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587582241	HJ	Annotated	Anodyne	
Cc1cc(C)cc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587582243	HJ	Annotated	Anodyne	
Cc1cc(C)cc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587582245	HJ	Annotated	Anodyne	
Cc1cc(C)cc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587582247	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)Oc1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587582313	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)Oc1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587582316	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)Oc1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587582317	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)Oc1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587582319	HJ	Annotated	Anodyne	
Cc1cc(C)n(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)n1	ZINC000587582388	HJ	Annotated	Anodyne	
Cc1cc(C)n(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)n1	ZINC000587582389	HJ	Annotated	Anodyne	
Cc1cc(C)n(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)n1	ZINC000587582390	HJ	Annotated	Anodyne	
Cc1cc(C)n(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)n1	ZINC000587582391	HJ	Annotated	Anodyne	
Cc1cc(C)n(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)n1	ZINC000587582424	HJ	Annotated	Anodyne	
Cc1cc(C)n(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)n1	ZINC000587582425	HJ	Annotated	Anodyne	
Cc1cc(C)n(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)n1	ZINC000587582426	HJ	Annotated	Anodyne	
Cc1cc(C)n(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)n1	ZINC000587582427	HJ	Annotated	Anodyne	
CCOc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)nn1CC(C)C	ZINC000587582568	HJ	Annotated	Anodyne	
CCOc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)nn1CC(C)C	ZINC000587582569	HJ	Annotated	Anodyne	
CCOc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)nn1CC(C)C	ZINC000587582570	HJ	Annotated	Anodyne	
CCOc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)nn1CC(C)C	ZINC000587582571	HJ	Annotated	Anodyne	
Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C2CCCCC2)n1	ZINC000587582616	HJ	Annotated	Anodyne	
Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C2CCCCC2)n1	ZINC000587582617	HJ	Annotated	Anodyne	
Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C2CCCCC2)n1	ZINC000587582618	HJ	Annotated	Anodyne	
Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C2CCCCC2)n1	ZINC000587582619	HJ	Annotated	Anodyne	
CCN1c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C[C@H]1C	ZINC000587582650	HJ	Annotated	Anodyne	
CCN1c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C[C@@H]1C	ZINC000587582651	HJ	Annotated	Anodyne	
CCN1c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2C[C@@H]1C	ZINC000587582652	HJ	Annotated	Anodyne	
CCN1c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2C[C@H]1C	ZINC000587582653	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(CC1CCCCC1)CC2	ZINC000587582744	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(CC1CCCCC1)CC2	ZINC000587582745	HJ	Annotated	Anodyne	
C[C@@H]1CCCC[C@H]1N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587582858	HJ	Annotated	Anodyne	
C[C@@H]1CCCC[C@@H]1N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587582859	HJ	Annotated	Anodyne	
C[C@@H]1CCCC[C@H]1N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587582860	HJ	Annotated	Anodyne	
C[C@@H]1CCCC[C@@H]1N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587582861	HJ	Annotated	Anodyne	
Cc1cccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c1	ZINC000587582888	HJ	Annotated	Anodyne	
Cc1cccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c1	ZINC000587582889	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2ccccc2)C[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587583118	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2ccccc2)C[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587583119	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2ccccc2)C[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587583120	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2ccccc2)C[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587583121	HJ	Annotated	Anodyne	
CC1CCC(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)CC1	ZINC000587583126	HJ	Annotated	Anodyne	
CC1CCC(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)CC1	ZINC000587583127	HJ	Annotated	Anodyne	
C[C@@H](c1ccccc1)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587583210	HJ	Annotated	Anodyne	
C[C@H](c1ccccc1)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587583212	HJ	Annotated	Anodyne	
C[C@@H](c1ccccc1)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587583213	HJ	Annotated	Anodyne	
C[C@H](c1ccccc1)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587583214	HJ	Annotated	Anodyne	
Cc1ccccc1-n1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587583258	HJ	Annotated	Anodyne	
Cc1ccccc1-n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587583260	HJ	Annotated	Anodyne	
Cc1ccccc1-n1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587583261	HJ	Annotated	Anodyne	
Cc1ccccc1-n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587583263	HJ	Annotated	Anodyne	
Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccnn2C)c1	ZINC000587583348	HJ	Annotated	Anodyne	
Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccnn2C)c1	ZINC000587583349	HJ	Annotated	Anodyne	
Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccnn2C)c1	ZINC000587583350	HJ	Annotated	Anodyne	
Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccnn2C)c1	ZINC000587583351	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1nn(-c3ccccc3)cc12	ZINC000587583424	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1nn(-c3ccccc3)cc12	ZINC000587583425	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1nn(-c3ccccc3)cc12	ZINC000587583426	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1nn(-c3ccccc3)cc12	ZINC000587583427	HJ	Annotated	Anodyne	
CCn1nc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587583746	HJ	Annotated	Anodyne	
CCn1nc(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587583747	HJ	Annotated	Anodyne	
CCn1nc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587583748	HJ	Annotated	Anodyne	
CCn1nc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587583749	HJ	Annotated	Anodyne	
CC1(C)C[C@]2(CN1Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587583778	HJ	Annotated	Anodyne	
CC1(C)C[C@]2(CN1Cc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587583779	HJ	Annotated	Anodyne	
CC1(C)C[C@@]2(CN1Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587583780	HJ	Annotated	Anodyne	
CC1(C)C[C@@]2(CN1Cc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587583781	HJ	Annotated	Anodyne	
C[C@@H]1CCN(Cc2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587583824	HJ	Annotated	Anodyne	
C[C@@H]1CCN(Cc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587583825	HJ	Annotated	Anodyne	
C[C@@H]1CCN(Cc2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587583826	HJ	Annotated	Anodyne	
C[C@@H]1CCN(Cc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587583827	HJ	Annotated	Anodyne	
Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2)nn1C	ZINC000587584006	HJ	Annotated	Anodyne	
Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2)nn1C	ZINC000587584007	HJ	Annotated	Anodyne	
Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2)nn1C	ZINC000587584008	HJ	Annotated	Anodyne	
Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2)nn1C	ZINC000587584009	HJ	Annotated	Anodyne	
C[C@@]1(c2cnn(Cc3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587584042	HJ	Annotated	Anodyne	
C[C@]1(c2cnn(Cc3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587584043	HJ	Annotated	Anodyne	
C[C@@]1(c2cnn(Cc3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587584044	HJ	Annotated	Anodyne	
C[C@]1(c2cnn(Cc3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587584045	HJ	Annotated	Anodyne	
Cc1ccccc1N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587584153	HJ	Annotated	Anodyne	
Cc1ccccc1N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587584156	HJ	Annotated	Anodyne	
C[C@]1([C@H]2CCN(Cc3ccccc3)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587584181	HJ	Annotated	Anodyne	
C[C@]1([C@@H]2CCN(Cc3ccccc3)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587584183	HJ	Annotated	Anodyne	
C[C@]1([C@@H]2CCN(Cc3ccccc3)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587584184	HJ	Annotated	Anodyne	
C[C@]1([C@H]2CCN(Cc3ccccc3)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587584185	HJ	Annotated	Anodyne	
Cc1ccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1	ZINC000587584437	HJ	Annotated	Anodyne	
Cc1ccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1	ZINC000587584438	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cnccn2)cc1	ZINC000587584737	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cnccn2)cc1	ZINC000587584741	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cnccn2)cc1	ZINC000587584742	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cnccn2)cc1	ZINC000587584743	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2cccnc2O)c1	ZINC000587584798	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2cccnc2O)c1	ZINC000587584800	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2cccnc2O)c1	ZINC000587584801	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2cccnc2O)c1	ZINC000587584803	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)N1c1ccccc1	ZINC000587584815	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)N1c1ccccc1	ZINC000587584819	HJ	Annotated	Anodyne	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCCC1	ZINC000587585168	HJ	Annotated	Anodyne	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCCC1	ZINC000587585174	HJ	Annotated	Anodyne	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCCC1	ZINC000587585176	HJ	Annotated	Anodyne	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCCC1	ZINC000587585178	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Oc1cccnc12	ZINC000587585227	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Oc1cccnc12	ZINC000587585230	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Oc1cccnc12	ZINC000587585231	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Oc1cccnc12	ZINC000587585234	HJ	Annotated	Anodyne	
CCc1nnc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)o1	ZINC000587585298	HJ	Annotated	Anodyne	
CCc1nnc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)o1	ZINC000587585299	HJ	Annotated	Anodyne	
CCc1nnc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)o1	ZINC000587585300	HJ	Annotated	Anodyne	
CCc1nnc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)o1	ZINC000587585301	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1cnccn1	ZINC000587585482	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1cnccn1	ZINC000587585484	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1cnccn1	ZINC000587585486	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1cnccn1	ZINC000587585488	HJ	Annotated	Anodyne	
N#CC[C@@]1(c2ccc3ncccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587585873	HJ	Annotated	Mild	
N#CC[C@]1(c2ccc3ncccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587585876	HJ	Annotated	Mild	
N#CC[C@@]1(c2ccc3ncccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587585878	HJ	Annotated	Mild	
N#CC[C@]1(c2ccc3ncccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587585879	HJ	Annotated	Mild	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccncc1	ZINC000587585943	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccncc1	ZINC000587585944	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccncc1	ZINC000587585945	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccncc1	ZINC000587585946	HJ	Annotated	Anodyne	
Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587586006	HJ	Annotated	Anodyne	
Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587586008	HJ	Annotated	Anodyne	
Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587586010	HJ	Annotated	Anodyne	
Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587586011	HJ	Annotated	Anodyne	
Nc1ccc2[nH]c3c(c2c1)CCC[C@@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587586071	HJ	Annotated	Anodyne	
Nc1ccc2[nH]c3c(c2c1)CCC[C@@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587586081	HJ	Annotated	Anodyne	
Nc1ccc2[nH]c3c(c2c1)CCC[C@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587586082	HJ	Annotated	Anodyne	
Nc1ccc2[nH]c3c(c2c1)CCC[C@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587586084	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccncc1)c1ccccc1	ZINC000587586189	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccncc1)c1ccccc1	ZINC000587586190	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccncc1)c1ccccc1	ZINC000587586192	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccncc1)c1ccccc1	ZINC000587586193	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2cccnc2)ccc1O	ZINC000587586195	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2cccnc2)ccc1O	ZINC000587586196	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2cccnc2)ccc1O	ZINC000587586197	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2cccnc2)ccc1O	ZINC000587586199	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(OCc2ccccc2)no1	ZINC000587586301	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(OCc2ccccc2)no1	ZINC000587586302	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OCc2ccccc2)no1	ZINC000587586494	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OCc2ccccc2)no1	ZINC000587586497	HJ	Annotated	Anodyne	
COc1ccc(-c2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)no2)cc1	ZINC000587586573	HJ	Annotated	Anodyne	
COc1ccc(-c2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)no2)cc1	ZINC000587586575	HJ	Annotated	Anodyne	
COc1ccc(-c2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)no2)cc1	ZINC000587586577	HJ	Annotated	Anodyne	
COc1ccc(-c2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)no2)cc1	ZINC000587586579	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccc2)ncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587586865	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccc2)ncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587586866	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccc2)ncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587586867	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccc2)ncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587586868	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)on2)c1	ZINC000587586897	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)on2)c1	ZINC000587586898	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)on2)c1	ZINC000587586899	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)on2)c1	ZINC000587586900	HJ	Annotated	Anodyne	
COc1ccccc1-c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1	ZINC000587586931	HJ	Annotated	Anodyne	
COc1ccccc1-c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1	ZINC000587586932	HJ	Annotated	Anodyne	
COc1ccccc1-c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1	ZINC000587586933	HJ	Annotated	Anodyne	
COc1ccccc1-c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1	ZINC000587586934	HJ	Annotated	Anodyne	
COc1ccc2[nH]c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)c2c1	ZINC000587587173	HJ	Annotated	Anodyne	
COc1ccc2[nH]c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)c2c1	ZINC000587587175	HJ	Annotated	Anodyne	
COc1ccc2[nH]c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)c2c1	ZINC000587587176	HJ	Annotated	Anodyne	
COc1ccc2[nH]c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)c2c1	ZINC000587587178	HJ	Annotated	Anodyne	
CC(C)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn12	ZINC000587587427	HJ	Annotated	Anodyne	
CC(C)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn12	ZINC000587587428	HJ	Annotated	Anodyne	
CC(C)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn12	ZINC000587587429	HJ	Annotated	Anodyne	
CC(C)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn12	ZINC000587587430	HJ	Annotated	Anodyne	
CC(C)[C@]1(c2ccc3nc(O)oc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587587506	HJ	Annotated	Anodyne	
CC(C)[C@]1(c2ccc3nc(O)oc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587587509	HJ	Annotated	Anodyne	
CC(C)[C@@]1(c2ccc3nc(O)oc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587587513	HJ	Annotated	Anodyne	
CC(C)[C@@]1(c2ccc3nc(O)oc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587587516	HJ	Annotated	Anodyne	
COc1ccc2c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c2c1	ZINC000587587663	HJ	Annotated	Anodyne	
COc1ccc2c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c2c1	ZINC000587587665	HJ	Annotated	Anodyne	
COc1ccc2c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c2c1	ZINC000587587667	HJ	Annotated	Anodyne	
COc1ccc2c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c2c1	ZINC000587587668	HJ	Annotated	Anodyne	
CCOc1cccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12	ZINC000587587748	HJ	Annotated	Anodyne	
CCOc1cccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12	ZINC000587587753	HJ	Annotated	Anodyne	
CCOc1cccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12	ZINC000587587754	HJ	Annotated	Anodyne	
CCOc1cccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12	ZINC000587587756	HJ	Annotated	Anodyne	
Nc1ccc2c3c([nH]c2c1)[C@@]1(CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587587757	HJ	Annotated	Anodyne	
Nc1ccc2c3c([nH]c2c1)[C@@]1(CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587587758	HJ	Annotated	Anodyne	
Nc1ccc2c3c([nH]c2c1)[C@]1(CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587587760	HJ	Annotated	Anodyne	
Nc1ccc2c3c([nH]c2c1)[C@]1(CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587587762	HJ	Annotated	Anodyne	
O=Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1	ZINC000587587957	HJ	Annotated	Anodyne	
O=Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1	ZINC000587587958	HJ	Annotated	Anodyne	
Cc1cccc([C@@]2(c3cnc[nH]3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C	ZINC000587588015	HJ	Annotated	Anodyne	
Cc1cccc([C@]2(c3cnc[nH]3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C	ZINC000587588017	HJ	Annotated	Anodyne	
Cc1cccc([C@@]2(c3cnc[nH]3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C	ZINC000587588019	HJ	Annotated	Anodyne	
Cc1cccc([C@]2(c3cnc[nH]3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C	ZINC000587588021	HJ	Annotated	Anodyne	
O=Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1	ZINC000587588091	HJ	Annotated	Anodyne	
O=Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1	ZINC000587588094	HJ	Annotated	Anodyne	
Cc1ccc2[nH]c(C(=O)O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1	ZINC000587588198	HJ	Annotated	Anodyne	
Cc1ccc2[nH]c(C(=O)O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1	ZINC000587588213	HJ	Annotated	Anodyne	
Cc1ccc2[nH]c(C(=O)O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1	ZINC000587588214	HJ	Annotated	Anodyne	
Cc1ccc2[nH]c(C(=O)O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1	ZINC000587588215	HJ	Annotated	Anodyne	
O=Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)nc1	ZINC000587588255	HJ	Annotated	Anodyne	
O=Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)nc1	ZINC000587588256	HJ	Annotated	Anodyne	
O=Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)nc1	ZINC000587588257	HJ	Annotated	Anodyne	
O=Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)nc1	ZINC000587588258	HJ	Annotated	Anodyne	
N#CC1(c2ccncc2)CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587588305	HJ	Annotated	Mild	
N#CC1(c2ccncc2)CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587588306	HJ	Annotated	Mild	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H](c1ncccc1O)C2	ZINC000587588486	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H](c1ncccc1O)C2	ZINC000587588497	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H](c1ncccc1O)C2	ZINC000587588498	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H](c1ncccc1O)C2	ZINC000587588499	HJ	Annotated	Anodyne	
CCc1nc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2o1	ZINC000587588635	HJ	Annotated	Anodyne	
CCc1nc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2o1	ZINC000587588643	HJ	Annotated	Anodyne	
CCc1nc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2o1	ZINC000587588644	HJ	Annotated	Anodyne	
CCc1nc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2o1	ZINC000587588646	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2ncccn2)c1	ZINC000587588684	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2ncccn2)c1	ZINC000587588685	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2ncccn2)c1	ZINC000587588686	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2ncccn2)c1	ZINC000587588687	HJ	Annotated	Anodyne	
Cc1ccn2c(C)c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc2c1	ZINC000587589026	HJ	Annotated	Anodyne	
Cc1ccn2c(C)c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc2c1	ZINC000587589032	HJ	Annotated	Anodyne	
Cc1ccn2c(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc2c1	ZINC000587589034	HJ	Annotated	Anodyne	
Cc1ccn2c(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc2c1	ZINC000587589036	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)N1C1CCCC1	ZINC000587589072	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)N1C1CCCC1	ZINC000587589081	HJ	Annotated	Anodyne	
CC(C)(C)c1nc2cncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2o1	ZINC000587589195	HJ	Annotated	Anodyne	
CC(C)(C)c1nc2cncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2o1	ZINC000587589196	HJ	Annotated	Anodyne	
CC(C)(C)c1nc2cncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2o1	ZINC000587589197	HJ	Annotated	Anodyne	
CC(C)(C)c1nc2cncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2o1	ZINC000587589198	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587589199	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587589200	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587589201	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587589202	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2cnccn2)c1	ZINC000587589339	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2cnccn2)c1	ZINC000587589341	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2cnccn2)c1	ZINC000587589342	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2cnccn2)c1	ZINC000587589344	HJ	Annotated	Anodyne	
Cc1[nH]c2ccccc2c1[C@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587589406	HJ	Annotated	Mild	
Cc1[nH]c2ccccc2c1[C@@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587589408	HJ	Annotated	Mild	
Cc1[nH]c2ccccc2c1[C@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587589410	HJ	Annotated	Mild	
Cc1[nH]c2ccccc2c1[C@@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587589413	HJ	Annotated	Mild	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2cc(O)ccn2)c1	ZINC000587589416	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2cc(O)ccn2)c1	ZINC000587589417	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2cc(O)ccn2)c1	ZINC000587589419	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2cc(O)ccn2)c1	ZINC000587589421	HJ	Annotated	Anodyne	
Cc1cccc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)c1	ZINC000587589483	HJ	Annotated	Anodyne	
Cc1cccc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)c1	ZINC000587589484	HJ	Annotated	Anodyne	
Cc1cccc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)c1	ZINC000587589485	HJ	Annotated	Anodyne	
Cc1cccc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)c1	ZINC000587589486	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(C2CCCCC2)nc1	ZINC000587589507	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(C2CCCCC2)nc1	ZINC000587589508	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(C2CCCCC2)nc1	ZINC000587589509	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(C2CCCCC2)nc1	ZINC000587589510	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ncccn2)cc1	ZINC000587589555	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ncccn2)cc1	ZINC000587589556	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ncccn2)cc1	ZINC000587589557	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ncccn2)cc1	ZINC000587589558	HJ	Annotated	Anodyne	
Cc1ccc2c([C@]3(CC#N)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c2c1	ZINC000587589673	HJ	Annotated	Mild	
Cc1ccc2c([C@@]3(CC#N)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c2c1	ZINC000587589674	HJ	Annotated	Mild	
Cc1ccc2c([C@]3(CC#N)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c2c1	ZINC000587589675	HJ	Annotated	Mild	
Cc1ccc2c([C@@]3(CC#N)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c2c1	ZINC000587589676	HJ	Annotated	Mild	
COc1ccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1C	ZINC000587589689	HJ	Annotated	Anodyne	
COc1ccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1C	ZINC000587589690	HJ	Annotated	Anodyne	
COc1ccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1C	ZINC000587589691	HJ	Annotated	Anodyne	
COc1ccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1C	ZINC000587589692	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC(COCc1ccccc1)C2	ZINC000587589827	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC(COCc1ccccc1)C2	ZINC000587589828	HJ	Annotated	Anodyne	
Cc1cc(C)c2nc(O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1	ZINC000587590006	HJ	Annotated	Anodyne	
Cc1cc(C)c2nc(O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1	ZINC000587590014	HJ	Annotated	Anodyne	
Cc1cc(C)c2nc(O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1	ZINC000587590016	HJ	Annotated	Anodyne	
Cc1cc(C)c2nc(O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1	ZINC000587590018	HJ	Annotated	Anodyne	
COc1ccc([C@H](C)[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	ZINC000587590195	HJ	Annotated	Anodyne	
COc1ccc([C@H](C)[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	ZINC000587590196	HJ	Annotated	Anodyne	
COc1ccc([C@H](C)[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	ZINC000587590197	HJ	Annotated	Anodyne	
COc1ccc([C@H](C)[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	ZINC000587590199	HJ	Annotated	Anodyne	
COc1cc(C)c(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	ZINC000587590246	HJ	Annotated	Anodyne	
COc1cc(C)c(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	ZINC000587590250	HJ	Annotated	Anodyne	
COc1cc(C)c(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	ZINC000587590252	HJ	Annotated	Anodyne	
COc1cc(C)c(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	ZINC000587590253	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587590335	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587590336	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587590337	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587590338	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccc2)[nH]c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587590456	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccc2)[nH]c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587590458	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccc2)[nH]c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587590460	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccc2)[nH]c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587590462	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccccn1	ZINC000587590517	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccccn1	ZINC000587590519	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccccn1	ZINC000587590521	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccccn1	ZINC000587590524	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1OC	ZINC000587590564	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1OC	ZINC000587590570	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1OC	ZINC000587590572	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1OC	ZINC000587590574	HJ	Annotated	Anodyne	
CCCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587591129	HJ	Annotated	Anodyne	
CCCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587591132	HJ	Annotated	Anodyne	
C[C@H](OC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1	ZINC000587591133	HJ	Annotated	Anodyne	
CCCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587591135	HJ	Annotated	Anodyne	
C[C@H](OC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1	ZINC000587591136	HJ	Annotated	Anodyne	
CCCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587591137	HJ	Annotated	Anodyne	
C[C@H](OC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1	ZINC000587591138	HJ	Annotated	Anodyne	
C[C@H](OC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1	ZINC000587591141	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC1CC1	ZINC000587591184	HJ	Annotated	Anodyne	
COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC1CC1	ZINC000587591189	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC1CC1	ZINC000587591191	HJ	Annotated	Anodyne	
COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC1CC1	ZINC000587591193	HJ	Annotated	Anodyne	
COc1ccc2[nH]cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1	ZINC000587591608	HJ	Annotated	Anodyne	
COc1ccc2[nH]cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1	ZINC000587591611	HJ	Annotated	Anodyne	
COc1ccc2[nH]cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1	ZINC000587591613	HJ	Annotated	Anodyne	
COc1ccc2[nH]cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1	ZINC000587591616	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)CC12CC([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)(C1)C2	ZINC000587591692	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)CC12CC([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)(C1)C2	ZINC000587591693	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)CC12CC([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)(C1)C2	ZINC000587591694	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)CC12CC([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)(C1)C2	ZINC000587591695	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1CN1CCCC1	ZINC000587592072	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1CN1CCCC1	ZINC000587592073	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1CN1CCCC1	ZINC000587592074	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1CN1CCCC1	ZINC000587592075	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(OCC2CC2)c1	ZINC000587592153	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(OCC2CC2)c1	ZINC000587592155	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(OCC2CC2)c1	ZINC000587592156	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(OCC2CC2)c1	ZINC000587592157	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587592534	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587592536	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587592538	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587592539	HJ	Annotated	Anodyne	
CCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2	ZINC000587592559	HJ	Annotated	Anodyne	
CCOc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2	ZINC000587592560	HJ	Annotated	Anodyne	
CCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2	ZINC000587592561	HJ	Annotated	Anodyne	
CCOc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2	ZINC000587592562	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(N3CCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587592649	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(N3CCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587592652	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc(N3CCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587592654	HJ	Annotated	Anodyne	
C[C@]1(c2ccc(N3CCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587592657	HJ	Annotated	Anodyne	
COC(=O)CCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587592731	HJ	Annotated	Anodyne	
COC(=O)CCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587592732	HJ	Annotated	Anodyne	
COC(=O)CCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587592733	HJ	Annotated	Anodyne	
COC(=O)CCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587592734	HJ	Annotated	Anodyne	
COc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1OC	ZINC000587592735	HJ	Annotated	Anodyne	
COc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1OC	ZINC000587592736	HJ	Annotated	Anodyne	
COc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1OC	ZINC000587592737	HJ	Annotated	Anodyne	
COc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1OC	ZINC000587592738	HJ	Annotated	Anodyne	
CCOc1ccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1	ZINC000587593014	HJ	Annotated	Anodyne	
CCOc1ccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1	ZINC000587593015	HJ	Annotated	Anodyne	
CCOc1ccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1	ZINC000587593016	HJ	Annotated	Anodyne	
CCOc1ccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1	ZINC000587593017	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587593064	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587593065	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587593066	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587593067	HJ	Annotated	Anodyne	
CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	ZINC000587593161	HJ	Annotated	Anodyne	
CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	ZINC000587593163	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC(=O)OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587593218	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC(=O)OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587593220	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC(=O)OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587593222	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC(=O)OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587593223	HJ	Annotated	Anodyne	
CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	ZINC000587593405	HJ	Annotated	Anodyne	
CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	ZINC000587593406	HJ	Annotated	Anodyne	
CCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1	ZINC000587593479	HJ	Annotated	Anodyne	
CCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1	ZINC000587593480	HJ	Annotated	Anodyne	
CCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1	ZINC000587593481	HJ	Annotated	Anodyne	
CCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1	ZINC000587593482	HJ	Annotated	Anodyne	
CCOc1cc(CC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O	ZINC000587593487	HJ	Annotated	Anodyne	
CCOc1cc(CC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O	ZINC000587593488	HJ	Annotated	Anodyne	
CCOc1cc(CC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O	ZINC000587593489	HJ	Annotated	Anodyne	
CCOc1cc(CC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O	ZINC000587593490	HJ	Annotated	Anodyne	
COCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587593503	HJ	Annotated	Anodyne	
COCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587593504	HJ	Annotated	Anodyne	
COCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587593762	HJ	Annotated	Anodyne	
COCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587593763	HJ	Annotated	Anodyne	
CCOc1ccc(OCC)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587593793	HJ	Annotated	Anodyne	
CCOc1ccc(OCC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587593797	HJ	Annotated	Anodyne	
CCOc1ccc(OCC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587593798	HJ	Annotated	Anodyne	
CCOc1ccc(OCC)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587593800	HJ	Annotated	Anodyne	
CCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC	ZINC000587593892	HJ	Annotated	Anodyne	
CCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC	ZINC000587593893	HJ	Annotated	Anodyne	
CCCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC	ZINC000587593896	HJ	Annotated	Anodyne	
CCCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC	ZINC000587593898	HJ	Annotated	Anodyne	
CC(C)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1	ZINC000587594019	HJ	Annotated	Anodyne	
CC(C)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1	ZINC000587594021	HJ	Annotated	Anodyne	
CC(C)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1	ZINC000587594023	HJ	Annotated	Anodyne	
CC(C)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1	ZINC000587594026	HJ	Annotated	Anodyne	
CC(C)[C@]1(COCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587594255	HJ	Annotated	Anodyne	
CC(C)[C@@]1(COCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587594256	HJ	Annotated	Anodyne	
CC(C)[C@]1(COCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587594257	HJ	Annotated	Anodyne	
CC(C)[C@@]1(COCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587594258	HJ	Annotated	Anodyne	
C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC	ZINC000587594267	HJ	Annotated	Mild	
C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC	ZINC000587594268	HJ	Annotated	Mild	
C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC	ZINC000587594269	HJ	Annotated	Mild	
C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC	ZINC000587594270	HJ	Annotated	Mild	
C#CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC	ZINC000587594299	HJ	Annotated	Mild	
C#CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC	ZINC000587594300	HJ	Annotated	Mild	
C#CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC	ZINC000587594301	HJ	Annotated	Mild	
C#CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC	ZINC000587594302	HJ	Annotated	Mild	
CCOc1cc(OC)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587594392	HJ	Annotated	Anodyne	
CCOc1cc(OC)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587594393	HJ	Annotated	Anodyne	
CCOc1cc(OC)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587594394	HJ	Annotated	Anodyne	
CCOc1cc(OC)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587594395	HJ	Annotated	Anodyne	
C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1O	ZINC000587594457	HJ	Annotated	Mild	
C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1O	ZINC000587594461	HJ	Annotated	Mild	
C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1O	ZINC000587594464	HJ	Annotated	Mild	
C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1O	ZINC000587594467	HJ	Annotated	Mild	
CCOC(=O)C[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587594727	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587594728	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587594729	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587594730	HJ	Annotated	Anodyne	
CC(C)N1CCc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21	ZINC000587595040	HJ	Annotated	Anodyne	
CC(C)N1CCc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21	ZINC000587595043	HJ	Annotated	Anodyne	
CC(C)N1CCc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21	ZINC000587595044	HJ	Annotated	Anodyne	
CC(C)N1CCc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21	ZINC000587595046	HJ	Annotated	Anodyne	
C[C@H](C(=O)OC(C)(C)C)[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587595363	HJ	Annotated	Anodyne	
C[C@H](C(=O)OC(C)(C)C)[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587595366	HJ	Annotated	Anodyne	
C[C@H](C(=O)OC(C)(C)C)[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587595368	HJ	Annotated	Anodyne	
C[C@H](C(=O)OC(C)(C)C)[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587595370	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587595588	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587595590	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587595591	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587595593	HJ	Annotated	Anodyne	
COc1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	ZINC000587595812	HJ	Annotated	Anodyne	
COc1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	ZINC000587595814	HJ	Annotated	Anodyne	
COc1cc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	ZINC000587595816	HJ	Annotated	Anodyne	
COc1cc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	ZINC000587595818	HJ	Annotated	Anodyne	
CC[C@@]1(Cc2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587595828	HJ	Annotated	Anodyne	
CC[C@]1(Cc2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587595833	HJ	Annotated	Anodyne	
CC[C@@]1(Cc2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587595834	HJ	Annotated	Anodyne	
CC[C@]1(Cc2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587595835	HJ	Annotated	Anodyne	
CCOc1c(OC)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	ZINC000587595929	HJ	Annotated	Anodyne	
CCOc1c(OC)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	ZINC000587595930	HJ	Annotated	Anodyne	
CCOc1c(OC)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	ZINC000587595931	HJ	Annotated	Anodyne	
CCOc1c(OC)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	ZINC000587595932	HJ	Annotated	Anodyne	
CCCCC[C@H](C(=O)OCC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587595984	HJ	Annotated	Anodyne	
CCCCC[C@H](C(=O)OCC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587595986	HJ	Annotated	Anodyne	
CCCCC[C@H](C(=O)OCC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587595987	HJ	Annotated	Anodyne	
CCCCC[C@H](C(=O)OCC)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587595989	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CC2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587596002	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CC2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587596003	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CC2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587596005	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CC2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587596006	HJ	Annotated	Anodyne	
COc1ccc([C@H](C)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	ZINC000587596020	HJ	Annotated	Anodyne	
COc1ccc([C@H](C)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	ZINC000587596026	HJ	Annotated	Anodyne	
COc1ccc([C@H](C)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	ZINC000587596028	HJ	Annotated	Anodyne	
COc1ccc([C@H](C)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	ZINC000587596030	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587596110	HJ	Annotated	Anodyne	
COC(=O)CC[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587596112	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587596114	HJ	Annotated	Anodyne	
COC(=O)CC[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587596116	HJ	Annotated	Anodyne	
C[C@@]1(CCc2n[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587596273	HJ	Annotated	Anodyne	
C[C@@]1(CCc2n[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587596274	HJ	Annotated	Anodyne	
C[C@]1(CCc2n[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587596275	HJ	Annotated	Anodyne	
C[C@]1(CCc2n[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587596276	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)cc1OC	ZINC000587596368	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)cc1OC	ZINC000587596371	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)cc1OC	ZINC000587596373	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)cc1OC	ZINC000587596374	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(C)CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587596859	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(C)CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587596861	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(C)CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587596863	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(C)CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587596865	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCCN(Cc1ccccc1)C2	ZINC000587597010	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCN(Cc1ccccc1)C2	ZINC000587597011	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCN(Cc1ccccc1)C2	ZINC000587597012	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCCN(Cc1ccccc1)C2	ZINC000587597013	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CN2CCCC2)c1	ZINC000587597108	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CN2CCCC2)c1	ZINC000587597109	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CN2CCCC2)c1	ZINC000587597110	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CN2CCCC2)c1	ZINC000587597111	HJ	Annotated	Anodyne	
C#CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CC=C	ZINC000587597123	HJ	Annotated	Mild	
C#CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CC=C	ZINC000587597124	HJ	Annotated	Mild	
C#CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CC=C	ZINC000587597125	HJ	Annotated	Mild	
C#CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CC=C	ZINC000587597126	HJ	Annotated	Mild	
COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC(C)C	ZINC000587597127	HJ	Annotated	Anodyne	
COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC(C)C	ZINC000587597128	HJ	Annotated	Anodyne	
COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC(C)C	ZINC000587597129	HJ	Annotated	Anodyne	
COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC(C)C	ZINC000587597130	HJ	Annotated	Anodyne	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(C)C	ZINC000587597221	HJ	Annotated	Anodyne	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(C)C	ZINC000587597223	HJ	Annotated	Anodyne	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(C)C	ZINC000587597224	HJ	Annotated	Anodyne	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(C)C	ZINC000587597225	HJ	Annotated	Anodyne	
CCN1CCCc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21	ZINC000587597388	HJ	Annotated	Anodyne	
CCN1CCCc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21	ZINC000587597390	HJ	Annotated	Anodyne	
CCN1CCCc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21	ZINC000587597392	HJ	Annotated	Anodyne	
CCN1CCCc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21	ZINC000587597394	HJ	Annotated	Anodyne	
C/C=C\C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587597538	HJ	Annotated	Anodyne	
C/C=C/C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587597542	HJ	Annotated	Anodyne	
C/C=C\C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587597546	HJ	Annotated	Anodyne	
C/C=C/C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587597550	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]2N1CCCCCC1	ZINC000587597601	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@H]2N1CCCCCC1	ZINC000587597606	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]2N1CCCCCC1	ZINC000587597612	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@@H]2N1CCCCCC1	ZINC000587597616	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)C1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587597849	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)C1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587597852	HJ	Annotated	Anodyne	
COCCCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587598061	HJ	Annotated	Anodyne	
COCCCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587598063	HJ	Annotated	Anodyne	
COCCCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587598065	HJ	Annotated	Anodyne	
COCCCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587598067	HJ	Annotated	Anodyne	
CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC)c1	ZINC000587598361	HJ	Annotated	Anodyne	
CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC)c1	ZINC000587598362	HJ	Annotated	Anodyne	
CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC)c1	ZINC000587598363	HJ	Annotated	Anodyne	
CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC)c1	ZINC000587598365	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587598396	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587598397	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587598398	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587598399	HJ	Annotated	Anodyne	
CCCOc1c(OC)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587598425	HJ	Annotated	Anodyne	
CCCOc1c(OC)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587598427	HJ	Annotated	Anodyne	
CCCOc1c(OC)cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587598429	HJ	Annotated	Anodyne	
CCCOc1c(OC)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587598430	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC)cc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587598531	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC)cc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587598533	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC)cc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587598534	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC)cc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587598535	HJ	Annotated	Anodyne	
CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC	ZINC000587598739	HJ	Annotated	Anodyne	
CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC	ZINC000587598740	HJ	Annotated	Anodyne	
CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC	ZINC000587598741	HJ	Annotated	Anodyne	
CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC	ZINC000587598742	HJ	Annotated	Anodyne	
C=CCOc1c(OC)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587598755	HJ	Annotated	Mild	
C=CCOc1c(OC)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587598756	HJ	Annotated	Mild	
C=CCOc1c(OC)cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587598757	HJ	Annotated	Mild	
C=CCOc1c(OC)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587598758	HJ	Annotated	Mild	
COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC(C)C)c1	ZINC000587598800	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC(C)C)c1	ZINC000587598801	HJ	Annotated	Anodyne	
COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC(C)C)c1	ZINC000587598802	HJ	Annotated	Anodyne	
COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC(C)C)c1	ZINC000587598803	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587598832	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587598833	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587598834	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587598835	HJ	Annotated	Anodyne	
CCOC(OCC)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587598873	HJ	Annotated	Anodyne	
CCOC(OCC)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587598877	HJ	Annotated	Anodyne	
CCOC(OCC)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587598879	HJ	Annotated	Anodyne	
CCOC(OCC)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587598881	HJ	Annotated	Anodyne	
CC(C)=C1NCCc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21	ZINC000587598940	HJ	Annotated	Anodyne	
CC(C)=C1NCCc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21	ZINC000587598943	HJ	Annotated	Anodyne	
CC(C)=C1NCCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21	ZINC000587598945	HJ	Annotated	Anodyne	
CC(C)=C1NCCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21	ZINC000587598947	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC(C)C	ZINC000587599008	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC(C)C	ZINC000587599010	HJ	Annotated	Anodyne	
COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC(C)C	ZINC000587599012	HJ	Annotated	Anodyne	
COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC(C)C	ZINC000587599014	HJ	Annotated	Anodyne	
C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OCC)c1O	ZINC000587599207	HJ	Annotated	Mild	
C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OCC)c1O	ZINC000587599210	HJ	Annotated	Mild	
C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OCC)c1O	ZINC000587599212	HJ	Annotated	Mild	
C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OCC)c1O	ZINC000587599214	HJ	Annotated	Mild	
COc1ccc2c(c1)C(C)(C)C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587599215	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C(C)(C)C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587599218	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C(C)(C)C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587599219	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C(C)(C)C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587599221	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587599335	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587599338	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587599340	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587599342	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CCCC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587599404	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CCCC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587599405	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CCCC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587599406	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CCCC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587599407	HJ	Annotated	Anodyne	
CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCC	ZINC000587599412	HJ	Annotated	Anodyne	
CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCC	ZINC000587599413	HJ	Annotated	Anodyne	
CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCC	ZINC000587599414	HJ	Annotated	Anodyne	
CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCC	ZINC000587599416	HJ	Annotated	Anodyne	
COc1ccc2c(c1OC)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587599553	HJ	Annotated	Anodyne	
COc1ccc2c(c1OC)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587599556	HJ	Annotated	Anodyne	
COc1ccc2c(c1OC)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587599558	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587599560	HJ	Annotated	Anodyne	
COc1ccc2c(c1OC)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587599561	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587599562	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587599564	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587599565	HJ	Annotated	Anodyne	
COc1ccccc1C[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587599700	HJ	Annotated	Anodyne	
COc1ccccc1C[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587599702	HJ	Annotated	Anodyne	
COc1ccccc1C[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587599704	HJ	Annotated	Anodyne	
COc1ccccc1C[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587599706	HJ	Annotated	Anodyne	
C=CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	ZINC000587599775	HJ	Annotated	Mild	
C=CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	ZINC000587599776	HJ	Annotated	Mild	
C=CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	ZINC000587599777	HJ	Annotated	Mild	
C=CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	ZINC000587599778	HJ	Annotated	Mild	
COc1ccc2c(c1)CCCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587599795	HJ	Annotated	Anodyne	
COc1ccc2c(c1)CCCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587599796	HJ	Annotated	Anodyne	
COc1ccc2c(c1)CCCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587599797	HJ	Annotated	Anodyne	
COc1ccc2c(c1)CCCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587599798	HJ	Annotated	Anodyne	
CC(=O)Oc1ccc(CC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587600053	HJ	Annotated	Anodyne	
CC(=O)Oc1ccc(CC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587600054	HJ	Annotated	Anodyne	
CC(=O)Oc1ccc(CC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587600055	HJ	Annotated	Anodyne	
CC(=O)Oc1ccc(CC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587600056	HJ	Annotated	Anodyne	
COc1ccc([C@H]2C[C@@H]2[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587600155	HJ	Annotated	Anodyne	
COc1ccc([C@H]2C[C@@H]2[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587600156	HJ	Annotated	Anodyne	
COc1ccc([C@H]2C[C@@H]2[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587600157	HJ	Annotated	Anodyne	
COc1ccc([C@H]2C[C@@H]2[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587600158	HJ	Annotated	Anodyne	
CC1(C)[C@H](Oc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587600171	HJ	Annotated	Anodyne	
CC1(C)[C@H](Oc2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587600172	HJ	Annotated	Anodyne	
CC1(C)[C@H](Oc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587600173	HJ	Annotated	Anodyne	
CC1(C)[C@H](Oc2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587600174	HJ	Annotated	Anodyne	
O=C(O)CCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587600427	HJ	Annotated	Anodyne	
O=C(O)CCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587600428	HJ	Annotated	Anodyne	
O=C(O)CCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587600429	HJ	Annotated	Anodyne	
O=C(O)CCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587600431	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587600489	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587600491	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587600492	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587600494	HJ	Annotated	Anodyne	
COc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2	ZINC000587600577	HJ	Annotated	Anodyne	
COc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2	ZINC000587600580	HJ	Annotated	Anodyne	
COc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2	ZINC000587600582	HJ	Annotated	Anodyne	
COc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2	ZINC000587600585	HJ	Annotated	Anodyne	
CC(=O)Oc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1	ZINC000587600590	HJ	Annotated	Anodyne	
CC(=O)Oc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1	ZINC000587600596	HJ	Annotated	Anodyne	
CC(=O)Oc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1	ZINC000587600598	HJ	Annotated	Anodyne	
CC(=O)Oc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1	ZINC000587600600	HJ	Annotated	Anodyne	
COc1ccc(OC)c2c1CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587600646	HJ	Annotated	Anodyne	
COc1ccc(OC)c2c1CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587600649	HJ	Annotated	Anodyne	
COc1ccc(OC)c2c1CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587600652	HJ	Annotated	Anodyne	
COc1ccc(OC)c2c1CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587600654	HJ	Annotated	Anodyne	
COc1ccc(C)c2c1CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587601024	HJ	Annotated	Anodyne	
COc1ccc(C)c2c1CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587601025	HJ	Annotated	Anodyne	
COc1ccc(C)c2c1CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587601026	HJ	Annotated	Anodyne	
COc1ccc(C)c2c1CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587601027	HJ	Annotated	Anodyne	
Cc1ccc(C)c([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587601582	HJ	Annotated	Anodyne	
Cc1ccc(C)c([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587601587	HJ	Annotated	Anodyne	
Cc1ccc(C)c([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587601589	HJ	Annotated	Anodyne	
Cc1ccc(C)c([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587601591	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C	ZINC000587601816	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C	ZINC000587601818	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C	ZINC000587601820	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C	ZINC000587601822	HJ	Annotated	Anodyne	
CC/C=C/C[C@H]1[C@H](CC(=O)O)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587601885	HJ	Annotated	Anodyne	
CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587601895	HJ	Annotated	Anodyne	
CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587601897	HJ	Annotated	Anodyne	
CC/C=C/C[C@H]1[C@H](CC(=O)O)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587601900	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587601955	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587601958	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587601960	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587601962	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@H](C)[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587602209	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@H](C)[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587602210	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@H](C)[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587602211	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@H](C)[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587602213	HJ	Annotated	Anodyne	
CC(=O)c1cc(C(C)=O)cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587602340	HJ	Annotated	Anodyne	
CC(=O)c1cc(C(C)=O)cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587602341	HJ	Annotated	Anodyne	
CC(=O)c1cc(C(C)=O)cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587602342	HJ	Annotated	Anodyne	
CC(=O)c1cc(C(C)=O)cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587602343	HJ	Annotated	Anodyne	
CC(=O)Oc1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C	ZINC000587602474	HJ	Annotated	Anodyne	
CC(=O)Oc1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C	ZINC000587602476	HJ	Annotated	Anodyne	
CC(=O)Oc1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C	ZINC000587602477	HJ	Annotated	Anodyne	
CC(=O)Oc1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C	ZINC000587602479	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587602546	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587602547	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587602548	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587602549	HJ	Annotated	Anodyne	
O=C(O)CCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587602636	HJ	Annotated	Anodyne	
O=C(O)CCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587602638	HJ	Annotated	Anodyne	
O=C(O)CCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587602640	HJ	Annotated	Anodyne	
O=C(O)CCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587602642	HJ	Annotated	Anodyne	
COc1cccc(C[C@@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587602839	HJ	Annotated	Anodyne	
COc1cccc(C[C@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587602841	HJ	Annotated	Anodyne	
COc1cccc(C[C@@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587602843	HJ	Annotated	Anodyne	
COc1cccc(C[C@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587602845	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC(C)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587602856	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC(C)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587602861	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC(C)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587602864	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC(C)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587602867	HJ	Annotated	Anodyne	
O=C1c2ccccc2C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587603272	HJ	Annotated	Anodyne	
O=C1c2ccccc2C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21	ZINC000587603277	HJ	Annotated	Anodyne	
O=Cc1cccc([C@]2(C3CCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587603971	HJ	Annotated	Anodyne	
O=Cc1cccc([C@@]2(C3CCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587603972	HJ	Annotated	Anodyne	
O=Cc1cccc([C@]2(C3CCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587603973	HJ	Annotated	Anodyne	
O=Cc1cccc([C@@]2(C3CCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587603974	HJ	Annotated	Anodyne	
CCc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587604704	HJ	Annotated	Anodyne	
CCc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587604705	HJ	Annotated	Anodyne	
CCc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587604706	HJ	Annotated	Anodyne	
CCc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587604707	HJ	Annotated	Anodyne	
CC(=O)SC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587605038	HJ	Annotated	Anodyne	
CC(=O)SC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587605040	HJ	Annotated	Anodyne	
CC(=O)SC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587605042	HJ	Annotated	Anodyne	
CC(=O)SC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587605043	HJ	Annotated	Anodyne	
C[C@]1(CSc2ccccc2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587605198	HJ	Annotated	Anodyne	
C[C@@]1(CSc2ccccc2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587605199	HJ	Annotated	Anodyne	
C[C@]1(CSc2ccccc2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587605201	HJ	Annotated	Anodyne	
C[C@@]1(CSc2ccccc2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587605202	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1	ZINC000587605237	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1	ZINC000587605239	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1	ZINC000587605240	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1	ZINC000587605242	HJ	Annotated	Anodyne	
Cc1cccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587605398	HJ	Annotated	Anodyne	
Cc1cccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587605400	HJ	Annotated	Anodyne	
Cc1cccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587605401	HJ	Annotated	Anodyne	
Cc1cccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587605403	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1cc(O)ccc1-c1ccc(O)cc12	ZINC000587605521	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1cc(O)ccc1-c1ccc(O)cc12	ZINC000587605522	HJ	Annotated	Anodyne	
O=C(O)c1ccc2c(c1)CCCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587605555	HJ	Annotated	Anodyne	
O=C(O)c1ccc2c(c1)CCCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587605556	HJ	Annotated	Anodyne	
O=C(O)c1ccc2c(c1)CCCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587605557	HJ	Annotated	Anodyne	
O=C(O)c1ccc2c(c1)CCCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587605558	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc3c(c2)CCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587605646	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc3c(c2)CCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587605648	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc3c(c2)CCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587605649	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc3c(c2)CCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587605650	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1CCOCC1	ZINC000587605726	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1CCOCC1	ZINC000587605732	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1CCOCC1	ZINC000587605735	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1CCOCC1	ZINC000587605738	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1CC21CCOCC1	ZINC000587605782	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1CC21CCOCC1	ZINC000587605787	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1CC21CCOCC1	ZINC000587605789	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1CC21CCOCC1	ZINC000587605790	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H](O)c1ccccc1	ZINC000587605939	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@@H](O)c1ccccc1	ZINC000587605940	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H](O)c1ccccc1	ZINC000587605941	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H](O)c1ccccc1	ZINC000587605942	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H](O)c1ccccc1	ZINC000587605943	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H](O)c1ccccc1	ZINC000587605944	HJ	Annotated	Anodyne	
CC(C)(C)c1cc(C=O)c(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587605979	HJ	Annotated	Anodyne	
CC(C)(C)c1cc(C=O)c(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587605980	HJ	Annotated	Anodyne	
CC(C)(C)c1cc(C=O)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587605981	HJ	Annotated	Anodyne	
CC(C)(C)c1cc(C=O)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587605982	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)coc2c1	ZINC000587606498	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)coc2c1	ZINC000587606499	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)coc2c1	ZINC000587606500	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)coc2c1	ZINC000587606501	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OC1CCOCC1	ZINC000587606817	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OC1CCOCC1	ZINC000587606818	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OC1CCOCC1	ZINC000587606819	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OC1CCOCC1	ZINC000587606820	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(CO)(c1ccccc1)CC2	ZINC000587607279	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(CO)(c1ccccc1)CC2	ZINC000587607280	HJ	Annotated	Anodyne	
C[C@]1(CSc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587607347	HJ	Annotated	Bother	
C[C@@]1(CSc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587607351	HJ	Annotated	Bother	
C[C@]1(CSc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587607352	HJ	Annotated	Bother	
C[C@@]1(CSc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587607354	HJ	Annotated	Bother	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1(O)CCCCC1	ZINC000587608254	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1(O)CCCCC1	ZINC000587608255	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1(O)CCCCC1	ZINC000587608256	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1(O)CCCCC1	ZINC000587608257	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(/C=C1\CCCO1)c1ccccc1	ZINC000587608368	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(/C=C1/CCCO1)c1ccccc1	ZINC000587608370	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(/C=C1\CCCO1)c1ccccc1	ZINC000587608371	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(/C=C1/CCCO1)c1ccccc1	ZINC000587608372	HJ	Annotated	Anodyne	
CC[C@H](C)Sc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587608518	HJ	Annotated	Anodyne	
CC[C@H](C)Sc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587608519	HJ	Annotated	Anodyne	
CC[C@H](C)Sc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587608623	HJ	Annotated	Anodyne	
CC[C@H](C)Sc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587608626	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC	ZINC000587608732	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC	ZINC000587608740	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC	ZINC000587608741	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC	ZINC000587608742	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(O)(c1ccccc1)CC2	ZINC000587608858	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(O)(c1ccccc1)CC2	ZINC000587608868	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCOc1cc3c(cc12)CCC3	ZINC000587609210	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCOc1cc3c(cc12)CCC3	ZINC000587609211	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCOc1cc3c(cc12)CCC3	ZINC000587609212	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCOc1cc3c(cc12)CCC3	ZINC000587609213	HJ	Annotated	Anodyne	
Cc1cc2occ([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2cc1C	ZINC000587609537	HJ	Annotated	Anodyne	
Cc1cc2occ([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2cc1C	ZINC000587609538	HJ	Annotated	Anodyne	
Cc1cc2occ([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2cc1C	ZINC000587609540	HJ	Annotated	Anodyne	
Cc1cc2occ([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2cc1C	ZINC000587609541	HJ	Annotated	Anodyne	
CCCOc1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587609542	HJ	Annotated	Anodyne	
CCCOc1ccc2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587609543	HJ	Annotated	Anodyne	
CCCOc1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587609544	HJ	Annotated	Anodyne	
CCCOc1ccc2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587609545	HJ	Annotated	Anodyne	
Cc1cc(=O)oc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc12	ZINC000587609598	HJ	Annotated	Anodyne	
Cc1cc(=O)oc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc12	ZINC000587609599	HJ	Annotated	Anodyne	
Cc1cc(=O)oc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc12	ZINC000587609600	HJ	Annotated	Anodyne	
Cc1cc(=O)oc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc12	ZINC000587609601	HJ	Annotated	Anodyne	
CN(C)C(=O)Sc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587609853	HJ	Annotated	Anodyne	
CN(C)C(=O)Sc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587609856	HJ	Annotated	Anodyne	
CN(C)C(=O)Sc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587609858	HJ	Annotated	Anodyne	
CN(C)C(=O)Sc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587609862	HJ	Annotated	Anodyne	
C[C@]1(c2csc(C(=O)CCl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587609898	HJ	Annotated	Reactive	
C[C@@]1(c2csc(C(=O)CCl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587609911	HJ	Annotated	Reactive	
C[C@@]1(c2csc(C(=O)CCl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587609912	HJ	Annotated	Reactive	
C[C@]1(c2csc(C(=O)CCl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587609914	HJ	Annotated	Reactive	
Cc1ccccc1C1([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCOCC1	ZINC000587610110	HJ	Annotated	Anodyne	
Cc1ccccc1C1([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCOCC1	ZINC000587610123	HJ	Annotated	Anodyne	
Cc1ccccc1C1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCOCC1	ZINC000587610124	HJ	Annotated	Anodyne	
Cc1ccccc1C1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCOCC1	ZINC000587610125	HJ	Annotated	Anodyne	
CC(=O)c1csc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587610132	HJ	Annotated	Reactive	
CC(=O)c1csc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587610134	HJ	Annotated	Reactive	
CC(=O)c1csc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587610136	HJ	Annotated	Reactive	
CC(=O)c1csc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587610138	HJ	Annotated	Reactive	
CC(C)[C@@]1(c2ccc3c(c2)CCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587610142	HJ	Annotated	Anodyne	
CC(C)[C@]1(c2ccc3c(c2)CCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587610143	HJ	Annotated	Anodyne	
CC(C)[C@@]1(c2ccc3c(c2)CCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587610144	HJ	Annotated	Anodyne	
CC(C)[C@]1(c2ccc3c(c2)CCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587610145	HJ	Annotated	Anodyne	
CC(C)=C1Oc2cc(O)ccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587610157	HJ	Annotated	Anodyne	
CC(C)=C1Oc2cc(O)ccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587610162	HJ	Annotated	Anodyne	
CC(C)=C1Oc2cc(O)ccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587610165	HJ	Annotated	Anodyne	
CC(C)=C1Oc2cc(O)ccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587610166	HJ	Annotated	Anodyne	
Cc1cc(C)c2occ([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2c1	ZINC000587610222	HJ	Annotated	Anodyne	
Cc1cc(C)c2occ([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2c1	ZINC000587610224	HJ	Annotated	Anodyne	
Cc1cc(C)c2occ([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2c1	ZINC000587610227	HJ	Annotated	Anodyne	
Cc1cc(C)c2occ([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2c1	ZINC000587610228	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1CCN(Cc2cccs2)CC1	ZINC000587610497	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1CCN(Cc2cccs2)CC1	ZINC000587610498	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1CCN(Cc2cccs2)CC1	ZINC000587610499	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1CCN(Cc2cccs2)CC1	ZINC000587610501	HJ	Annotated	Anodyne	
CCC[C@@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587610572	HJ	Annotated	Anodyne	
CCC[C@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587610575	HJ	Annotated	Anodyne	
CCC[C@@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587610578	HJ	Annotated	Anodyne	
CCC[C@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587610580	HJ	Annotated	Anodyne	
Cc1ccc2occ([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2c1	ZINC000587610623	HJ	Annotated	Anodyne	
Cc1ccc2occ([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2c1	ZINC000587610625	HJ	Annotated	Anodyne	
Cc1ccc2occ([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2c1	ZINC000587610626	HJ	Annotated	Anodyne	
Cc1ccc2occ([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2c1	ZINC000587610627	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CSC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587610823	HJ	Annotated	Reactive	
Cc1ccc([C@@]2(CSC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587610826	HJ	Annotated	Reactive	
Cc1ccc([C@]2(CSC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587610830	HJ	Annotated	Reactive	
Cc1ccc([C@]2(CSC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587610833	HJ	Annotated	Reactive	
CCCCNc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1	ZINC000587610834	HJ	Annotated	Anodyne	
CCCCNc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1	ZINC000587610841	HJ	Annotated	Anodyne	
CCCCNc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1	ZINC000587610845	HJ	Annotated	Anodyne	
CCCCNc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1	ZINC000587610849	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1ccc(O)cc12	ZINC000587610853	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccc(O)cc12	ZINC000587610857	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1ccc(O)cc12	ZINC000587610859	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccc(O)cc12	ZINC000587610863	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC1(CCC1)Oc1ccccc12	ZINC000587610878	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC1(CCC1)Oc1ccccc12	ZINC000587610889	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC1(CCC1)Oc1ccccc12	ZINC000587610890	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC1(CCC1)Oc1ccccc12	ZINC000587610891	HJ	Annotated	Anodyne	
CCOC(=O)CC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587610906	HJ	Annotated	Anodyne	
CCOC(=O)CC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587610908	HJ	Annotated	Anodyne	
CCOC(=O)CC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587610909	HJ	Annotated	Anodyne	
CCOC(=O)CC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587610912	HJ	Annotated	Anodyne	
C[C@@]1(c2cc(CN3CCCC3)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587611153	HJ	Annotated	Anodyne	
C[C@@]1(c2cc(CN3CCCC3)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587611156	HJ	Annotated	Anodyne	
C[C@]1(c2cc(CN3CCCC3)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587611157	HJ	Annotated	Anodyne	
C[C@]1(c2cc(CN3CCCC3)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587611159	HJ	Annotated	Anodyne	
CC(C)(C)c1cc(O)c(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587611247	HJ	Annotated	Clean	
CC(C)(C)c1cc(O)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587611250	HJ	Annotated	Clean	
CC(C)(C)c1cc(O)c(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587611252	HJ	Annotated	Clean	
CC(C)(C)c1cc(O)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587611254	HJ	Annotated	Clean	
C=CCc1c(O)ccc2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587611295	HJ	Annotated	Mild	
C=CCc1c(O)ccc2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587611305	HJ	Annotated	Mild	
C=CCc1c(O)ccc2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587611307	HJ	Annotated	Mild	
C=CCc1c(O)ccc2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587611309	HJ	Annotated	Mild	
Cc1nc(N2CCCCC2)sc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587611465	HJ	Annotated	Anodyne	
Cc1nc(N2CCCCC2)sc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587611466	HJ	Annotated	Anodyne	
COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1SC	ZINC000587611560	HJ	Annotated	Anodyne	
COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1SC	ZINC000587611561	HJ	Annotated	Anodyne	
COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1SC	ZINC000587611562	HJ	Annotated	Anodyne	
COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1SC	ZINC000587611563	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sccc1Br	ZINC000587611564	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sccc1Br	ZINC000587611565	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sccc1Br	ZINC000587611566	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sccc1Br	ZINC000587611567	HJ	Annotated	Anodyne	
C[C@@]1(c2cc([N+](=O)[O-])c(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587611653	HJ	Annotated	Bother	
C[C@]1(c2cc([N+](=O)[O-])c(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587611656	HJ	Annotated	Bother	
C[C@]1(c2cc([N+](=O)[O-])c(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587611657	HJ	Annotated	Bother	
C[C@@]1(c2cc([N+](=O)[O-])c(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587611658	HJ	Annotated	Bother	
Cc1nc(N2CCCCC2)sc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587611660	HJ	Annotated	Anodyne	
Cc1nc(N2CCCCC2)sc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587611661	HJ	Annotated	Anodyne	
Cn1nc(-c2cccs2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587611869	HJ	Annotated	Anodyne	
Cn1nc(-c2cccs2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587611879	HJ	Annotated	Anodyne	
Cn1nc(-c2cccs2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587611881	HJ	Annotated	Anodyne	
Cn1nc(-c2cccs2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587611882	HJ	Annotated	Anodyne	
CN(C)C(=O)Sc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587612023	HJ	Annotated	Anodyne	
CN(C)C(=O)Sc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587612025	HJ	Annotated	Anodyne	
CN(C)C(=O)Sc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587612026	HJ	Annotated	Anodyne	
CN(C)C(=O)Sc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587612032	HJ	Annotated	Anodyne	
Nc1sccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587612107	HJ	Annotated	Anodyne	
Nc1sccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587612108	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccccn2)n1	ZINC000587612168	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccccn2)n1	ZINC000587612169	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccccn2)n1	ZINC000587612170	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccccn2)n1	ZINC000587612171	HJ	Annotated	Anodyne	
Cc1nc(-c2ccncc2)sc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587612184	HJ	Annotated	Anodyne	
Cc1nc(-c2ccncc2)sc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587612185	HJ	Annotated	Anodyne	
Cc1nc(-c2ccncc2)sc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587612186	HJ	Annotated	Anodyne	
Cc1nc(-c2ccncc2)sc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587612187	HJ	Annotated	Anodyne	
Nc1sccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587612213	HJ	Annotated	Anodyne	
Nc1sccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587612216	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)s1	ZINC000587612247	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)s1	ZINC000587612249	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)s1	ZINC000587612251	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)s1	ZINC000587612252	HJ	Annotated	Anodyne	
Cc1cc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)s1	ZINC000587612259	HJ	Annotated	Anodyne	
Cc1cc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)s1	ZINC000587612261	HJ	Annotated	Anodyne	
Cc1cc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)s1	ZINC000587612263	HJ	Annotated	Anodyne	
Cc1cc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)s1	ZINC000587612265	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccccn2)s1	ZINC000587612760	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccccn2)s1	ZINC000587612761	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccccn2)s1	ZINC000587612762	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccccn2)s1	ZINC000587612763	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1C1CCOCC1	ZINC000587612925	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1C1CCOCC1	ZINC000587612926	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1C1CCOCC1	ZINC000587612928	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1C1CCOCC1	ZINC000587612930	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cs1	ZINC000587612971	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cs1	ZINC000587612972	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cs1	ZINC000587612974	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cs1	ZINC000587612975	HJ	Annotated	Anodyne	
C/C(=C/[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C	ZINC000587613093	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C	ZINC000587613095	HJ	Annotated	Anodyne	
C/C(=C/[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C	ZINC000587613096	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C	ZINC000587613098	HJ	Annotated	Anodyne	
O=C(O)CCC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587613144	HJ	Annotated	Anodyne	
O=C(O)CCC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587613145	HJ	Annotated	Anodyne	
O=C(O)CCC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587613146	HJ	Annotated	Anodyne	
O=C(O)CCC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587613147	HJ	Annotated	Anodyne	
O=C(O)c1cccc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12	ZINC000587613258	HJ	Annotated	Anodyne	
O=C(O)c1cccc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12	ZINC000587613261	HJ	Annotated	Anodyne	
O=C(O)c1cccc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12	ZINC000587613263	HJ	Annotated	Anodyne	
O=C(O)c1cccc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12	ZINC000587613265	HJ	Annotated	Anodyne	
Cc1csc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587613369	HJ	Annotated	Anodyne	
Cc1csc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587613374	HJ	Annotated	Anodyne	
Cc1csc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587613376	HJ	Annotated	Anodyne	
Cc1csc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587613377	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccncc2)s1	ZINC000587613439	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccncc2)s1	ZINC000587613440	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccncc2)s1	ZINC000587613441	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccncc2)s1	ZINC000587613442	HJ	Annotated	Anodyne	
Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2cccs2)n1	ZINC000587613461	HJ	Annotated	Anodyne	
Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2cccs2)n1	ZINC000587613463	HJ	Annotated	Anodyne	
Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2cccs2)n1	ZINC000587613464	HJ	Annotated	Anodyne	
Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2cccs2)n1	ZINC000587613466	HJ	Annotated	Anodyne	
COC(=O)CCC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587613467	HJ	Annotated	Anodyne	
COC(=O)CCC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587613469	HJ	Annotated	Anodyne	
COC(=O)CCC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587613470	HJ	Annotated	Anodyne	
COC(=O)CCC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587613472	HJ	Annotated	Anodyne	
C[C@@]1(CCc2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587613507	HJ	Annotated	Anodyne	
C[C@]1(CCc2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587613509	HJ	Annotated	Anodyne	
C[C@@]1(CCc2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587613511	HJ	Annotated	Anodyne	
C[C@]1(CCc2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587613513	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccsc1Br	ZINC000587613594	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccsc1Br	ZINC000587613595	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccsc1Br	ZINC000587613596	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccsc1Br	ZINC000587613597	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(Br)c1	ZINC000587613622	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(Br)c1	ZINC000587613623	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(Br)c1	ZINC000587613624	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(Br)c1	ZINC000587613625	HJ	Annotated	Anodyne	
CC(C)CSc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587613680	HJ	Annotated	Anodyne	
CC(C)CSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587613681	HJ	Annotated	Anodyne	
CC(C)CSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587613682	HJ	Annotated	Anodyne	
CC(C)CSc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587613683	HJ	Annotated	Anodyne	
Cn1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cn1	ZINC000587613802	HJ	Annotated	Anodyne	
Cn1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cn1	ZINC000587613803	HJ	Annotated	Anodyne	
Cn1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cn1	ZINC000587613804	HJ	Annotated	Anodyne	
Cn1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cn1	ZINC000587613805	HJ	Annotated	Anodyne	
COc1cc(SC)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	ZINC000587613832	HJ	Annotated	Anodyne	
COc1cc(SC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	ZINC000587613839	HJ	Annotated	Anodyne	
COc1cc(SC)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	ZINC000587613840	HJ	Annotated	Anodyne	
COc1cc(SC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	ZINC000587613843	HJ	Annotated	Anodyne	
CCc1ccc2occ([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2c1	ZINC000587614000	HJ	Annotated	Anodyne	
CCc1ccc2occ([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2c1	ZINC000587614001	HJ	Annotated	Anodyne	
CCc1ccc2occ([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2c1	ZINC000587614002	HJ	Annotated	Anodyne	
CCc1ccc2occ([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2c1	ZINC000587614003	HJ	Annotated	Anodyne	
Cc1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1Br	ZINC000587614056	HJ	Annotated	Anodyne	
Cc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1Br	ZINC000587614061	HJ	Annotated	Anodyne	
Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1Br	ZINC000587614064	HJ	Annotated	Anodyne	
Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1Br	ZINC000587614066	HJ	Annotated	Anodyne	
CC1(C)OCc2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2O1	ZINC000587614163	HJ	Annotated	Anodyne	
CC1(C)OCc2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2O1	ZINC000587614168	HJ	Annotated	Anodyne	
CC1(C)OCc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2O1	ZINC000587614172	HJ	Annotated	Anodyne	
CC1(C)OCc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2O1	ZINC000587614175	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@@H](O)c1ccccc1	ZINC000587614302	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H](O)c1ccccc1	ZINC000587614303	HJ	Annotated	Anodyne	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1SC	ZINC000587614326	HJ	Annotated	Anodyne	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1SC	ZINC000587614327	HJ	Annotated	Anodyne	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1SC	ZINC000587614328	HJ	Annotated	Anodyne	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1SC	ZINC000587614329	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccs1	ZINC000587614423	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccs1	ZINC000587614424	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccs1	ZINC000587614425	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccs1	ZINC000587614426	HJ	Annotated	Reactive	
Cc1sc(N)c([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C	ZINC000587614443	HJ	Annotated	Anodyne	
Cc1sc(N)c([C@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C	ZINC000587614447	HJ	Annotated	Anodyne	
Cc1sc(N)c([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C	ZINC000587614449	HJ	Annotated	Anodyne	
Cc1sc(N)c([C@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C	ZINC000587614451	HJ	Annotated	Anodyne	
CCOc1cc2c(c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c1)O[C@@H](C)C2	ZINC000587614548	HJ	Annotated	Anodyne	
CCOc1cc2c(c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c1)O[C@H](C)C2	ZINC000587614549	HJ	Annotated	Anodyne	
CCOc1cc2c(c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c1)O[C@@H](C)C2	ZINC000587614550	HJ	Annotated	Anodyne	
CCOc1cc2c(c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c1)O[C@H](C)C2	ZINC000587614551	HJ	Annotated	Anodyne	
CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1	ZINC000587614556	HJ	Annotated	Anodyne	
CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc2O1	ZINC000587614557	HJ	Annotated	Anodyne	
CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1	ZINC000587614558	HJ	Annotated	Anodyne	
CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc2O1	ZINC000587614559	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccc(O)cc2)n1	ZINC000587614728	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccc(O)cc2)n1	ZINC000587614729	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccc(O)cc2)n1	ZINC000587614730	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccc(O)cc2)n1	ZINC000587614731	HJ	Annotated	Anodyne	
Nc1ccc([C@@]2(c3cccs3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587614732	HJ	Annotated	Anodyne	
Nc1ccc([C@@]2(c3cccs3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587614733	HJ	Annotated	Anodyne	
Nc1ccc([C@]2(c3cccs3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587614734	HJ	Annotated	Anodyne	
Nc1ccc([C@]2(c3cccs3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587614735	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)c1cccs1	ZINC000587614760	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)c1cccs1	ZINC000587614761	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)c1cccs1	ZINC000587614762	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)c1cccs1	ZINC000587614763	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2cccs2)nc1	ZINC000587614788	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2cccs2)nc1	ZINC000587614789	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2cccs2)nc1	ZINC000587614790	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2cccs2)nc1	ZINC000587614791	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(c3ccco3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587614876	HJ	Annotated	Anodyne	
COc1ccc([C@]2(c3ccco3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587614882	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(c3ccco3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1	ZINC000587614883	HJ	Annotated	Anodyne	
COc1ccc([C@]2(c3ccco3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1	ZINC000587614884	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CC(C)(C)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587614968	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CC(C)(C)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587614969	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CC(C)(C)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587614970	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CC(C)(C)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587614971	HJ	Annotated	Anodyne	
CCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)O[C@H](C)C2	ZINC000587615008	HJ	Annotated	Anodyne	
CCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)O[C@H](C)C2	ZINC000587615009	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587615024	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587615025	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587615026	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587615027	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCCCC2)s1	ZINC000587615060	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCCCC2)s1	ZINC000587615061	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCCCC2)s1	ZINC000587615062	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCCCC2)s1	ZINC000587615063	HJ	Annotated	Anodyne	
Cc1cnc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1	ZINC000587615085	HJ	Annotated	Anodyne	
Cc1cnc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1	ZINC000587615086	HJ	Annotated	Anodyne	
Cc1cnc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1	ZINC000587615087	HJ	Annotated	Anodyne	
Cc1cnc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1	ZINC000587615089	HJ	Annotated	Anodyne	
CCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)O[C@@H](C)C2	ZINC000587615210	HJ	Annotated	Anodyne	
CCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)O[C@@H](C)C2	ZINC000587615211	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ncccn2)o1	ZINC000587615493	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ncccn2)o1	ZINC000587615501	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ncccn2)o1	ZINC000587615502	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ncccn2)o1	ZINC000587615503	HJ	Annotated	Anodyne	
CSc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCCO2	ZINC000587615532	HJ	Annotated	Anodyne	
CSc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCCO2	ZINC000587615533	HJ	Annotated	Anodyne	
CSc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCCO2	ZINC000587615534	HJ	Annotated	Anodyne	
CSc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCCO2	ZINC000587615535	HJ	Annotated	Anodyne	
CCCCSc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587615560	HJ	Annotated	Anodyne	
CCCCSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587615561	HJ	Annotated	Anodyne	
CCCCSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587615562	HJ	Annotated	Anodyne	
CCCCSc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587615563	HJ	Annotated	Anodyne	
Cn1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1cccs1	ZINC000587615701	HJ	Annotated	Anodyne	
Cn1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1cccs1	ZINC000587615703	HJ	Annotated	Anodyne	
Cn1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1cccs1	ZINC000587615704	HJ	Annotated	Anodyne	
Cn1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1cccs1	ZINC000587615706	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2C[C@]3(CCO2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1	ZINC000587615765	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2C[C@]3(CCO2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1	ZINC000587615766	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2C[C@@]3(CCO2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1	ZINC000587615767	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2C[C@@]3(CCO2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1	ZINC000587615768	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC[C@@H]2CCCO2)c1	ZINC000587615785	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OC[C@H]2CCCO2)c1	ZINC000587615786	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OC[C@@H]2CCCO2)c1	ZINC000587615787	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC[C@H]2CCCO2)c1	ZINC000587615788	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(CN2CCCC2)cs1	ZINC000587615830	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(CN2CCCC2)cs1	ZINC000587615834	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(CN2CCCC2)cs1	ZINC000587615835	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(CN2CCCC2)cs1	ZINC000587615836	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2cccnc2)s1	ZINC000587616044	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2cccnc2)s1	ZINC000587616046	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2cccnc2)s1	ZINC000587616047	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2cccnc2)s1	ZINC000587616048	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C[C@H]1CCOC1)c1ccccc1	ZINC000587616431	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C[C@@H]1CCOC1)c1ccccc1	ZINC000587616432	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C[C@H]1CCOC1)c1ccccc1	ZINC000587616433	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C[C@@H]1CCOC1)c1ccccc1	ZINC000587616434	HJ	Annotated	Anodyne	
N#CC[C@]1(c2cc3cccnc3s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587616583	HJ	Annotated	Mild	
N#CC[C@@]1(c2cc3cccnc3s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587616584	HJ	Annotated	Mild	
N#CC[C@]1(c2cc3cccnc3s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587616585	HJ	Annotated	Mild	
N#CC[C@@]1(c2cc3cccnc3s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587616586	HJ	Annotated	Mild	
CC1(C)OCc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2O1	ZINC000587616821	HJ	Annotated	Anodyne	
CC1(C)OCc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2O1	ZINC000587616822	HJ	Annotated	Anodyne	
CC1(C)OCc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2O1	ZINC000587616823	HJ	Annotated	Anodyne	
CC1(C)OCc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2O1	ZINC000587616824	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cscc1Br	ZINC000587617275	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cscc1Br	ZINC000587617276	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cscc1Br	ZINC000587617277	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cscc1Br	ZINC000587617278	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc3nc(O)sc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587617516	HJ	Annotated	Anodyne	
C[C@@]1(c2ccc3nc(O)sc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587617519	HJ	Annotated	Anodyne	
C[C@]1(c2ccc3nc(O)sc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587617520	HJ	Annotated	Anodyne	
C[C@]1(c2ccc3nc(O)sc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587617521	HJ	Annotated	Anodyne	
Cc1csc2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n12	ZINC000587617544	HJ	Annotated	Anodyne	
Cc1csc2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n12	ZINC000587617545	HJ	Annotated	Anodyne	
Cc1csc2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n12	ZINC000587617546	HJ	Annotated	Anodyne	
Cc1csc2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n12	ZINC000587617547	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCSCC2)cc1	ZINC000587617568	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCSCC2)cc1	ZINC000587617569	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCSCC2)cc1	ZINC000587617570	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCSCC2)cc1	ZINC000587617571	HJ	Annotated	Anodyne	
CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(O)ccc2O1	ZINC000587617653	HJ	Annotated	Anodyne	
CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(O)ccc2O1	ZINC000587617655	HJ	Annotated	Anodyne	
CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(O)ccc2O1	ZINC000587617656	HJ	Annotated	Anodyne	
CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(O)ccc2O1	ZINC000587617657	HJ	Annotated	Anodyne	
Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1nccs1	ZINC000587617878	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1nccs1	ZINC000587617879	HJ	Annotated	Anodyne	
Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1nccs1	ZINC000587617880	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1nccs1	ZINC000587617881	HJ	Annotated	Anodyne	
O=Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)o1	ZINC000587617929	HJ	Annotated	Anodyne	
O=Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)o1	ZINC000587617930	HJ	Annotated	Anodyne	
O=Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)o1	ZINC000587617931	HJ	Annotated	Anodyne	
O=Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)o1	ZINC000587617932	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ncnc(Cl)c2s1	ZINC000587618159	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ncnc(Cl)c2s1	ZINC000587618162	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ncnc(Cl)c2s1	ZINC000587618163	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ncnc(Cl)c2s1	ZINC000587618164	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1nccs1	ZINC000587618352	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1nccs1	ZINC000587618353	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1nccs1	ZINC000587618354	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1nccs1	ZINC000587618355	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2ccsc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C	ZINC000587618673	HJ	Annotated	Anodyne	
C/C(=C/[C@]1(c2ccsc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C	ZINC000587618674	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2ccsc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C	ZINC000587618677	HJ	Annotated	Anodyne	
C/C(=C/[C@]1(c2ccsc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C	ZINC000587618678	HJ	Annotated	Anodyne	
Nc1sc2c(c1[C@@]1(C3CC3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2	ZINC000587619005	HJ	Annotated	Anodyne	
Nc1sc2c(c1[C@@]1(C3CC3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2	ZINC000587619009	HJ	Annotated	Anodyne	
Nc1sc2c(c1[C@]1(C3CC3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2	ZINC000587619011	HJ	Annotated	Anodyne	
Nc1sc2c(c1[C@]1(C3CC3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2	ZINC000587619013	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCS2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587619081	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCS2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587619082	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCS2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587619085	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCS2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587619086	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC[C@@H]2CCCO2)cc1	ZINC000587619444	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC[C@H]2CCCO2)cc1	ZINC000587619446	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC[C@@H]2CCCO2)cc1	ZINC000587619547	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC[C@H]2CCCO2)cc1	ZINC000587619548	HJ	Annotated	Anodyne	
CC1(C)Cc2occ(C(=O)O)c2[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587619611	HJ	Annotated	Anodyne	
CC1(C)Cc2occ(C(=O)O)c2[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587619624	HJ	Annotated	Anodyne	
CC1(C)Cc2occ(C(=O)O)c2[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587619627	HJ	Annotated	Anodyne	
CC1(C)Cc2occ(C(=O)O)c2[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587619629	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccsc1	ZINC000587619731	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccsc1	ZINC000587619732	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccsc1	ZINC000587619733	HJ	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccsc1	ZINC000587619735	HJ	Annotated	Reactive	
C[C@]1(Cc2nc3ccccc3s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587619970	HJ	Annotated	Anodyne	
C[C@]1(Cc2nc3ccccc3s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587619972	HJ	Annotated	Anodyne	
C[C@@]1(Cc2nc3ccccc3s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587619973	HJ	Annotated	Anodyne	
C[C@@]1(Cc2nc3ccccc3s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587619974	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(C2CC2)nc2sccn12	ZINC000587620070	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(C2CC2)nc2sccn12	ZINC000587620071	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(C2CC2)nc2sccn12	ZINC000587620072	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(C2CC2)nc2sccn12	ZINC000587620073	HJ	Annotated	Anodyne	
Cc1nc2scc(C3CC3)n2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587620112	HJ	Annotated	Anodyne	
Cc1nc2scc(C3CC3)n2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587620113	HJ	Annotated	Anodyne	
Cc1nc2scc(C3CC3)n2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587620114	HJ	Annotated	Anodyne	
Cc1nc2scc(C3CC3)n2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587620115	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc2cnc(Cl)nc12	ZINC000587620124	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc2cnc(Cl)nc12	ZINC000587620125	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc2cnc(Cl)nc12	ZINC000587620126	HJ	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc2cnc(Cl)nc12	ZINC000587620127	HJ	Annotated	Anodyne	
C[C@@]1(c2c(Cl)nc3sccn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587620132	HJ	Annotated	Anodyne	
C[C@@]1(c2c(Cl)nc3sccn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587620133	HJ	Annotated	Anodyne	
C[C@]1(c2c(Cl)nc3sccn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587620134	HJ	Annotated	Anodyne	
C[C@]1(c2c(Cl)nc3sccn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587620135	HJ	Annotated	Anodyne	
C=C1Nn2c(nc(C(C)C)c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)S1	ZINC000587620520	HJ	Annotated	Anodyne	
Oc1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587620521	HJ	Annotated	Anodyne	
C=C1Nn2c(nc(C(C)C)c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)S1	ZINC000587620526	HJ	Annotated	Anodyne	
C=C1Nn2c(nc(C(C)C)c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)S1	ZINC000587620527	HJ	Annotated	Anodyne	
C=C1Nn2c(nc(C(C)C)c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)S1	ZINC000587620528	HJ	Annotated	Anodyne	
Cc1nn(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c(C)c1Br	ZINC000587620716	HJ	Annotated	Anodyne	
N#Cc1c(-c2ccc(Br)o2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587620873	HJ	Annotated	Mild	
N#Cc1c(-c2cncc(Br)c2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587621415	HJ	Annotated	Mild	
O=C(O)CCc1c(-c2ccc(Cl)cn2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587621437	HJ	Annotated	Anodyne	
O=C(CCl)Nc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587621457	HJ	Annotated	Reactive	
Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)o1	ZINC000587621742	HJ	Annotated	Anodyne	
O=C(O)Cc1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587621777	HJ	Annotated	Anodyne	
C[C@@](O)(c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F	ZINC000587621810	HJ	Annotated	Anodyne	
C[C@](O)(c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F	ZINC000587621811	HJ	Annotated	Anodyne	
O=C(c1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F	ZINC000587621833	HJ	Annotated	Anodyne	
O=C(c1c(-c2ccc(O)cc2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F	ZINC000587621836	HJ	Annotated	Anodyne	
Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cc(Cl)ccc1O	ZINC000587621849	HJ	Annotated	Anodyne	
COC(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587621887	HJ	Annotated	Anodyne	
O=C(c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F	ZINC000587621929	HJ	Annotated	Anodyne	
COC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587621934	HJ	Annotated	Anodyne	
ClCc1c(-c2ccc3c(c2)OCCO3)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587621944	HJ	Annotated	Reactive	
Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@@](O)(c1ccccc1)C(F)(F)F	ZINC000587621996	HJ	Annotated	Anodyne	
Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@](O)(c1ccccc1)C(F)(F)F	ZINC000587621997	HJ	Annotated	Anodyne	
O=C(c1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F	ZINC000587622008	HJ	Annotated	Anodyne	
O=C(c1c(-c2ccncc2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F	ZINC000587622017	HJ	Annotated	Anodyne	
O=C(c1ccc(O)cc1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622024	HJ	Annotated	Anodyne	
COC(=O)c1c(-c2ccccc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622043	HJ	Annotated	Anodyne	
Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)NCc1ccc(Cl)cc1	ZINC000587622112	HJ	Annotated	Anodyne	
CCOC(=O)c1c(-c2ccc(Cl)cn2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622144	HJ	Annotated	Anodyne	
COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CN(C)C)cc1F	ZINC000587622145	HJ	Annotated	Anodyne	
CCn1cc(C(=O)c2c(C(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)c(C)n1	ZINC000587622158	HJ	Annotated	Anodyne	
O=CCCc1c(Cc2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622173	HJ	Annotated	Mild	
CCn1ncc(C(=O)c2c(C(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)c1C	ZINC000587622189	HJ	Annotated	Anodyne	
CCOC(=O)c1c(Cc2cccc(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622190	HJ	Annotated	Anodyne	
CCOC(=O)c1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622198	HJ	Annotated	Anodyne	
COc1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)F)c1	ZINC000587622217	HJ	Annotated	Anodyne	
COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)F)cc1	ZINC000587622230	HJ	Annotated	Anodyne	
Fc1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C2OCCO2)c1	ZINC000587622245	HJ	Annotated	Anodyne	
O=C(O)Cc1c(-c2ccc(F)c(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622248	HJ	Annotated	Anodyne	
CCOC(=O)c1c(-c2cccc(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622256	HJ	Annotated	Anodyne	
CC(=O)Oc1c(-c2ccc(F)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622285	HJ	Annotated	Anodyne	
COc1ccccc1C(=O)c1c(C(F)F)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622287	HJ	Annotated	Anodyne	
O=C(O)CCc1c(-c2cc(F)cc(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622289	HJ	Annotated	Anodyne	
O=C(O)Cc1c(-c2ccc(Cl)c(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622305	HJ	Annotated	Anodyne	
CCOC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cccc(F)c1	ZINC000587622325	HJ	Annotated	Anodyne	
O=C(O)CCc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622334	HJ	Annotated	Anodyne	
CCOC(=O)c1c(-c2ccc(F)c(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622378	HJ	Annotated	Anodyne	
Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccc(F)cc1F	ZINC000587622388	HJ	Annotated	Anodyne	
C[C@@H](C(=O)O)c1c(-c2cccc(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622426	HJ	Annotated	Anodyne	
C[C@H](C(=O)O)c1c(-c2cccc(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622427	HJ	Annotated	Anodyne	
CCOC(=O)c1c(-c2ccc(C#N)cc2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622431	HJ	Annotated	Mild	
CC(C)(C)OC(=O)Nc1c(CCCC=O)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622551	HJ	Annotated	Mild	
N#Cc1c(-c2ccc(OC(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622559	HJ	Annotated	Mild	
CCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622603	HJ	Annotated	Anodyne	
CCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622608	HJ	Annotated	Anodyne	
CCOC(=O)c1c(-c2cccc(C#N)c2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622631	HJ	Annotated	Mild	
COc1ccccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)F	ZINC000587622671	HJ	Annotated	Anodyne	
CCOC(=O)c1c(-c2ccccc2F)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622717	HJ	Annotated	Anodyne	
C[C@@H](C(=O)O)c1c(-c2ccccc2F)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622732	HJ	Annotated	Anodyne	
C[C@H](C(=O)O)c1c(-c2ccccc2F)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587622733	HJ	Annotated	Anodyne	
Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccc(F)c(F)c1	ZINC000587622804	HJ	Annotated	Anodyne	
Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1c([N+](=O)[O-])ccc(O)c1F	ZINC000587622827	HJ	Annotated	Bother	
COc1ccc(C(=O)c2c(C(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cc1	ZINC000587622831	HJ	Annotated	Anodyne	
Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)NC1CCCCCCC1	ZINC000587622918	HJ	Annotated	Anodyne	
N#Cc1c(-c2ccccc2OC(F)F)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587623011	HJ	Annotated	Mild	
CCOC(=O)c1c(-c2ccc(F)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587623039	HJ	Annotated	Anodyne	
N#Cc1c(-c2cccc(OC(F)F)c2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587623094	HJ	Annotated	Mild	
CC(=O)Nc1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(C)=O)c1	ZINC000587623115	HJ	Annotated	Anodyne	
Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1c([N+](=O)[O-])ccc(F)c1F	ZINC000587623161	HJ	Annotated	Bother	
O=[N+]([O-])c1cnn(-c2c(-c3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)c1	ZINC000587623172	HJ	Annotated	Bother	
Cc1[nH]c2ccccc2c(=O)c1Cc1c(C)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587623325	HJ	Annotated	Anodyne	
Cc1cc(C)n(-c2c(-c3cccc(N)c3)[nH]c3c2c(Br)cc2n[nH]cc23)n1	ZINC000587623405	HJ	Annotated	Anodyne	
COc1ccc(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c([N+](=O)[O-])c1	ZINC000587623550	HJ	Annotated	Bother	
O=C(c1ccccn1)c1c(-c2ccco2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587623564	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2c(-n3nnn(-c4ccccc4Cl)c3=O)c(C(C)(C)C)[nH]c12	ZINC000587623622	HJ	Annotated	Anodyne	
N#Cc1c(-c2ccc(N3CCCC3)cc2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587623648	HJ	Annotated	Mild	
N#Cc1c(-c2ccc(-n3cccn3)cc2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587623663	HJ	Annotated	Mild	
Cc1cc(Cl)cc2c(CN3C(=O)c4ccccc4C3=O)c(CBr)[nH]c12	ZINC000587623686	HJ	Annotated	Reactive	
Cc1ccccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1CCOCC1	ZINC000587623729	HJ	Annotated	Anodyne	
COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccc(Br)cc1	ZINC000587623754	HJ	Annotated	Anodyne	
COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccncn2)cc1	ZINC000587623817	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2c(N3CCNCC3)c(-c3ccc(Br)cc3)[nH]c12	ZINC000587623961	HJ	Annotated	Anodyne	
O=C(c1ccco1)c1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587624164	HJ	Annotated	Anodyne	
Cc1[nH]c2c(C)cc(Cl)cc2c1-c1nc(=NC(=O)c2ccc(F)cc2)s[nH]1	ZINC000587624589	HJ	Annotated	Anodyne	
Cc1cc(Cl)cc2c(CCCC3OCCO3)c(CNC(=O)OC(C)(C)C)[nH]c12	ZINC000587624651	HJ	Annotated	Anodyne	
CCOC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)C(F)F	ZINC000587625279	HJ	Annotated	Mild	
CCOC(=O)/C(=C/N(C)C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C	ZINC000587625531	HJ	Annotated	Anodyne	
CCOC(=O)/C(=C\N(C)C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C	ZINC000587625533	HJ	Annotated	Anodyne	
CCOC(=O)C(=O)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12	ZINC000587625581	HJ	Annotated	Mild	
Nc1ccccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@H](N)C(=O)O	ZINC000587626147	HJ	Annotated	Anodyne	
Nc1ccccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@@H](N)C(=O)O	ZINC000587626151	HJ	Annotated	Anodyne	
Cc1ccnc(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)n1	ZINC000587626174	HJ	Annotated	Anodyne	
COC(=O)C(=O)c1c(-c2cnn(-c3ccccc3)c2C)[nH]c2c(C)cc(Cl)cc12	ZINC000587626197	HJ	Annotated	Anodyne	
CCOC(=O)C(=O)c1c(C(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12	ZINC000587626475	HJ	Annotated	Mild	
COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cnn(-c2ccccc2)c1C	ZINC000587627142	HJ	Annotated	Anodyne	
Cc1[nH]c2c(C)cc(Cl)cc2c1N1C(=O)c2ccccc2N/C1=C\N1CCOCC1	ZINC000587627409	HJ	Annotated	Anodyne	
Cc1[nH]c2c(C)cc(Cl)cc2c1N1C(=O)c2ccccc2N/C1=C/N1CCOCC1	ZINC000587627410	HJ	Annotated	Anodyne	
COc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CC(=O)O)ccn1	ZINC000587627515	HJ	Annotated	Anodyne	
COC(=O)C(=O)c1c(-c2cc(C)on2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12	ZINC000587627520	HJ	Annotated	Anodyne	
O=C1c2ccccc2C(=O)N1Cc1c(CBr)[nH]c2ccc(F)c(Cl)c12	ZINC000587627528	HJ	Annotated	Reactive	
COC(=O)C(=O)c1c(-c2cccnc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12	ZINC000587627537	HJ	Annotated	Anodyne	
O=C1c2ccccc2C(=O)N1Cc1c(CBr)[nH]c2cc(Cl)c(F)cc12	ZINC000587627571	HJ	Annotated	Reactive	
CC(C)(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1cc(C(=O)O)nn1	ZINC000587627596	HJ	Annotated	Anodyne	
COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cc(C)on1	ZINC000587627943	HJ	Annotated	Anodyne	
CCOC(=O)c1c(-c2nccn2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12	ZINC000587627949	HJ	Annotated	Anodyne	
COC(=O)c1cccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)n1	ZINC000587627997	HJ	Annotated	Mild	
CCOC(=O)c1c(-c2ccn(C)n2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12	ZINC000587628000	HJ	Annotated	Anodyne	
COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc(Br)cc1	ZINC000587628110	HJ	Annotated	Anodyne	
O=C1c2ccccc2C(=O)N1c1c(CBr)[nH]c2cc(Cl)c(F)cc12	ZINC000587628206	HJ	Annotated	Reactive	
CCOC(=O)c1c(-c2cnccn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12	ZINC000587628218	HJ	Annotated	Anodyne	
NC(=O)C1CCN(c2c(-c3ccc(Cl)cc3)[nH]c3cc(Cl)c(F)cc23)CC1	ZINC000587628234	HJ	Annotated	Anodyne	
CCOC(=O)c1c(-c2cncn2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12	ZINC000587628245	HJ	Annotated	Anodyne	
COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccncc1	ZINC000587628281	HJ	Annotated	Anodyne	
CCOC(=O)c1c(-c2cnn(C)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12	ZINC000587628309	HJ	Annotated	Anodyne	
O=C1c2ccccc2C(=O)N1c1c(CBr)[nH]c2ccc(F)c(Cl)c12	ZINC000587628503	HJ	Annotated	Reactive	
COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cccnc1	ZINC000587628588	HJ	Annotated	Anodyne	
CCOC(=O)c1c(CN2CCCC2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12	ZINC000587628593	HJ	Annotated	Anodyne	
COC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12	ZINC000587628642	HJ	Annotated	Anodyne	
Fc1ccc2[nH]c(-c3ccc(Br)cc3)c(N3CCNCC3)c2c1Cl	ZINC000587628682	HJ	Annotated	Anodyne	
Fc1cc2c(N3CCNCC3)c(-c3ccc(Br)cc3)[nH]c2cc1Cl	ZINC000587628700	HJ	Annotated	Anodyne	
CCOC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1CCCC1	ZINC000587628717	HJ	Annotated	Anodyne	
COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccc(Br)cc1	ZINC000587628995	HJ	Annotated	Anodyne	
NC(=O)C1CCN(c2c(-c3ccc(Cl)cc3)[nH]c3ccc(F)c(Cl)c23)CC1	ZINC000587629138	HJ	Annotated	Anodyne	
CC(C)(C)c1[nH]c2cc(Cl)c(F)cc2c1-n1nnn(-c2ccccc2Cl)c1=O	ZINC000587629182	HJ	Annotated	Anodyne	
CC(C)(C)c1[nH]c2ccc(F)c(Cl)c2c1-n1nnn(-c2ccccc2Cl)c1=O	ZINC000587629208	HJ	Annotated	Anodyne	
Cc1[nH]c2cc(Cl)c(F)cc2c1-c1nc(=NC(=O)c2ccc(F)cc2)s[nH]1	ZINC000587630028	HJ	Annotated	Anodyne	
Cc1[nH]c2ccc(F)c(Cl)c2c1-c1nc(=NC(=O)c2ccc(F)cc2)s[nH]1	ZINC000587630525	HJ	Annotated	Anodyne	
CC(=O)CC(=O)N(C(=O)c1c(C)[nH]c2ccc(F)c(Cl)c12)c1ccccc1C	ZINC000587630546	HJ	Annotated	Anodyne	
CC(=O)CC(=O)N(C(=O)c1c(C)[nH]c2cc(Cl)c(F)cc12)c1ccccc1C	ZINC000587630572	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NCc1[nH]c2cc(Cl)c(F)cc2c1CCCC1OCCO1	ZINC000587630692	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)NCc1[nH]c2ccc(F)c(Cl)c2c1CCCC1OCCO1	ZINC000587631207	HJ	Annotated	Anodyne	
CCOC(=O)c1c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2cc(Cl)c(F)cc12	ZINC000587631969	HJ	Annotated	Anodyne	
CCOC(=O)c1c([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2cc(Cl)c(F)cc12	ZINC000587631970	HJ	Annotated	Anodyne	
CCOC(=O)c1c(C)[nH]c(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)OCC)c1C	ZINC000587632093	HJ	Annotated	Anodyne	
COC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cc(Cl)c(F)cc12	ZINC000587632201	HJ	Annotated	Anodyne	
COC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cc(Cl)c(F)cc12	ZINC000587632202	HJ	Annotated	Anodyne	
COC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc(F)c(Cl)c12	ZINC000587632518	HJ	Annotated	Anodyne	
COC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc(F)c(Cl)c12	ZINC000587632519	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3cc(F)ccc13)/C(=C/Cl)N2	ZINC000587632676	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3cc(F)ccc13)/C(=C\Cl)N2	ZINC000587632677	HJ	Annotated	Anodyne	
CCOC(=O)c1c(C)[nH]c(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)OCC)c1C	ZINC000587632803	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3cccc(F)c13)/C(=C\Cl)N2	ZINC000587633120	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3cccc(F)c13)/C(=C/Cl)N2	ZINC000587633123	HJ	Annotated	Anodyne	
CCOC(=O)c1c(-c2cccc(I)c2)[nH]c2cccc(F)c12	ZINC000587634488	HJ	Annotated	Anodyne	
CCOC(=O)c1c(-c2ccccc2I)[nH]c2cccc(F)c12	ZINC000587634975	HJ	Annotated	Anodyne	
O=C1c2ccccc2C(=O)N1c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cccc(F)c12	ZINC000587635664	HJ	Annotated	Bother	
CCOC(=O)c1cn(-c2c(-c3ccccc3)[nH]c3cccc(F)c23)c(C(=O)OCC)n1	ZINC000587636125	HJ	Annotated	Anodyne	
O=C1c2ccccc2C(=O)N1c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cc(F)ccc12	ZINC000587636281	HJ	Annotated	Bother	
CCOC(=O)c1c(-c2cc(F)cc(Br)c2)[nH]c2c(C(=O)O)cccc12	ZINC000587637035	HJ	Annotated	Anodyne	
CCOC(=O)c1c(-c2cc(F)ccc2Br)[nH]c2c(C(=O)O)cccc12	ZINC000587637069	HJ	Annotated	Anodyne	
CCOC(=O)c1c(-c2ccc(Br)cc2F)[nH]c2c(C(=O)O)cccc12	ZINC000587637164	HJ	Annotated	Anodyne	
O=C(O)c1cccnc1Sc1c(-c2ccc(F)cc2)[nH]c2c(C(=O)O)cccc12	ZINC000587637308	HJ	Annotated	Anodyne	
COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)C(F)(F)F)cc1	ZINC000587637354	HJ	Annotated	Anodyne	
COc1ccc(C(=O)c2c(C(F)(F)C(F)(F)F)[nH]c3c(C(=O)O)cccc23)cc1	ZINC000587637431	HJ	Annotated	Anodyne	
O=C(c1ccccc1Br)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12	ZINC000587637510	HJ	Annotated	Anodyne	
CCOC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1c(Cl)ccc(F)c1Cl	ZINC000587637603	HJ	Annotated	Anodyne	
CCOC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1cc(Cl)ccc1Cl	ZINC000587637865	HJ	Annotated	Anodyne	
CCOC(=O)c1c(-c2cc(Br)ccc2F)[nH]c2c(C(=O)O)cccc12	ZINC000587637915	HJ	Annotated	Anodyne	
O=C(c1cccc(Br)c1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12	ZINC000587638021	HJ	Annotated	Anodyne	
CCOC(=O)c1c(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]c2c(C(=O)O)cccc12	ZINC000587638035	HJ	Annotated	Bother	
COC(=O)c1ccc(-n2c(C)cc(-c3[nH]c4c(C(=O)O)cccc4c3C#N)c2C)cc1	ZINC000587638155	HJ	Annotated	Mild	
CCOC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2c(C(=O)O)cccc12	ZINC000587638240	HJ	Annotated	Anodyne	
O=C(c1ccc(F)cc1)c1c(C(F)(F)C(F)(F)F)[nH]c2c(C(=O)O)cccc12	ZINC000587638269	HJ	Annotated	Anodyne	
CCOC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(Cl)cc1Cl	ZINC000587638372	HJ	Annotated	Anodyne	
CCOC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2c(C(=O)O)cccc12	ZINC000587638378	HJ	Annotated	Anodyne	
CN(C)C1CCN(c2c(-c3c[nH]c4ccccc34)[nH]c3c(C(=O)O)cccc23)CC1	ZINC000587638700	HJ	Annotated	Anodyne	
O=C(Nc1ccc2c(c1)OCCO2)c1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12	ZINC000587639050	HJ	Annotated	Anodyne	
O=C(c1ccc(Br)cc1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12	ZINC000587639078	HJ	Annotated	Anodyne	
CCOC(=O)C(C(=O)OCC)c1[nH]c2ccc([C@H](C)CC)cc2c1CC(F)(F)F	ZINC000587642092	HJ	Annotated	Anodyne	
CCOC(=O)C(C(=O)OCC)c1[nH]c2ccc([C@@H](C)CC)cc2c1CC(F)(F)F	ZINC000587642094	HJ	Annotated	Anodyne	
CCOC(=O)Cc1[nH]c2ccc([C@@H](C)CC)cc2c1N1C(=O)c2ccccc2C1=O	ZINC000587642803	HJ	Annotated	Anodyne	
CCOC(=O)Cc1[nH]c2ccc([C@H](C)CC)cc2c1N1C(=O)c2ccccc2C1=O	ZINC000587642807	HJ	Annotated	Anodyne	
O=C(CCl)Nc1c(-c2ccccc2Br)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587643140	HJ	Annotated	Reactive	
CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(CCC(=O)ON3C(=O)CCC3=O)c2c1	ZINC000587643430	HJ	Annotated	Mild	
CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(CCC(=O)ON3C(=O)CCC3=O)c2c1	ZINC000587643434	HJ	Annotated	Mild	
CCOC(=O)c1c(CN2C(=O)c3ccccc3C2=O)[nH]c2ccc([C@@H](C)CC)cc12	ZINC000587643622	HJ	Annotated	Anodyne	
CCOC(=O)c1c(CN2C(=O)c3ccccc3C2=O)[nH]c2ccc([C@H](C)CC)cc12	ZINC000587643623	HJ	Annotated	Anodyne	
CCOC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12	ZINC000587643634	HJ	Annotated	Bother	
O=C(CCl)Nc1c(-c2ccccc2Br)[nH]c2cc([N+](=O)[O-])ccc12	ZINC000587643649	HJ	Annotated	Reactive	
CC[C@H](C)c1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)c(C(=O)C(=O)OC)c2c1	ZINC000587644349	HJ	Annotated	Clean	
CC[C@@H](C)c1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)c(C(=O)C(=O)OC)c2c1	ZINC000587644350	HJ	Annotated	Clean	
COC(=O)C(C)(C)c1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CCCl)cc1	ZINC000587644399	HJ	Annotated	Reactive	
COC(=O)C(C)(C)c1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CCCl)cc1	ZINC000587644442	HJ	Annotated	Reactive	
CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccc(N4CCOCC4)cc3)c2c1	ZINC000587644513	HJ	Annotated	Anodyne	
CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccc(N4CCOCC4)cc3)c2c1	ZINC000587644514	HJ	Annotated	Anodyne	
CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587644580	HJ	Annotated	Bother	
O=C(c1cccc(OC(F)F)c1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12	ZINC000587644934	HJ	Annotated	Bother	
CCOC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587644981	HJ	Annotated	Bother	
CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2cc([N+](=O)[O-])ccc12	ZINC000587645211	HJ	Annotated	Bother	
O=C(c1ccc(OC(F)F)cc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587645260	HJ	Annotated	Bother	
CCOC(=O)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1cc(F)c(Cl)nc1Cl	ZINC000587645437	HJ	Annotated	Bother	
O=C(c1ccc(OC(F)F)cc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12	ZINC000587645452	HJ	Annotated	Bother	
O=C(c1cccc(OC(F)F)c1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587645508	HJ	Annotated	Bother	
O=Cc1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2N2CCC(C(F)(F)F)CC2)c[nH]1	ZINC000587645736	HJ	Annotated	Bother	
CCOC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1cc(F)c(Cl)nc1Cl	ZINC000587645744	HJ	Annotated	Bother	
CCOC(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587645796	HJ	Annotated	Bother	
CCOC(=O)C(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587645952	HJ	Annotated	Bother	
CCOC(=O)c1c(-c2ccc(Br)cc2F)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587646045	HJ	Annotated	Bother	
CCOC(=O)c1c(Cc2cc(F)c(Cl)nc2Cl)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587646171	HJ	Annotated	Bother	
CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(C(F)(F)F)cc1	ZINC000587646249	HJ	Annotated	Bother	
COC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2cc([N+](=O)[O-])ccc12	ZINC000587646360	HJ	Annotated	Bother	
CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cccc(C(F)(F)F)c1	ZINC000587646377	HJ	Annotated	Bother	
O=Cc1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2N2CCC(C(F)(F)F)CC2)c[nH]1	ZINC000587646457	HJ	Annotated	Bother	
CC(C)(C)OC(=O)Nc1c(CCCCC2OCCO2)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587646503	HJ	Annotated	Bother	
COC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587646574	HJ	Annotated	Bother	
COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1c(Cl)ccc(F)c1Cl	ZINC000587646591	HJ	Annotated	Bother	
CC(C)(C)OC(=O)Nc1c(CCCCC2OCCO2)[nH]c2cc([N+](=O)[O-])ccc12	ZINC000587646689	HJ	Annotated	Bother	
COC(=O)c1ccc(-n2c(C)cc(-c3[nH]c4cccc([N+](=O)[O-])c4c3C#N)c2C)cc1	ZINC000587646866	HJ	Annotated	Mild	
O=C(Nc1ccc2c(c1)OCCO2)c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587647466	HJ	Annotated	Bother	
CS(=O)(=O)c1ccc2[nH]c(C(F)(F)Br)c(Cc3ccccc3)c2c1	ZINC000587648484	HJ	Annotated	Anodyne	
CCc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)(F)F)s1	ZINC000587648516	HJ	Annotated	Anodyne	
CCCCc1c(-c2c(O)cc(OC)c(Cl)c2O)[nH]c2ccc(S(C)(=O)=O)cc12	ZINC000587648623	HJ	Annotated	Anodyne	
CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccc4ccccc34)c2c1	ZINC000587648647	HJ	Annotated	Anodyne	
Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1Cc1c[nH]c2ccc(Br)cc12	ZINC000587648655	HJ	Annotated	Anodyne	
CS(=O)(=O)c1ccc2[nH]c(C(F)F)c(C(=O)C34CC5CC(CC(C5)C3)C4)c2c1	ZINC000587648931	HJ	Annotated	Anodyne	
CN(C)C1CCN(c2c(-c3c[nH]c4ccccc34)[nH]c3cc([N+](=O)[O-])ccc23)CC1	ZINC000587649098	HJ	Annotated	Bother	
Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	ZINC000587649192	HJ	Annotated	Anodyne	
CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Br)cc3F)c(CCl)c2c1	ZINC000587649448	HJ	Annotated	Reactive	
Cc1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C#N)c(C)n1-c1ccccc1F	ZINC000587649468	HJ	Annotated	Mild	
CN(C)C1CCN(c2c(-c3c[nH]c4ccccc34)[nH]c3cccc([N+](=O)[O-])c23)CC1	ZINC000587649742	HJ	Annotated	Bother	
CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)s3)c(C(=O)C(F)(F)F)c2c1	ZINC000587650103	HJ	Annotated	Anodyne	
CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(Cl)s3)c2c1	ZINC000587650125	HJ	Annotated	Anodyne	
CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc4ccccc4c3)c2c1	ZINC000587650187	HJ	Annotated	Anodyne	
COc1ccc(Cl)cc1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(F)(F)F	ZINC000587650421	HJ	Annotated	Anodyne	
CS(=O)(=O)c1ccc2[nH]c(-c3cccs3)c(C(=O)C(F)(F)C(F)(F)F)c2c1	ZINC000587650442	HJ	Annotated	Anodyne	
CS(=O)(=O)c1ccc2[nH]c(C(F)(F)C(F)(F)F)c(C(=O)c3cccs3)c2c1	ZINC000587650472	HJ	Annotated	Anodyne	
Cc1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C#N)c(C)n1CCc1ccccc1	ZINC000587650604	HJ	Annotated	Mild	
O=C(c1ccc2cc(Br)ccc2c1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587650693	HJ	Annotated	Anodyne	
Cc1cc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c(C(C)C)cc1Cl	ZINC000587650788	HJ	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000587651073	HJ	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1c(Br)cccc1Br	ZINC000587651120	HJ	Annotated	Anodyne	
O=C(c1ccc(COc2ccc(Cl)cc2)o1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651176	HJ	Annotated	Anodyne	
O=C(c1ccc(Br)c2ccccc12)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651263	HJ	Annotated	Anodyne	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651366	HJ	Annotated	Anodyne	
O=C(c1sccc1OCc1ccc(F)cc1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651495	HJ	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1ncnc2scc(-c3ccc(F)cc3)c12	ZINC000587651601	HJ	Annotated	Anodyne	
CCCc1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)cc1	ZINC000587651606	HJ	Annotated	Anodyne	
O=C(COc1cc(Cl)c(Cl)cc1Cl)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651619	HJ	Annotated	Anodyne	
O=C(c1ccc(C23CC4CC(CC(C4)C2)C3)o1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651675	HJ	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1cc(Br)ccc1Br	ZINC000587651683	HJ	Annotated	Anodyne	
O=C(Nc1ccc(Br)cc1Cl)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651685	HJ	Annotated	Anodyne	
Cc1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)c(C)c1	ZINC000587651827	HJ	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1ncnc2cc(-c3ccc(F)cc3)sc12	ZINC000587651830	HJ	Annotated	Anodyne	
Cc1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)c(C)c1	ZINC000587651858	HJ	Annotated	Anodyne	
Cc1ccc(-c2cc(C(F)(F)F)nc(-n3ncc4ccc(Cl)cc4c3=O)n2)cc1	ZINC000587651941	HJ	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1nc(-c2cccs2)cc(C(F)(F)F)n1	ZINC000587652007	HJ	Annotated	Anodyne	
Cc1cccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)c1C	ZINC000587652038	HJ	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1nc(-c2ccc(F)cc2)cc(C(F)F)n1	ZINC000587652065	HJ	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1ccc(-c2cccc(C(F)(F)F)c2)nn1	ZINC000587652089	HJ	Annotated	Anodyne	
O=C(c1cc2ccc(C(F)(F)F)cc2s1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587652094	HJ	Annotated	Anodyne	
Cc1cccc(C)c1OCc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1	ZINC000587652142	HJ	Annotated	Anodyne	
Cc1ccc(-c2cc(C(F)(F)F)nc(-n3ncc4ccc(Cl)cc4c3=O)n2)s1	ZINC000587652152	HJ	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1	ZINC000587652156	HJ	Annotated	Anodyne	
Cc1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)cc1C	ZINC000587652159	HJ	Annotated	Anodyne	
CCc1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)cc1	ZINC000587652162	HJ	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1nc(-c2ccccc2)cc(C(F)(F)F)n1	ZINC000587652212	HJ	Annotated	Anodyne	
O=C(c1ccc(COc2ccccc2Cl)o1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587652253	HJ	Annotated	Anodyne	
O=C(c1ccc(COc2cccc(Cl)c2)o1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587652270	HJ	Annotated	Anodyne	
Cc1ccc(C)c(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)c1	ZINC000587652561	HJ	Annotated	Anodyne	
CC(C)(C)[C@H]1CCc2sc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2C1	ZINC000587652982	HJ	Annotated	Anodyne	
CC(C)(C)[C@@H]1CCc2sc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2C1	ZINC000587652985	HJ	Annotated	Anodyne	
O=C(O)c1ccc(Cl)c(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1	ZINC000587653045	HJ	Annotated	Anodyne	
Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)n1ncc2ccc(Cl)cc2c1=O	ZINC000587653162	HJ	Annotated	Anodyne	
O=C(OCC1c2ccccc2-c2ccccc21)n1ncc2ccc(Cl)cc2c1=O	ZINC000587653214	HJ	Annotated	Anodyne	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)n1ncc2ccc(Cl)cc2c1=O	ZINC000587653416	HJ	Annotated	Anodyne	
O=C(c1cc2cc(Br)ccc2s1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587653806	HJ	Annotated	Anodyne	
O=C(Cc1ccccc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587654213	HJ	Annotated	Anodyne	
C[C@@H](NC(=S)n1ncc2ccc(Cl)cc2c1=O)c1ccc(Cl)cc1Cl	ZINC000587654257	HJ	Annotated	Anodyne	
C[C@H](NC(=S)n1ncc2ccc(Cl)cc2c1=O)c1ccc(Cl)cc1Cl	ZINC000587654258	HJ	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000587654272	HJ	Annotated	Bother	
O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)n1ncc2ccc(Cl)cc2c1=O	ZINC000587654286	HJ	Annotated	Bother	
O=c1c2cc(Cl)ccc2cnn1C(=S)NC(c1ccccc1)c1ccccc1	ZINC000587654497	HJ	Annotated	Anodyne	
O=C(c1sc2ccccc2c1-n1cccc1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587654635	HJ	Annotated	Anodyne	
Cc1ccc(COc2ccsc2C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1	ZINC000587654666	HJ	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(C(F)(F)F)cn1	ZINC000587655271	HJ	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(C(F)(F)F)nc1	ZINC000587655282	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccccc1F)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655322	HJ	Annotated	Anodyne	
C[C@H](Oc1ccccc1F)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655323	HJ	Annotated	Anodyne	
COc1c(F)cc(F)cc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655395	HJ	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2ccc(Cl)cc2[nH]1	ZINC000587655429	HJ	Annotated	Anodyne	
O=C(Nc1cc(F)cc(F)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655450	HJ	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nnc(Cl)c2ccccc12	ZINC000587655458	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccc(F)cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655502	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc(F)cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655503	HJ	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1ccccc1F	ZINC000587655510	HJ	Annotated	Anodyne	
CC(C)(C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)c1ccccc1	ZINC000587655513	HJ	Annotated	Anodyne	
CC(C)c1c(Cl)ncnc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655553	HJ	Annotated	Anodyne	
O=C(c1cncc2ccccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655575	HJ	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1cccc(F)c1	ZINC000587655594	HJ	Annotated	Anodyne	
Cc1ccc(NCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1	ZINC000587655604	HJ	Annotated	Anodyne	
O=C(c1ccc2ccccc2n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655615	HJ	Annotated	Anodyne	
CCCOc1ccccc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655645	HJ	Annotated	Anodyne	
Cc1ccc(C)c(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1	ZINC000587655674	HJ	Annotated	Anodyne	
Cc1ccccc1O[C@@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655688	HJ	Annotated	Anodyne	
Cc1ccccc1O[C@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655689	HJ	Annotated	Anodyne	
O=C(Nc1c(F)cccc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655716	HJ	Annotated	Anodyne	
O=C(c1cc2cc(F)ccc2[nH]1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655753	HJ	Annotated	Anodyne	
O=C(c1ccc(F)cc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655807	HJ	Annotated	Anodyne	
Cc1cccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1	ZINC000587655809	HJ	Annotated	Anodyne	
Cc1cccc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1	ZINC000587655810	HJ	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(-c2ccccc2)nn1	ZINC000587655855	HJ	Annotated	Anodyne	
O=C(c1ccnc2ccccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655935	HJ	Annotated	Anodyne	
Cc1ccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1	ZINC000587655941	HJ	Annotated	Anodyne	
O=C(c1cccc2ncccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655948	HJ	Annotated	Anodyne	
[N-]=[N+]=Nc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1	ZINC000587655951	HJ	Annotated	Mild	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cccc(C(F)(F)F)n1	ZINC000587656008	HJ	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(C(F)(F)F)ccn1	ZINC000587656033	HJ	Annotated	Anodyne	
O=C(c1c(F)cccc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587656047	HJ	Annotated	Anodyne	
Cc1sc2ncnc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c2c1C	ZINC000587656068	HJ	Annotated	Anodyne	
Cc1ccc(-c2ccnc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)o1	ZINC000587656196	HJ	Annotated	Anodyne	
Cc1nn([C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1Cl	ZINC000587656203	HJ	Annotated	Anodyne	
Cc1nn([C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1Cl	ZINC000587656206	HJ	Annotated	Anodyne	
Cc1c(Cl)cccc1NCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587656229	HJ	Annotated	Anodyne	
Cc1cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ncc1Br	ZINC000587656272	HJ	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc2cccc(O)c2n1	ZINC000587656295	HJ	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nnc(-c2ccccc2)s1	ZINC000587656296	HJ	Annotated	Anodyne	
O=C(c1ccc(Cl)cc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587656373	HJ	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1c(F)c(F)cc(F)c1F	ZINC000587656383	HJ	Annotated	Anodyne	
O=C(Cc1ccc(F)cc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587656394	HJ	Annotated	Anodyne	
O=C(c1cccc2cccnc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587656462	HJ	Annotated	Anodyne	
Cc1csc2c(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)ncnc12	ZINC000587656542	HJ	Annotated	Anodyne	
Cc1nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1Br	ZINC000587656569	HJ	Annotated	Anodyne	
O=C(c1ccc2c(c1)CCC2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587656573	HJ	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(Cl)cc2)no1	ZINC000587656584	HJ	Annotated	Anodyne	
COc1cccc2sc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc12	ZINC000587656641	HJ	Annotated	Anodyne	
Cc1ccc(Cl)c(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1	ZINC000587656652	HJ	Annotated	Anodyne	
O=C(c1cc2c(s1)CCCC2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587656659	HJ	Annotated	Anodyne	
O=C(c1ccccc1Br)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587656664	HJ	Annotated	Anodyne	
C[C@H](Oc1cccc(Cl)c1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587656708	HJ	Annotated	Anodyne	
C[C@@H](Oc1cccc(Cl)c1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587656709	HJ	Annotated	Anodyne	
O=C(COc1ccccc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587656712	HJ	Annotated	Anodyne	
C=CCOc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1	ZINC000587656815	HJ	Annotated	Mild	
CCc1ccccc1OCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587656822	HJ	Annotated	Anodyne	
O=C([C@H]1C[C@@H]1c1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587656832	HJ	Annotated	Anodyne	
O=C([C@@H]1C[C@H]1c1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587656833	HJ	Annotated	Anodyne	
O=C([C@@H]1C[C@@H]1c1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587656834	HJ	Annotated	Anodyne	
O=C([C@H]1C[C@H]1c1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587656835	HJ	Annotated	Anodyne	
O=C(c1cc2sccc2cn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587656899	HJ	Annotated	Anodyne	
O=C(CNc1ccccc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587656926	HJ	Annotated	Anodyne	
O=C(c1ccc(Br)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587656927	HJ	Annotated	Anodyne	
CCc1cc2c(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)ncnc2s1	ZINC000587656955	HJ	Annotated	Anodyne	
O=C(c1cc2c(s1)CCC2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587656988	HJ	Annotated	Anodyne	
Cc1cccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1C	ZINC000587657106	HJ	Annotated	Anodyne	
Cc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1	ZINC000587657133	HJ	Annotated	Anodyne	
Cc1ccc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1	ZINC000587657134	HJ	Annotated	Anodyne	
O=C(c1cc2ccccc2o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587657159	HJ	Annotated	Anodyne	
O=C(c1nc2ccccc2s1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587657191	HJ	Annotated	Anodyne	
COc1ccc2sc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc2c1	ZINC000587657248	HJ	Annotated	Anodyne	
O=C(c1csc2c1CCCC2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587657252	HJ	Annotated	Anodyne	
COc1ccc(Cl)cc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587657260	HJ	Annotated	Anodyne	
Cc1cnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(Br)c1	ZINC000587657263	HJ	Annotated	Anodyne	
C[C@H](Oc1ccccc1Cl)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587657271	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccccc1Cl)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587657273	HJ	Annotated	Anodyne	
O=C(Cn1ccc2ccccc21)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587657557	HJ	Annotated	Anodyne	
Cc1csc2ncnc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c12	ZINC000587657584	HJ	Annotated	Anodyne	
CCc1sc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1C	ZINC000587657618	HJ	Annotated	Anodyne	
Cc1cc(Br)cnc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587657622	HJ	Annotated	Anodyne	
CCc1c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)csc1C	ZINC000587657647	HJ	Annotated	Anodyne	
O=C(c1c[nH]c2ccccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587657712	HJ	Annotated	Anodyne	
Cc1cccc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1C	ZINC000587657839	HJ	Annotated	Anodyne	
Cc1cccc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1C	ZINC000587657840	HJ	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1c(F)c(F)c(F)c(F)c1F	ZINC000587657946	HJ	Annotated	Anodyne	
C[C@@H]1CCCC[C@H]1NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587657968	HJ	Annotated	Anodyne	
C[C@H]1CCCC[C@@H]1NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587657971	HJ	Annotated	Anodyne	
C[C@H]1CCCC[C@H]1NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587657973	HJ	Annotated	Anodyne	
C[C@@H]1CCCC[C@@H]1NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587657974	HJ	Annotated	Anodyne	
COc1cccc(NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1	ZINC000587658027	HJ	Annotated	Anodyne	
O=C(c1cccc2cc[nH]c12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587658039	HJ	Annotated	Anodyne	
Cc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1	ZINC000587658091	HJ	Annotated	Anodyne	
Cc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1	ZINC000587658092	HJ	Annotated	Anodyne	
O=C(c1cc2cc(F)ccc2[nH]1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587658097	HJ	Annotated	Anodyne	
Cc1ccc(F)c(NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1	ZINC000587658112	HJ	Annotated	Anodyne	
Cc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1	ZINC000587658117	HJ	Annotated	Anodyne	
Cc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1	ZINC000587658118	HJ	Annotated	Anodyne	
O=C(n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)C(F)(F)Oc1ccccc1	ZINC000587658136	HJ	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(-c2ccccc2F)nn1	ZINC000587658142	HJ	Annotated	Anodyne	
O=C(c1cccc(C(F)(F)F)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587658156	HJ	Annotated	Anodyne	
O=C(c1ccccc1C(F)(F)F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587658172	HJ	Annotated	Anodyne	
O=C(c1ccc(Cl)s1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587658210	HJ	Annotated	Anodyne	
Cc1ccccc1NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587658243	HJ	Annotated	Anodyne	
O=C(c1cc2ccccc2[nH]1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587658244	HJ	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nccc(-c2cccs2)n1	ZINC000587658276	HJ	Annotated	Anodyne	
Cc1cccc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1	ZINC000587658279	HJ	Annotated	Anodyne	
Cc1cccc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1	ZINC000587658280	HJ	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)Nc1ccc(F)cc1F	ZINC000587658292	HJ	Annotated	Anodyne	
O=C(c1sccc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587658386	HJ	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(-c2cccs2)nn1	ZINC000587658400	HJ	Annotated	Anodyne	
O=C(CSCc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587658409	HJ	Annotated	Anodyne	
CCc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1	ZINC000587658511	HJ	Annotated	Anodyne	
CCc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1	ZINC000587658513	HJ	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(C(F)F)cc(C2CC2)n1	ZINC000587658515	HJ	Annotated	Anodyne	
Cc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1C	ZINC000587658521	HJ	Annotated	Anodyne	
Cc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1C	ZINC000587658523	HJ	Annotated	Anodyne	
Cc1ccccc1O[C@@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587658549	HJ	Annotated	Anodyne	
Cc1ccccc1O[C@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587658550	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccc(F)cc1F)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587658668	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc(F)cc1F)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587658669	HJ	Annotated	Anodyne	
O=C(c1ccc(C(F)(F)F)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587658861	HJ	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nnc(Cl)c2ccccc12	ZINC000587658881	HJ	Annotated	Anodyne	
CSc1ccccc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587658984	HJ	Annotated	Anodyne	
O=C(Cc1c(F)cccc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587659011	HJ	Annotated	Anodyne	
O=C(c1cc(F)c(F)cc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587659116	HJ	Annotated	Anodyne	
O=C(c1cccc2[nH]ccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587659148	HJ	Annotated	Anodyne	
O=C(CSc1ccccc1F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587659166	HJ	Annotated	Anodyne	
O=C(c1cc(Cl)cs1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587659208	HJ	Annotated	Anodyne	
CC(C)Oc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1	ZINC000587659718	HJ	Annotated	Anodyne	
O=C([C@H]1CCO[C@@H]1c1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587659720	HJ	Annotated	Anodyne	
CC(C)COc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1	ZINC000587659741	HJ	Annotated	Anodyne	
O=C(c1ccc2ccccc2c1O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587659757	HJ	Annotated	Anodyne	
Cc1cc(C)c(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1	ZINC000587659783	HJ	Annotated	Anodyne	
Cc1ccc(NCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1	ZINC000587659811	HJ	Annotated	Anodyne	
Cc1ccc(C)c(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1	ZINC000587659846	HJ	Annotated	Anodyne	
O=C(c1cc2ccccc2cc1O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587659852	HJ	Annotated	Anodyne	
O=C(c1ccc(-c2cnco2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587659855	HJ	Annotated	Anodyne	
Cc1cc(C)cc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1	ZINC000587659946	HJ	Annotated	Anodyne	
CCCCN(CCCC)c1ccc(-c2nn(C(=N)O)c(=O)c3ccccc23)c(O)c1	ZINC000587659965	HJ	Annotated	Anodyne	
CCCOc1ccccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587659977	HJ	Annotated	Anodyne	
Cc1ccc(-c2ccc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nn2)cc1	ZINC000587660063	HJ	Annotated	Anodyne	
Cc1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1C	ZINC000587660072	HJ	Annotated	Anodyne	
O=C(c1ccc(-n2cccc2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587660129	HJ	Annotated	Anodyne	
CCc1ccc(-c2cnnc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1	ZINC000587660176	HJ	Annotated	Anodyne	
CCCCN(CCCC)c1ccc(-c2nn(C(C)=O)c(=O)c3ccccc23)c(O)c1	ZINC000587660233	HJ	Annotated	Anodyne	
Cc1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1	ZINC000587660241	HJ	Annotated	Anodyne	
O=C(c1nc2ccccc2s1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587660295	HJ	Annotated	Anodyne	
Cc1ccc(-c2cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n[nH]2)cc1	ZINC000587660303	HJ	Annotated	Anodyne	
O=C(c1cc2c(s1)CCCC2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587660312	HJ	Annotated	Anodyne	
CN(C)c1ccc(NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1	ZINC000587660378	HJ	Annotated	Anodyne	
COc1ccc(C)cc1NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587660422	HJ	Annotated	Anodyne	
O=C(c1csc2c1CCCC2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587660429	HJ	Annotated	Anodyne	
CCc1cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc(-c2ccccn2)n1	ZINC000587660516	HJ	Annotated	Anodyne	
Cc1cccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1C	ZINC000587660704	HJ	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nccc(-c2cccs2)n1	ZINC000587660797	HJ	Annotated	Anodyne	
COc1ccccc1SCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587660850	HJ	Annotated	Anodyne	
CCCCN(CCCC)c1ccc(-c2nn(C(=O)OC)c(=O)c3ccccc23)c(O)c1	ZINC000587660989	HJ	Annotated	Anodyne	
COc1cccc(-c2ccnc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)c1	ZINC000587661044	HJ	Annotated	Anodyne	
COc1ccc(-c2ccnc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1	ZINC000587661061	HJ	Annotated	Anodyne	
Cc1nc(-c2cccnc2)nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1C	ZINC000587661099	HJ	Annotated	Anodyne	
Cc1cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc(-c2ccccc2O)n1	ZINC000587661111	HJ	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nnc(-c2ccccc2)s1	ZINC000587661207	HJ	Annotated	Anodyne	
O=C(c1cc2sccc2cn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587661219	HJ	Annotated	Anodyne	
Cc1cc(C)c(NCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1	ZINC000587661313	HJ	Annotated	Anodyne	
Cc1cccc(C)c1OCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587661377	HJ	Annotated	Anodyne	
Cc1ccc(-c2cnnc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1C	ZINC000587661432	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccc2)cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1	ZINC000587661446	HJ	Annotated	Anodyne	
Cc1ccc(-c2cnnc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)c(C)c1	ZINC000587661471	HJ	Annotated	Anodyne	
O=C(NC12CC3CC(CC(C3)C1)C2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587661555	HJ	Annotated	Anodyne	
C[C@H]1[C@H](C)CCC[C@H]1NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587661639	HJ	Annotated	Anodyne	
C[C@@H]1[C@@H](NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CCC[C@H]1C	ZINC000587661640	HJ	Annotated	Anodyne	
C[C@@H]1CCC[C@@H](NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)[C@@H]1C	ZINC000587661641	HJ	Annotated	Anodyne	
C[C@@H]1CCC[C@H](NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)[C@@H]1C	ZINC000587661642	HJ	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(-c2cccs2)nn1	ZINC000587661768	HJ	Annotated	Anodyne	
CCCCN(CCCC)c1ccc(-c2nn(C[C@@H](C)O)c(=O)c3ccccc23)c(O)c1	ZINC000587661776	HJ	Annotated	Anodyne	
CCCCN(CCCC)c1ccc(-c2nn(C[C@H](C)O)c(=O)c3ccccc23)c(O)c1	ZINC000587661778	HJ	Annotated	Anodyne	
COc1cccc2sc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc12	ZINC000587661857	HJ	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncc2c(n1)-c1ccccc1CC2	ZINC000587661945	HJ	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nnc(-c2ccccc2)n1C1CC1	ZINC000587661957	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc1	ZINC000587661972	HJ	Annotated	Anodyne	
Cc1ccc(C)c(-c2cnnc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)c1	ZINC000587662007	HJ	Annotated	Anodyne	
Cc1ccc(SCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1	ZINC000587662069	HJ	Annotated	Anodyne	
O=C(CSCc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587662202	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccn2)nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1C	ZINC000587662287	HJ	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncnc2c1oc1ccccc12	ZINC000587662291	HJ	Annotated	Anodyne	
O=C(c1ccccc1-n1cccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587662334	HJ	Annotated	Anodyne	
O=C(c1cc(-c2cccs2)on1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587662345	HJ	Annotated	Anodyne	
CCc1cc2c(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)ncnc2s1	ZINC000587662621	HJ	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2cc3c(cc2s1)OCO3	ZINC000587663221	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(Cc3ccccc3C)c(=O)c3ccccc23)c(O)c1	ZINC000587664832	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(-c3ccccc3OC)c(=O)c3ccccc23)c(O)c1	ZINC000587665135	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(C(=O)C3CCCCC3)c(=O)c3ccccc23)c(O)c1	ZINC000587665140	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(-c3ccnc(Cl)c3)c(=O)c3ccccc23)c(O)c1	ZINC000587665235	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(-c3ccncc3Cl)c(=O)c3ccccc23)c(O)c1	ZINC000587665410	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(-c3cccnc3Cl)c(=O)c3ccccc23)c(O)c1	ZINC000587665708	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(-c3cccc(Cl)n3)c(=O)c3ccccc23)c(O)c1	ZINC000587666178	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(-c3ccc(Cl)nc3)c(=O)c3ccccc23)c(O)c1	ZINC000587666257	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(-c3cc(Cl)ccn3)c(=O)c3ccccc23)c(O)c1	ZINC000587666345	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(-c3ccc(F)cc3F)c(=O)c3ccccc23)c(O)c1	ZINC000587666459	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(-c3ncccc3Cl)c(=O)c3ccccc23)c(O)c1	ZINC000587666610	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(-c3ccc(Cl)cn3)c(=O)c3ccccc23)c(O)c1	ZINC000587666631	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(Cc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1	ZINC000587666861	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(Cc3cccc(F)c3)c(=O)c3ccccc23)c(O)c1	ZINC000587666964	HJ	Annotated	Anodyne	
CCCCN(CCCC)c1ccc(-c2nn(C(=N)S)c(=O)c3ccccc23)c(O)c1	ZINC000587667277	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(-c3cc(F)cc(F)c3)c(=O)c3ccccc23)c(O)c1	ZINC000587667350	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(-c3cccc(F)c3F)c(=O)c3ccccc23)c(O)c1	ZINC000587667539	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(C(=O)CC3CCCC3)c(=O)c3ccccc23)c(O)c1	ZINC000587667571	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(-c3cccc(F)c3)c(=O)c3ccccc23)c(O)c1	ZINC000587667614	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(C(=O)CCC(C)C)c(=O)c3ccccc23)c(O)c1	ZINC000587667616	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(C(=O)CC(C)(C)C)c(=O)c3ccccc23)c(O)c1	ZINC000587667631	HJ	Annotated	Anodyne	
CCCCCC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O	ZINC000587667814	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(-c3ccccc3F)c(=O)c3ccccc23)c(O)c1	ZINC000587667992	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1	ZINC000587668013	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(-c3cc(F)ccc3F)c(=O)c3ccccc23)c(O)c1	ZINC000587668046	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(-c3cccnc3Cl)c(=O)c3ccccc23)cc1OCC	ZINC000587668184	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(-c3ccc(Cl)nc3)c(=O)c3ccccc23)cc1OCC	ZINC000587668231	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(-c3cc(Cl)ccn3)c(=O)c3ccccc23)cc1OCC	ZINC000587668342	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(-c3ccc(C)nc3)c(=O)c3ccccc23)cc1OCC	ZINC000587668353	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(-c3cccc(Cl)n3)c(=O)c3ccccc23)cc1OCC	ZINC000587668432	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(-c3ccccc3F)c(=O)c3ccccc23)cc1OCC	ZINC000587668724	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)cc1OCC	ZINC000587668746	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(C(=O)CCC(C)C)c(=O)c3ccccc23)cc1OCC	ZINC000587668755	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(Cc3cccc(O)c3)c(=O)c3ccccc23)cc1OCC	ZINC000587668826	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(-c3cc(C)ccn3)c(=O)c3ccccc23)cc1OCC	ZINC000587668885	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(-c3ccncc3Cl)c(=O)c3ccccc23)cc1OCC	ZINC000587668932	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(Cc3ccsc3)c(=O)c3ccccc23)c(O)c1	ZINC000587669288	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(-c3ccccc3OC)c(=O)c3ccccc23)cc1OCC	ZINC000587669393	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(-c3ccc(C)cn3)c(=O)c3ccccc23)cc1OCC	ZINC000587669477	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(-c3ncccc3Cl)c(=O)c3ccccc23)cc1OCC	ZINC000587669556	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(-c3ccc(Cl)cn3)c(=O)c3ccccc23)cc1OCC	ZINC000587669641	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(-c3ccnc(Cl)c3)c(=O)c3ccccc23)cc1OCC	ZINC000587669684	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(C(=O)OC(C)(C)C)c(=O)c3ccccc23)cc1OCC	ZINC000587670027	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(Cc3ccsc3)c(=O)c3ccccc23)cc1OCC	ZINC000587670183	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(-c3ncccc3C)c(=O)c3ccccc23)cc1OCC	ZINC000587670496	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nn(Cc3cccs3)c(=O)c3ccccc23)c(O)c1	ZINC000587670581	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(Cc3cccs3)c(=O)c3ccccc23)cc1OCC	ZINC000587671004	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(C(=O)CC(C)(C)C)c(=O)c3ccccc23)cc1OCC	ZINC000587671397	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(C(=O)c3cccs3)c(=O)c3ccccc23)cc1OCC	ZINC000587671577	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nn(-c3cc(F)cc(F)n3)c(=O)c3ccccc23)cc1OCC	ZINC000587671637	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)o1	ZINC000587671664	HJ	Annotated	Reactive	
Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1	ZINC000587671667	HJ	Annotated	Reactive	
Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)o1	ZINC000587671668	HJ	Annotated	Reactive	
Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1	ZINC000587671669	HJ	Annotated	Reactive	
CCOc1ccc(-c2nn(-c3cccc(F)c3)c(=O)c3ccccc23)cc1OCC	ZINC000587671793	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2CCBr)N1	ZINC000587672809	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2CCBr)N1	ZINC000587672810	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2CCBr)N1	ZINC000587672811	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2CCBr)N1	ZINC000587672812	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2CCCC2)N1	ZINC000587673181	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2CCCC2)N1	ZINC000587673182	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2CCCC2)N1	ZINC000587673183	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2CCCC2)N1	ZINC000587673184	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(CBr)CC2)N1	ZINC000587673805	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(CBr)CC2)N1	ZINC000587673806	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2)N1	ZINC000587673889	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2)N1	ZINC000587673890	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2)N1	ZINC000587673891	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2)N1	ZINC000587673892	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2CCCC2)N1	ZINC000587673941	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C2CCCC2)N1	ZINC000587673942	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2CCCC2)N1	ZINC000587673943	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C2CCCC2)N1	ZINC000587673944	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(CBr)CC2)N1	ZINC000587674107	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(CBr)CC2)N1	ZINC000587674108	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2CCBr)N1	ZINC000587674175	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2CCBr)N1	ZINC000587674176	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2CCBr)N1	ZINC000587674177	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2CCBr)N1	ZINC000587674178	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2)N1	ZINC000587674211	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2)N1	ZINC000587674212	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2)N1	ZINC000587674213	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2)N1	ZINC000587674214	HJ	Annotated	Reactive	
Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)o1	ZINC000587674311	HJ	Annotated	Reactive	
Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1	ZINC000587674312	HJ	Annotated	Reactive	
Cc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)o1	ZINC000587674313	HJ	Annotated	Reactive	
Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1	ZINC000587674314	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(O)c2)N1	ZINC000587675259	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(O)c2)N1	ZINC000587675260	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(O)c2)N1	ZINC000587675261	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(O)c2)N1	ZINC000587675262	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(Br)c2)N1	ZINC000587675291	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(Br)c2)N1	ZINC000587675292	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(Br)c2)N1	ZINC000587675293	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(Br)c2)N1	ZINC000587675294	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cccc2Br)N1	ZINC000587675451	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cccc2Br)N1	ZINC000587675452	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cccc2Br)N1	ZINC000587675453	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cccc2Br)N1	ZINC000587675454	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(Br)c2)N1	ZINC000587675954	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(Br)c2)N1	ZINC000587675955	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(Br)c2)N1	ZINC000587675956	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(Br)c2)N1	ZINC000587675957	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccn2)N1	ZINC000587676010	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccn2)N1	ZINC000587676012	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccn2)N1	ZINC000587676014	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccn2)N1	ZINC000587676015	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#N)ccc2Br)N1	ZINC000587676042	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#N)ccc2Br)N1	ZINC000587676046	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#N)ccc2Br)N1	ZINC000587676047	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#N)ccc2Br)N1	ZINC000587676048	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(Br)c2)N1	ZINC000587676250	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(Br)c2)N1	ZINC000587676251	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(Br)c2)N1	ZINC000587676252	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(Br)c2)N1	ZINC000587676253	HJ	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br	ZINC000587676254	HJ	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br	ZINC000587676255	HJ	Annotated	Anodyne	
Cc1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br	ZINC000587676256	HJ	Annotated	Anodyne	
Cc1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br	ZINC000587676257	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O)c2Br)N1	ZINC000587676306	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O)c2Br)N1	ZINC000587676307	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O)c2Br)N1	ZINC000587676308	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O)c2Br)N1	ZINC000587676309	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)cccc2Br)N1	ZINC000587676314	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)cccc2Br)N1	ZINC000587676315	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)cccc2Br)N1	ZINC000587676316	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)cccc2Br)N1	ZINC000587676317	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2N)N1	ZINC000587676778	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2N)N1	ZINC000587676779	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2N)N1	ZINC000587676780	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2N)N1	ZINC000587676782	HJ	Annotated	Anodyne	
Cc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br	ZINC000587676811	HJ	Annotated	Anodyne	
Cc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br	ZINC000587676812	HJ	Annotated	Anodyne	
Cc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br	ZINC000587676813	HJ	Annotated	Anodyne	
Cc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br	ZINC000587676814	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(Br)c2)N1	ZINC000587676891	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(Br)c2)N1	ZINC000587676892	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(Br)c2)N1	ZINC000587676894	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(Br)c2)N1	ZINC000587676896	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2Br)N1	ZINC000587676948	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2Br)N1	ZINC000587676949	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2Br)N1	ZINC000587676950	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2Br)N1	ZINC000587676952	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Br)c2N)N1	ZINC000587676999	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Br)c2N)N1	ZINC000587677000	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Br)c2N)N1	ZINC000587677001	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Br)c2N)N1	ZINC000587677002	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)Cl)(c2c[nH]c3ccccc23)N1	ZINC000587677533	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)Cl)(c2c[nH]c3ccccc23)N1	ZINC000587677539	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)Cl)(c2c[nH]c3ccccc23)N1	ZINC000587677541	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)Cl)(c2c[nH]c3ccccc23)N1	ZINC000587677544	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C#N)(c2ccc(Br)cc2)N1	ZINC000587677715	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C#N)(c2ccc(Br)cc2)N1	ZINC000587677718	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C#N)(c2ccc(Br)cc2)N1	ZINC000587677720	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C#N)(c2ccc(Br)cc2)N1	ZINC000587677724	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Br)c2O)N1	ZINC000587677810	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Br)c2O)N1	ZINC000587677812	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Br)c2O)N1	ZINC000587677815	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Br)c2O)N1	ZINC000587677817	HJ	Annotated	Clean	
Cc1oc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br	ZINC000587677870	HJ	Annotated	Anodyne	
Cc1oc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br	ZINC000587677880	HJ	Annotated	Anodyne	
Cc1oc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br	ZINC000587677882	HJ	Annotated	Anodyne	
Cc1oc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br	ZINC000587677885	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2C#N)N1	ZINC000587678067	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2C#N)N1	ZINC000587678070	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2C#N)N1	ZINC000587678072	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2C#N)N1	ZINC000587678075	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)cc2Br)N1	ZINC000587678218	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)cc2Br)N1	ZINC000587678219	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)cc2Br)N1	ZINC000587678220	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)cc2Br)N1	ZINC000587678221	HJ	Annotated	Mild	
Cc1cc(Br)ncc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587678460	HJ	Annotated	Anodyne	
Cc1cc(Br)ncc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587678461	HJ	Annotated	Anodyne	
Cc1cc(Br)ncc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587678462	HJ	Annotated	Anodyne	
Cc1cc(Br)ncc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587678463	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)cc2Br)N1	ZINC000587678487	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)cc2Br)N1	ZINC000587678489	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)cc2Br)N1	ZINC000587678491	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)cc2Br)N1	ZINC000587678492	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)nc2)N1	ZINC000587678519	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)nc2)N1	ZINC000587678521	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)nc2)N1	ZINC000587678523	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)nc2)N1	ZINC000587678525	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnc2Br)N1	ZINC000587678533	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnc2Br)N1	ZINC000587678534	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnc2Br)N1	ZINC000587678536	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnc2Br)N1	ZINC000587678538	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Br)c2N)N1	ZINC000587678592	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Br)c2N)N1	ZINC000587678593	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Br)c2N)N1	ZINC000587678594	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Br)c2N)N1	ZINC000587678595	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cn2)N1	ZINC000587678643	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cn2)N1	ZINC000587678645	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C#N)(c2cccc(Br)c2)N1	ZINC000587678646	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cn2)N1	ZINC000587678647	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C#N)(c2cccc(Br)c2)N1	ZINC000587678648	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cn2)N1	ZINC000587678649	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C#N)(c2cccc(Br)c2)N1	ZINC000587678651	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C#N)(c2cccc(Br)c2)N1	ZINC000587678652	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccc2Br)N1	ZINC000587678746	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccc2Br)N1	ZINC000587678749	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2Br)N1	ZINC000587678750	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2Br)N1	ZINC000587678753	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Br)c2O)N1	ZINC000587678886	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Br)c2O)N1	ZINC000587678889	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Br)c2O)N1	ZINC000587678892	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Br)c2O)N1	ZINC000587678894	HJ	Annotated	Clean	
Cc1nc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587679013	HJ	Annotated	Anodyne	
Cc1nc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587679014	HJ	Annotated	Anodyne	
Cc1nc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587679015	HJ	Annotated	Anodyne	
Cc1nc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587679016	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)o2)N1	ZINC000587679093	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)o2)N1	ZINC000587679095	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)o2)N1	ZINC000587679097	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)o2)N1	ZINC000587679099	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)Cl)(c2c[nH]c3ccccc23)N1	ZINC000587679239	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)Cl)(c2c[nH]c3ccccc23)N1	ZINC000587679243	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)Cl)(c2c[nH]c3ccccc23)N1	ZINC000587679247	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)Cl)(c2c[nH]c3ccccc23)N1	ZINC000587679251	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2O)N1	ZINC000587679314	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2O)N1	ZINC000587679318	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2O)N1	ZINC000587679323	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2O)N1	ZINC000587679328	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cccc2Br)N1	ZINC000587679399	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cccc2Br)N1	ZINC000587679402	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cccc2Br)N1	ZINC000587679406	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cccc2Br)N1	ZINC000587679409	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O)c2Br)N1	ZINC000587679437	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O)c2Br)N1	ZINC000587679442	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O)c2Br)N1	ZINC000587679445	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O)c2Br)N1	ZINC000587679450	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2C#N)N1	ZINC000587679721	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2C#N)N1	ZINC000587679722	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2C#N)N1	ZINC000587679723	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2C#N)N1	ZINC000587679724	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2N)N1	ZINC000587679809	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2N)N1	ZINC000587679811	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2N)N1	ZINC000587679813	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2N)N1	ZINC000587679815	HJ	Annotated	Anodyne	
Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ncc1Br	ZINC000587679926	HJ	Annotated	Anodyne	
Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ncc1Br	ZINC000587679928	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ncc1Br	ZINC000587679929	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ncc1Br	ZINC000587679930	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccn2)N1	ZINC000587679968	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccn2)N1	ZINC000587679970	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccn2)N1	ZINC000587679972	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccn2)N1	ZINC000587679973	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cn2)N1	ZINC000587680004	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cn2)N1	ZINC000587680006	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cn2)N1	ZINC000587680008	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cn2)N1	ZINC000587680012	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)nc2)N1	ZINC000587680223	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)nc2)N1	ZINC000587680225	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)nc2)N1	ZINC000587680227	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)nc2)N1	ZINC000587680229	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2occc2Br)N1	ZINC000587680238	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2occc2Br)N1	ZINC000587680239	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)o2)N1	ZINC000587680240	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2occc2Br)N1	ZINC000587680241	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)o2)N1	ZINC000587680242	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2occc2Br)N1	ZINC000587680243	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)o2)N1	ZINC000587680244	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)o2)N1	ZINC000587680246	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Br)n2)N1	ZINC000587680291	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Br)n2)N1	ZINC000587680292	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Br)n2)N1	ZINC000587680297	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Br)n2)N1	ZINC000587680299	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(O)c2)N1	ZINC000587680664	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(O)c2)N1	ZINC000587680665	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(O)c2)N1	ZINC000587680666	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(O)c2)N1	ZINC000587680667	HJ	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1	ZINC000587680720	HJ	Annotated	Anodyne	
Cc1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1	ZINC000587680721	HJ	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1	ZINC000587680722	HJ	Annotated	Anodyne	
Cc1cnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1	ZINC000587680723	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2O)N1	ZINC000587680724	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2O)N1	ZINC000587680725	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2O)N1	ZINC000587680726	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2O)N1	ZINC000587680727	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2occc2Br)N1	ZINC000587680851	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2occc2Br)N1	ZINC000587680853	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2occc2Br)N1	ZINC000587680855	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2occc2Br)N1	ZINC000587680856	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(N)c2)N1	ZINC000587681010	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(N)c2)N1	ZINC000587681016	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(N)c2)N1	ZINC000587681020	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(N)c2)N1	ZINC000587681023	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)ccc2Br)N1	ZINC000587681024	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)ccc2Br)N1	ZINC000587681028	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)ccc2Br)N1	ZINC000587681031	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)ccc2Br)N1	ZINC000587681034	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#N)ccc2Br)N1	ZINC000587681128	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#N)ccc2Br)N1	ZINC000587681132	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C#N)ccc2Br)N1	ZINC000587681134	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C#N)ccc2Br)N1	ZINC000587681136	HJ	Annotated	Mild	
Cc1c(Br)cncc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587681149	HJ	Annotated	Anodyne	
Cc1c(Br)cncc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587681152	HJ	Annotated	Anodyne	
Cc1c(Br)cncc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587681156	HJ	Annotated	Anodyne	
Cc1c(Br)cncc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587681160	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccncc2Br)N1	ZINC000587681204	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccncc2Br)N1	ZINC000587681205	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccncc2Br)N1	ZINC000587681206	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccncc2Br)N1	ZINC000587681207	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2N)N1	ZINC000587681228	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2N)N1	ZINC000587681229	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2N)N1	ZINC000587681230	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2N)N1	ZINC000587681231	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnc2Br)N1	ZINC000587681278	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnc2Br)N1	ZINC000587681280	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnc2Br)N1	ZINC000587681283	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnc2Br)N1	ZINC000587681284	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2O)N1	ZINC000587681329	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2O)N1	ZINC000587681331	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2O)N1	ZINC000587681334	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2O)N1	ZINC000587681336	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(C#N)c2)N1	ZINC000587681380	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(C#N)c2)N1	ZINC000587681382	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(C#N)c2)N1	ZINC000587681384	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(C#N)c2)N1	ZINC000587681386	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)CCCl)cc2)N1	ZINC000587681760	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)CCCl)cc2)N1	ZINC000587681761	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)CCCl)cc2)N1	ZINC000587681762	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)CCCl)cc2)N1	ZINC000587681763	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)cccc2Br)N1	ZINC000587681913	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)cccc2Br)N1	ZINC000587681915	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)cccc2Br)N1	ZINC000587681917	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)cccc2Br)N1	ZINC000587681918	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Br)n2)N1	ZINC000587682039	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Br)n2)N1	ZINC000587682041	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Br)n2)N1	ZINC000587682043	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Br)n2)N1	ZINC000587682045	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cncc(Br)c2)N1	ZINC000587682291	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cncc(Br)c2)N1	ZINC000587682293	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cncc(Br)c2)N1	ZINC000587682294	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cncc(Br)c2)N1	ZINC000587682296	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(C#N)c2)N1	ZINC000587682473	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(C#N)c2)N1	ZINC000587682474	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(C#N)c2)N1	ZINC000587682476	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(C#N)c2)N1	ZINC000587682478	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCO3)N1	ZINC000587682499	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCO3)N1	ZINC000587682505	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCO3)N1	ZINC000587682508	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCO3)N1	ZINC000587682512	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)ccc2Br)N1	ZINC000587682514	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)ccc2Br)N1	ZINC000587682517	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)ccc2Br)N1	ZINC000587682519	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)ccc2Br)N1	ZINC000587682522	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(N)c2)N1	ZINC000587682545	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(N)c2)N1	ZINC000587682547	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(N)c2)N1	ZINC000587682548	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(N)c2)N1	ZINC000587682550	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2Br)N1	ZINC000587682559	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2Br)N1	ZINC000587682560	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2Br)N1	ZINC000587682562	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2Br)N1	ZINC000587682563	HJ	Annotated	Anodyne	
Cc1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br	ZINC000587682661	HJ	Annotated	Anodyne	
Cc1cnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br	ZINC000587682663	HJ	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br	ZINC000587682665	HJ	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br	ZINC000587682667	HJ	Annotated	Anodyne	
Cc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br	ZINC000587682735	HJ	Annotated	Anodyne	
Cc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br	ZINC000587682736	HJ	Annotated	Anodyne	
Cc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br	ZINC000587682738	HJ	Annotated	Anodyne	
Cc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br	ZINC000587682739	HJ	Annotated	Anodyne	
Cc1cc(Br)ncc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587682786	HJ	Annotated	Anodyne	
Cc1cc(Br)ncc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587682787	HJ	Annotated	Anodyne	
Cc1cc(Br)ncc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587682788	HJ	Annotated	Anodyne	
Cc1cc(Br)ncc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587682789	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCO3)N1	ZINC000587682840	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCO3)N1	ZINC000587682841	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCO3)N1	ZINC000587682842	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCO3)N1	ZINC000587682843	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)COC3)N1	ZINC000587682914	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)COC3)N1	ZINC000587682920	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)COC3)N1	ZINC000587682922	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)COC3)N1	ZINC000587682925	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C#N)(c2ccc(Br)cc2)N1	ZINC000587683090	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C#N)(c2ccc(Br)cc2)N1	ZINC000587683091	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C#N)(c2ccc(Br)cc2)N1	ZINC000587683092	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C#N)(c2ccc(Br)cc2)N1	ZINC000587683093	HJ	Annotated	Mild	
Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c[nH]c1Br	ZINC000587683309	HJ	Annotated	Anodyne	
Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]c1Br	ZINC000587683313	HJ	Annotated	Anodyne	
Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c[nH]c1Br	ZINC000587683315	HJ	Annotated	Anodyne	
Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]c1Br	ZINC000587683317	HJ	Annotated	Anodyne	
Cc1c(Br)cncc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587683637	HJ	Annotated	Anodyne	
Cc1c(Br)cncc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587683639	HJ	Annotated	Anodyne	
Cc1c(Br)cncc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587683640	HJ	Annotated	Anodyne	
Cc1c(Br)cncc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587683642	HJ	Annotated	Anodyne	
Cc1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1	ZINC000587683755	HJ	Annotated	Anodyne	
Cc1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1	ZINC000587683756	HJ	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1	ZINC000587683757	HJ	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1	ZINC000587683758	HJ	Annotated	Anodyne	
Cc1nc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587683814	HJ	Annotated	Anodyne	
Cc1nc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587683815	HJ	Annotated	Anodyne	
Cc1nc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587683817	HJ	Annotated	Anodyne	
Cc1nc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587683819	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(CCCCCCl)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587683923	HJ	Annotated	Reactive	
CCOC(=O)[C@]1(CCCCCCl)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587683928	HJ	Annotated	Reactive	
CCOC(=O)[C@@]1(CCCCCCl)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587683930	HJ	Annotated	Reactive	
CCOC(=O)[C@@]1(CCCCCCl)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587683931	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3[nH]c(O)cc3c2)N1	ZINC000587684068	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3[nH]c(O)cc3c2)N1	ZINC000587684069	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3[nH]c(O)cc3c2)N1	ZINC000587684070	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3[nH]c(O)cc3c2)N1	ZINC000587684071	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccc2Br)N1	ZINC000587684184	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccc2Br)N1	ZINC000587684185	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2Br)N1	ZINC000587684186	HJ	Annotated	Anodyne	
Cc1cc(Br)cnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587684187	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2Br)N1	ZINC000587684189	HJ	Annotated	Anodyne	
Cc1cc(Br)cnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587684190	HJ	Annotated	Anodyne	
Cc1cc(Br)cnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587684193	HJ	Annotated	Anodyne	
Cc1cc(Br)cnc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587684194	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2O)N1	ZINC000587684255	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2O)N1	ZINC000587684257	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2O)N1	ZINC000587684259	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2O)N1	ZINC000587684261	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C#N)(c2cccc(Br)c2)N1	ZINC000587684624	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C#N)(c2cccc(Br)c2)N1	ZINC000587684625	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C#N)(c2cccc(Br)c2)N1	ZINC000587684626	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C#N)(c2cccc(Br)c2)N1	ZINC000587684627	HJ	Annotated	Mild	
Cc1oc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br	ZINC000587684644	HJ	Annotated	Anodyne	
Cc1oc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br	ZINC000587684646	HJ	Annotated	Anodyne	
Cc1oc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br	ZINC000587684647	HJ	Annotated	Anodyne	
Cc1oc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br	ZINC000587684648	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CCCl)c2)N1	ZINC000587684929	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CCCl)c2)N1	ZINC000587684931	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CCCl)c2)N1	ZINC000587684934	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CCCl)c2)N1	ZINC000587684936	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)COC3)N1	ZINC000587685017	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)COC3)N1	ZINC000587685021	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)COC3)N1	ZINC000587685024	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)COC3)N1	ZINC000587685027	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CCCl)c2)N1	ZINC000587685302	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CCCl)c2)N1	ZINC000587685303	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CCCl)c2)N1	ZINC000587685304	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CCCl)c2)N1	ZINC000587685305	HJ	Annotated	Reactive	
Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ncc1Br	ZINC000587685961	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ncc1Br	ZINC000587685963	HJ	Annotated	Anodyne	
Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ncc1Br	ZINC000587685965	HJ	Annotated	Anodyne	
Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ncc1Br	ZINC000587685967	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cncc(Br)c2)N1	ZINC000587686240	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cncc(Br)c2)N1	ZINC000587686243	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cncc(Br)c2)N1	ZINC000587686244	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cncc(Br)c2)N1	ZINC000587686247	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ncccc23)([C@@H](C)Cl)N1	ZINC000587686320	HJ	Annotated	Reactive	
C[C@H](Cl)[C@@]1(c2c[nH]c3ncccc23)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587686321	HJ	Annotated	Reactive	
C[C@H](Cl)[C@]1(c2c[nH]c3ncccc23)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587686322	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ncccc23)([C@@H](C)Cl)N1	ZINC000587686323	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3[nH]c(O)cc3c2)N1	ZINC000587686651	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3[nH]c(O)cc3c2)N1	ZINC000587686654	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3[nH]c(O)cc3c2)N1	ZINC000587686657	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3[nH]c(O)cc3c2)N1	ZINC000587686659	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)CCCl)cc2)N1	ZINC000587686768	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)CCCl)cc2)N1	ZINC000587686769	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)CCCl)cc2)N1	ZINC000587686771	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)CCCl)cc2)N1	ZINC000587686772	HJ	Annotated	Reactive	
CCOC(=O)[C@]1(CCCCCCl)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587687267	HJ	Annotated	Reactive	
CCOC(=O)[C@]1(CCCCCCl)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587687269	HJ	Annotated	Reactive	
CCOC(=O)[C@@]1(CCCCCCl)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587687270	HJ	Annotated	Reactive	
CCOC(=O)[C@@]1(CCCCCCl)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587687272	HJ	Annotated	Reactive	
Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]c1Br	ZINC000587687701	HJ	Annotated	Anodyne	
Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c[nH]c1Br	ZINC000587687702	HJ	Annotated	Anodyne	
Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]c1Br	ZINC000587687703	HJ	Annotated	Anodyne	
Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c[nH]c1Br	ZINC000587687704	HJ	Annotated	Anodyne	
Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O	ZINC000587687724	HJ	Annotated	Reactive	
Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O	ZINC000587687725	HJ	Annotated	Reactive	
Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O	ZINC000587687726	HJ	Annotated	Reactive	
Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O	ZINC000587687727	HJ	Annotated	Reactive	
Cc1cc(Br)cnc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587688068	HJ	Annotated	Anodyne	
Cc1cc(Br)cnc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587688070	HJ	Annotated	Anodyne	
Cc1cc(Br)cnc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587688072	HJ	Annotated	Anodyne	
Cc1cc(Br)cnc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587688073	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccncc2Br)N1	ZINC000587688221	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccncc2Br)N1	ZINC000587688223	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccncc2Br)N1	ZINC000587688226	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccncc2Br)N1	ZINC000587688231	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](Cl)[C@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587688273	HJ	Annotated	Reactive	
CCOC(=O)[C@H](Cl)[C@@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587688274	HJ	Annotated	Reactive	
CCOC(=O)[C@H](Cl)[C@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587688275	HJ	Annotated	Reactive	
CCOC(=O)[C@H](Cl)[C@@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587688276	HJ	Annotated	Reactive	
Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O	ZINC000587688354	HJ	Annotated	Reactive	
Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O	ZINC000587688355	HJ	Annotated	Reactive	
Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O	ZINC000587688356	HJ	Annotated	Reactive	
Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O	ZINC000587688357	HJ	Annotated	Reactive	
CCOC(=O)[C@H](Cl)[C@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587688396	HJ	Annotated	Reactive	
CCOC(=O)[C@H](Cl)[C@@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587688397	HJ	Annotated	Reactive	
CCOC(=O)[C@H](Cl)[C@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587688399	HJ	Annotated	Reactive	
CCOC(=O)[C@H](Cl)[C@@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587688401	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(Cl)ccc2O)N1	ZINC000587689098	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(Cl)ccc2O)N1	ZINC000587689099	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(Cl)ccc2O)N1	ZINC000587689100	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(Cl)ccc2O)N1	ZINC000587689101	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(Cl)ccc2O)N1	ZINC000587689943	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(Cl)ccc2O)N1	ZINC000587689944	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(Cl)ccc2O)N1	ZINC000587689945	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(Cl)ccc2O)N1	ZINC000587689946	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ncccc23)([C@@H](C)Cl)N1	ZINC000587690182	HJ	Annotated	Reactive	
C[C@H](Cl)[C@]1(c2c[nH]c3ncccc23)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587690183	HJ	Annotated	Reactive	
C[C@H](Cl)[C@@]1(c2c[nH]c3ncccc23)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587690184	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ncccc23)([C@@H](C)Cl)N1	ZINC000587690185	HJ	Annotated	Reactive	
COc1cc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587690957	HJ	Annotated	Anodyne	
COc1cc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587690958	HJ	Annotated	Anodyne	
COc1cc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587690959	HJ	Annotated	Anodyne	
COc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587690960	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)c([N+](=O)[O-])c2)N1	ZINC000587691113	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)c([N+](=O)[O-])c2)N1	ZINC000587691114	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)c([N+](=O)[O-])c2)N1	ZINC000587691115	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)c([N+](=O)[O-])c2)N1	ZINC000587691116	HJ	Annotated	Bother	
COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)c1Cl	ZINC000587691247	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)c1Cl	ZINC000587691254	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)c1Cl	ZINC000587691256	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)c1Cl	ZINC000587691257	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)c(Cl)cc(Cl)c2O)N1	ZINC000587691282	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)c(Cl)cc(Cl)c2O)N1	ZINC000587691284	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)c(Cl)cc(Cl)c2O)N1	ZINC000587691286	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)c(Cl)cc(Cl)c2O)N1	ZINC000587691288	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc([N+](=O)[O-])ccc2Cl)N1	ZINC000587691357	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc([N+](=O)[O-])ccc2Cl)N1	ZINC000587691358	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc([N+](=O)[O-])ccc2Cl)N1	ZINC000587691359	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc([N+](=O)[O-])ccc2Cl)N1	ZINC000587691360	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc([N+](=O)[O-])cc2Cl)N1	ZINC000587691513	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc([N+](=O)[O-])cc2Cl)N1	ZINC000587691514	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc([N+](=O)[O-])cc2Cl)N1	ZINC000587691515	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc([N+](=O)[O-])cc2Cl)N1	ZINC000587691516	HJ	Annotated	Bother	
COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1O	ZINC000587691633	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1O	ZINC000587691634	HJ	Annotated	Anodyne	
COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1O	ZINC000587691635	HJ	Annotated	Anodyne	
COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1O	ZINC000587691636	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)c([N+](=O)[O-])c2)N1	ZINC000587691641	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)c([N+](=O)[O-])c2)N1	ZINC000587691642	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)c([N+](=O)[O-])c2)N1	ZINC000587691643	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)c([N+](=O)[O-])c2)N1	ZINC000587691644	HJ	Annotated	Bother	
COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC	ZINC000587691765	HJ	Annotated	Anodyne	
COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC	ZINC000587691766	HJ	Annotated	Anodyne	
COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC	ZINC000587691767	HJ	Annotated	Anodyne	
COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC	ZINC000587691768	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587691835	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587691836	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587691837	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587691838	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1	ZINC000587691885	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1	ZINC000587691887	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1	ZINC000587691888	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1	ZINC000587691889	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1Cl	ZINC000587691956	HJ	Annotated	Clean	
COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1Cl	ZINC000587691958	HJ	Annotated	Clean	
COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1Cl	ZINC000587691960	HJ	Annotated	Clean	
COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1Cl	ZINC000587691962	HJ	Annotated	Clean	
COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1O	ZINC000587691997	HJ	Annotated	Anodyne	
COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1O	ZINC000587691998	HJ	Annotated	Anodyne	
COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1O	ZINC000587691999	HJ	Annotated	Anodyne	
COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1O	ZINC000587692000	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1O	ZINC000587692020	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1O	ZINC000587692022	HJ	Annotated	Anodyne	
COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1O	ZINC000587692024	HJ	Annotated	Anodyne	
COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1O	ZINC000587692027	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)cccc2[N+](=O)[O-])N1	ZINC000587692096	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)cccc2[N+](=O)[O-])N1	ZINC000587692097	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)cccc2[N+](=O)[O-])N1	ZINC000587692098	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)cccc2[N+](=O)[O-])N1	ZINC000587692099	HJ	Annotated	Bother	
C#CCOc1ccc(Cl)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587692106	HJ	Annotated	Mild	
COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)c1Cl	ZINC000587692108	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)c1Cl	ZINC000587692109	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)c1Cl	ZINC000587692110	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)c1Cl	ZINC000587692111	HJ	Annotated	Anodyne	
COc1cc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1	ZINC000587692124	HJ	Annotated	Clean	
COc1cc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1	ZINC000587692125	HJ	Annotated	Clean	
C#CCOc1ccc(Cl)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587692126	HJ	Annotated	Mild	
C#CCOc1ccc(Cl)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587692127	HJ	Annotated	Mild	
C#CCOc1ccc(Cl)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587692128	HJ	Annotated	Mild	
C[C@@H]1C(=O)Oc2ccc(Cl)cc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587692149	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Cl)ccc1OC(=O)[C@@H]2C	ZINC000587692150	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Cl)ccc1OC(=O)[C@@H]2C	ZINC000587692151	HJ	Annotated	Anodyne	
C[C@@H]1C(=O)Oc2ccc(Cl)cc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587692152	HJ	Annotated	Anodyne	
COc1cc2c(cc1Cl)CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587692177	HJ	Annotated	Anodyne	
COc1cc2c(cc1Cl)CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587692178	HJ	Annotated	Anodyne	
COc1cc2c(cc1Cl)CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587692179	HJ	Annotated	Anodyne	
COc1cc2c(cc1Cl)CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587692180	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C#N)=COc1ccc(Cl)cc12	ZINC000587692181	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C#N)=COc1ccc(Cl)cc12	ZINC000587692182	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C#N)=COc1ccc(Cl)cc12	ZINC000587692183	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C#N)=COc1ccc(Cl)cc12	ZINC000587692184	HJ	Annotated	Reactive	
COc1cc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1	ZINC000587692225	HJ	Annotated	Clean	
COc1cc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1	ZINC000587692228	HJ	Annotated	Clean	
COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1Cl	ZINC000587692695	HJ	Annotated	Anodyne	
COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1Cl	ZINC000587692696	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1Cl	ZINC000587692698	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1Cl	ZINC000587692699	HJ	Annotated	Anodyne	
COc1cc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587692724	HJ	Annotated	Anodyne	
COc1cc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587692726	HJ	Annotated	Anodyne	
COc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587692728	HJ	Annotated	Anodyne	
COc1cc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587692730	HJ	Annotated	Anodyne	
COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1Cl	ZINC000587692829	HJ	Annotated	Anodyne	
COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1Cl	ZINC000587692832	HJ	Annotated	Anodyne	
COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1Cl	ZINC000587692834	HJ	Annotated	Anodyne	
COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1Cl	ZINC000587692836	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc([N+](=O)[O-])ccc2Cl)N1	ZINC000587692851	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc([N+](=O)[O-])ccc2Cl)N1	ZINC000587692854	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc([N+](=O)[O-])ccc2Cl)N1	ZINC000587692855	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc([N+](=O)[O-])ccc2Cl)N1	ZINC000587692857	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc([N+](=O)[O-])cc2Cl)N1	ZINC000587692904	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc([N+](=O)[O-])cc2Cl)N1	ZINC000587692907	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc([N+](=O)[O-])cc2Cl)N1	ZINC000587692909	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc([N+](=O)[O-])cc2Cl)N1	ZINC000587692911	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3ccc(Cl)cc3c2=O)N1	ZINC000587692920	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3ccc(Cl)cc3c2=O)N1	ZINC000587692947	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3ccc(Cl)cc3c2=O)N1	ZINC000587692949	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3ccc(Cl)cc3c2=O)N1	ZINC000587692951	HJ	Annotated	Anodyne	
Cc1nn(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Cl	ZINC000587693115	HJ	Annotated	Anodyne	
Cc1nn(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Cl	ZINC000587693116	HJ	Annotated	Anodyne	
Cc1nn(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Cl	ZINC000587693117	HJ	Annotated	Anodyne	
Cc1nn(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Cl	ZINC000587693118	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)cccc2[N+](=O)[O-])N1	ZINC000587693216	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)cccc2[N+](=O)[O-])N1	ZINC000587693219	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)cccc2[N+](=O)[O-])N1	ZINC000587693221	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)cccc2[N+](=O)[O-])N1	ZINC000587693223	HJ	Annotated	Bother	
COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1Cl	ZINC000587693240	HJ	Annotated	Anodyne	
COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1Cl	ZINC000587693242	HJ	Annotated	Anodyne	
COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1Cl	ZINC000587693243	HJ	Annotated	Anodyne	
COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1Cl	ZINC000587693245	HJ	Annotated	Anodyne	
COc1cc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1	ZINC000587693645	HJ	Annotated	Clean	
COc1cc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1	ZINC000587693646	HJ	Annotated	Clean	
COc1cc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1	ZINC000587693647	HJ	Annotated	Clean	
COc1cc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1	ZINC000587693648	HJ	Annotated	Clean	
Cc1nn(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1Cl	ZINC000587693716	HJ	Annotated	Anodyne	
Cc1nn(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1Cl	ZINC000587693718	HJ	Annotated	Anodyne	
Cc1nn(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1Cl	ZINC000587693720	HJ	Annotated	Anodyne	
Cc1nn(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1Cl	ZINC000587693721	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)ccc2[N+](=O)[O-])N1	ZINC000587693723	HJ	Annotated	Bother	
COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O	ZINC000587693724	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)ccc2[N+](=O)[O-])N1	ZINC000587693725	HJ	Annotated	Bother	
COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O	ZINC000587693726	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)ccc2[N+](=O)[O-])N1	ZINC000587693727	HJ	Annotated	Bother	
COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O	ZINC000587693728	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)ccc2[N+](=O)[O-])N1	ZINC000587693729	HJ	Annotated	Bother	
COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O	ZINC000587693730	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3cc(O)c(Cl)cc32)N1	ZINC000587693985	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cc(O)c(Cl)cc32)N1	ZINC000587694005	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3cc(O)c(Cl)cc32)N1	ZINC000587694007	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cc(O)c(Cl)cc32)N1	ZINC000587694008	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O	ZINC000587694165	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O	ZINC000587694166	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O	ZINC000587694167	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O	ZINC000587694168	HJ	Annotated	Anodyne	
COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1OC	ZINC000587694189	HJ	Annotated	Anodyne	
COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1OC	ZINC000587694190	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1OC	ZINC000587694191	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1OC	ZINC000587694192	HJ	Annotated	Anodyne	
C#CCOc1cccc(Cl)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587694193	HJ	Annotated	Mild	
C#CCOc1cccc(Cl)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587694194	HJ	Annotated	Mild	
C#CCOc1cccc(Cl)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587694195	HJ	Annotated	Mild	
C#CCOc1cccc(Cl)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587694196	HJ	Annotated	Mild	
COC(=O)c1ccc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587694705	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587694706	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587694707	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587694708	HJ	Annotated	Anodyne	
CC(=O)C[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587694763	HJ	Annotated	Anodyne	
CC(=O)C[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587694766	HJ	Annotated	Anodyne	
CC(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587694768	HJ	Annotated	Anodyne	
CC(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587694770	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1	ZINC000587694847	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1	ZINC000587694849	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1	ZINC000587694852	HJ	Annotated	Anodyne	
COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1	ZINC000587694854	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc3c2OCOC3)N1	ZINC000587695119	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc3c2OCOC3)N1	ZINC000587695128	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc3c2OCOC3)N1	ZINC000587695131	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc3c2OCOC3)N1	ZINC000587695134	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3cc(O)c(Cl)cc32)N1	ZINC000587695179	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cc(O)c(Cl)cc32)N1	ZINC000587695180	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3cc(O)c(Cl)cc32)N1	ZINC000587695181	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cc(O)c(Cl)cc32)N1	ZINC000587695183	HJ	Annotated	Anodyne	
COc1cc2c(cc1Cl)CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587695229	HJ	Annotated	Anodyne	
COc1cc2c(cc1Cl)CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587695230	HJ	Annotated	Anodyne	
COc1cc2c(cc1Cl)CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587695231	HJ	Annotated	Anodyne	
COc1cc2c(cc1Cl)CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587695232	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C(=O)O)(c2ccc(Cl)cc2)N1	ZINC000587695432	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\C(=O)O)(c2ccc(Cl)cc2)N1	ZINC000587695472	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/C(=O)O)(c2ccc(Cl)cc2)N1	ZINC000587695474	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\C(=O)O)(c2ccc(Cl)cc2)N1	ZINC000587695476	HJ	Annotated	Anodyne	
CC(=O)C[C@]1(c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587695505	HJ	Annotated	Anodyne	
CC(=O)C[C@]1(c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587695510	HJ	Annotated	Anodyne	
CC(=O)C[C@@]1(c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587695513	HJ	Annotated	Anodyne	
CC(=O)C[C@@]1(c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587695517	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc(Cl)cc3)no2)N1	ZINC000587695709	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc(Cl)cc3)no2)N1	ZINC000587695711	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc(Cl)cc3)no2)N1	ZINC000587695713	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc(Cl)cc3)no2)N1	ZINC000587695715	HJ	Annotated	Anodyne	
COc1cc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl	ZINC000587695795	HJ	Annotated	Clean	
COc1cc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl	ZINC000587695796	HJ	Annotated	Clean	
COc1cc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl	ZINC000587695797	HJ	Annotated	Clean	
COc1cc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl	ZINC000587695798	HJ	Annotated	Clean	
COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1OC	ZINC000587695808	HJ	Annotated	Anodyne	
COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1OC	ZINC000587695809	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1OC	ZINC000587695811	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1OC	ZINC000587695813	HJ	Annotated	Anodyne	
C#CCOc1cccc(Cl)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587695844	HJ	Annotated	Mild	
C#CCOc1cccc(Cl)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587695847	HJ	Annotated	Mild	
C#CCOc1cccc(Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587695849	HJ	Annotated	Mild	
C#CCOc1cccc(Cl)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587695851	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ncc[nH]2)N1	ZINC000587696149	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ncc[nH]2)N1	ZINC000587696150	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ncc[nH]2)N1	ZINC000587696151	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ncc[nH]2)N1	ZINC000587696152	HJ	Annotated	Anodyne	
CC(=O)C[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587696209	HJ	Annotated	Anodyne	
CC(=O)C[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587696210	HJ	Annotated	Anodyne	
CC(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587696211	HJ	Annotated	Anodyne	
CC(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587696212	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cc([N+](=O)[O-])c2)N1	ZINC000587696213	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cc([N+](=O)[O-])c2)N1	ZINC000587696214	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)cc([N+](=O)[O-])c2)N1	ZINC000587696215	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)cc([N+](=O)[O-])c2)N1	ZINC000587696216	HJ	Annotated	Bother	
COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1O	ZINC000587696413	HJ	Annotated	Anodyne	
COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1O	ZINC000587696416	HJ	Annotated	Anodyne	
COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1O	ZINC000587696419	HJ	Annotated	Anodyne	
COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1O	ZINC000587696421	HJ	Annotated	Anodyne	
COc1cc(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC	ZINC000587696604	HJ	Annotated	Anodyne	
COc1cc(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC	ZINC000587696605	HJ	Annotated	Anodyne	
COc1cc(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC	ZINC000587696607	HJ	Annotated	Anodyne	
COc1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC	ZINC000587696609	HJ	Annotated	Anodyne	
COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1Cl	ZINC000587696917	HJ	Annotated	Anodyne	
COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1Cl	ZINC000587696919	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1Cl	ZINC000587696921	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1Cl	ZINC000587696922	HJ	Annotated	Anodyne	
COc1cc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl	ZINC000587696949	HJ	Annotated	Clean	
COc1cc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl	ZINC000587696950	HJ	Annotated	Clean	
COc1cc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl	ZINC000587696952	HJ	Annotated	Clean	
COc1cc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl	ZINC000587696954	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)c(Cl)cc(Cl)c2O)N1	ZINC000587697026	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)c(Cl)cc(Cl)c2O)N1	ZINC000587697028	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)c(Cl)cc(Cl)c2O)N1	ZINC000587697030	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)c(Cl)cc(Cl)c2O)N1	ZINC000587697032	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)ccc2[N+](=O)[O-])N1	ZINC000587697679	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)ccc2[N+](=O)[O-])N1	ZINC000587697682	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)ccc2[N+](=O)[O-])N1	ZINC000587697685	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)ccc2[N+](=O)[O-])N1	ZINC000587697688	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccc(Cl)c(Cl)c2)N1	ZINC000587697696	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccc(Cl)c(Cl)c2)N1	ZINC000587697699	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccc(Cl)c(Cl)c2)N1	ZINC000587697702	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccc(Cl)c(Cl)c2)N1	ZINC000587697704	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccc(Cl)c(Cl)c2)N1	ZINC000587697773	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccc(Cl)c(Cl)c2)N1	ZINC000587697774	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccc(Cl)c(Cl)c2)N1	ZINC000587697775	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccc(Cl)c(Cl)c2)N1	ZINC000587697776	HJ	Annotated	Anodyne	
C#CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl	ZINC000587697803	HJ	Annotated	Mild	
C#CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl	ZINC000587697806	HJ	Annotated	Mild	
C#CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl	ZINC000587697809	HJ	Annotated	Mild	
C#CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl	ZINC000587697810	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCC#N)N1	ZINC000587697908	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCC#N)N1	ZINC000587697911	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCC#N)N1	ZINC000587697913	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCC#N)N1	ZINC000587697915	HJ	Annotated	Mild	
CC(=O)C[C@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587698086	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1O	ZINC000587698087	HJ	Annotated	Anodyne	
CC(=O)C[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587698088	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1O	ZINC000587698089	HJ	Annotated	Anodyne	
CC(=O)C[C@@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587698090	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1O	ZINC000587698091	HJ	Annotated	Anodyne	
CC(=O)C[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587698093	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1O	ZINC000587698094	HJ	Annotated	Anodyne	
COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC	ZINC000587698104	HJ	Annotated	Anodyne	
COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC	ZINC000587698106	HJ	Annotated	Anodyne	
COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC	ZINC000587698108	HJ	Annotated	Anodyne	
COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC	ZINC000587698111	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc3c2OCOC3)N1	ZINC000587698439	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc3c2OCOC3)N1	ZINC000587698442	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc3c2OCOC3)N1	ZINC000587698444	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc3c2OCOC3)N1	ZINC000587698447	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)cc2[N+](=O)[O-])N1	ZINC000587698475	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)cc2[N+](=O)[O-])N1	ZINC000587698478	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)cc2[N+](=O)[O-])N1	ZINC000587698480	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)cc2[N+](=O)[O-])N1	ZINC000587698483	HJ	Annotated	Bother	
COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1Cl	ZINC000587698564	HJ	Annotated	Clean	
COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1Cl	ZINC000587698565	HJ	Annotated	Clean	
COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1Cl	ZINC000587698567	HJ	Annotated	Clean	
COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1Cl	ZINC000587698569	HJ	Annotated	Clean	
COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1O	ZINC000587698648	HJ	Annotated	Anodyne	
COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1O	ZINC000587698649	HJ	Annotated	Anodyne	
COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1O	ZINC000587698651	HJ	Annotated	Anodyne	
COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1O	ZINC000587698653	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587698826	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587698828	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587698831	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587698833	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3ccc(Cl)cc3c2=O)N1	ZINC000587698870	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3ccc(Cl)cc3c2=O)N1	ZINC000587698872	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3ccc(Cl)cc3c2=O)N1	ZINC000587698875	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3ccc(Cl)cc3c2=O)N1	ZINC000587698877	HJ	Annotated	Anodyne	
COc1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC	ZINC000587699253	HJ	Annotated	Anodyne	
COc1cc(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC	ZINC000587699255	HJ	Annotated	Anodyne	
COc1cc(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC	ZINC000587699258	HJ	Annotated	Anodyne	
COc1cc(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC	ZINC000587699260	HJ	Annotated	Anodyne	
C[C@@H]1C(=O)Oc2ccc(Cl)cc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587699290	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Cl)ccc1OC(=O)[C@@H]2C	ZINC000587699295	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Cl)ccc1OC(=O)[C@@H]2C	ZINC000587699298	HJ	Annotated	Anodyne	
C[C@@H]1C(=O)Oc2ccc(Cl)cc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587699302	HJ	Annotated	Anodyne	
COc1cc(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587699415	HJ	Annotated	Clean	
COc1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587699417	HJ	Annotated	Clean	
COc1cc(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587699425	HJ	Annotated	Clean	
COc1cc(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587699429	HJ	Annotated	Clean	
C#CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl	ZINC000587699558	HJ	Annotated	Mild	
C#CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl	ZINC000587699560	HJ	Annotated	Mild	
C#CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl	ZINC000587699563	HJ	Annotated	Mild	
C#CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl	ZINC000587699566	HJ	Annotated	Mild	
CC(=O)C[C@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587699617	HJ	Annotated	Anodyne	
CC(=O)C[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587699620	HJ	Annotated	Anodyne	
CC(=O)C[C@@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587699624	HJ	Annotated	Anodyne	
CC(=O)C[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587699627	HJ	Annotated	Anodyne	
CCCn1nc(C)c(Cl)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587699964	HJ	Annotated	Anodyne	
CCCn1nc(C)c(Cl)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587699968	HJ	Annotated	Anodyne	
CCCn1nc(C)c(Cl)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587699969	HJ	Annotated	Anodyne	
CCCn1nc(C)c(Cl)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587699971	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ncc[nH]2)N1	ZINC000587700173	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ncc[nH]2)N1	ZINC000587700175	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ncc[nH]2)N1	ZINC000587700177	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ncc[nH]2)N1	ZINC000587700179	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCC#N)N1	ZINC000587700647	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCC#N)N1	ZINC000587700649	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCC#N)N1	ZINC000587700650	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCC#N)N1	ZINC000587700652	HJ	Annotated	Mild	
C#CCOc1ccc(Cl)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587700698	HJ	Annotated	Mild	
C#CCOc1ccc(Cl)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587700700	HJ	Annotated	Mild	
C#CCOc1ccc(Cl)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587700701	HJ	Annotated	Mild	
C#CCOc1ccc(Cl)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587700702	HJ	Annotated	Mild	
CCCn1nc(C)c(Cl)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587701212	HJ	Annotated	Anodyne	
CCCn1nc(C)c(Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587701214	HJ	Annotated	Anodyne	
CCCn1nc(C)c(Cl)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587701217	HJ	Annotated	Anodyne	
CCCn1nc(C)c(Cl)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587701219	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(C(C)(C)C)N1	ZINC000587701260	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(C(C)(C)C)N1	ZINC000587701272	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(C(C)(C)C)N1	ZINC000587701277	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(C(C)(C)C)N1	ZINC000587701280	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=COc1cc(O)ccc12	ZINC000587701281	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=COc1cc(O)ccc12	ZINC000587701287	HJ	Annotated	Anodyne	
CC(=O)C[C@]1(c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587701292	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=COc1cc(O)ccc12	ZINC000587701294	HJ	Annotated	Anodyne	
CC(=O)C[C@]1(c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587701295	HJ	Annotated	Anodyne	
CC(=O)C[C@@]1(c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587701298	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=COc1cc(O)ccc12	ZINC000587701299	HJ	Annotated	Anodyne	
CC(=O)C[C@@]1(c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587701301	HJ	Annotated	Anodyne	
CCO/C=C(/Cl)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587701419	HJ	Annotated	Anodyne	
CCO/C=C(\Cl)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587701420	HJ	Annotated	Anodyne	
CCO/C=C(\Cl)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587701421	HJ	Annotated	Anodyne	
CCO/C=C(/Cl)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587701422	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C#N)=COc1ccc(Cl)cc12	ZINC000587701543	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C#N)=COc1ccc(Cl)cc12	ZINC000587701545	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C#N)=COc1ccc(Cl)cc12	ZINC000587701547	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C#N)=COc1ccc(Cl)cc12	ZINC000587701549	HJ	Annotated	Reactive	
COC(=O)c1cc(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587701562	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587701564	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587701565	HJ	Annotated	Anodyne	
COC(=O)c1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587701567	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2N)(C(F)(F)F)N1	ZINC000587701722	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2N)(C(F)(F)F)N1	ZINC000587701725	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2N)(C(F)(F)F)N1	ZINC000587701728	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2N)(C(F)(F)F)N1	ZINC000587701731	HJ	Annotated	Anodyne	
Cc1cccc(C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587701766	HJ	Annotated	Anodyne	
Cc1cccc(C[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587701769	HJ	Annotated	Anodyne	
Cc1cccc(C[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587701775	HJ	Annotated	Anodyne	
Cc1cccc(C[C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587701781	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2O)(C(F)(F)F)N1	ZINC000587701877	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2O)(C(F)(F)F)N1	ZINC000587701923	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2O)(C(F)(F)F)N1	ZINC000587701927	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2O)(C(F)(F)F)N1	ZINC000587701929	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)cc2[N+](=O)[O-])N1	ZINC000587701984	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)cc2[N+](=O)[O-])N1	ZINC000587701986	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)cc2[N+](=O)[O-])N1	ZINC000587701990	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)cc2[N+](=O)[O-])N1	ZINC000587701994	HJ	Annotated	Bother	
COc1cc(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587702354	HJ	Annotated	Clean	
COc1cc(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587702355	HJ	Annotated	Clean	
COc1cc(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587702356	HJ	Annotated	Clean	
COc1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587702357	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)c3ccnc(Cl)c23)N1	ZINC000587702426	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)c3ccnc(Cl)c23)N1	ZINC000587702430	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)c3ccnc(Cl)c23)N1	ZINC000587702434	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)c3ccnc(Cl)c23)N1	ZINC000587702439	HJ	Annotated	Anodyne	
CCCCc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)[nH]1	ZINC000587702450	HJ	Annotated	Anodyne	
CCCCc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)[nH]1	ZINC000587702454	HJ	Annotated	Anodyne	
CCCCc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)[nH]1	ZINC000587702457	HJ	Annotated	Anodyne	
CCCCc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)[nH]1	ZINC000587702460	HJ	Annotated	Anodyne	
C/C(=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)NC(C)C	ZINC000587702605	HJ	Annotated	Anodyne	
C/C(=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)NC(C)C	ZINC000587702610	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)NC(C)C	ZINC000587702612	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)NC(C)C	ZINC000587702615	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2N)(C(F)(F)F)N1	ZINC000587702625	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2N)(C(F)(F)F)N1	ZINC000587702632	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2N)(C(F)(F)F)N1	ZINC000587702634	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2N)(C(F)(F)F)N1	ZINC000587702636	HJ	Annotated	Anodyne	
COc1ccccc1[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587702651	HJ	Annotated	Anodyne	
COc1ccccc1[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587702652	HJ	Annotated	Anodyne	
COc1ccccc1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587702653	HJ	Annotated	Anodyne	
COc1ccccc1[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587702654	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\C(=O)O)(c2ccc(Cl)cc2)N1	ZINC000587702997	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C(=O)O)(c2ccc(Cl)cc2)N1	ZINC000587702998	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\C(=O)O)(c2ccc(Cl)cc2)N1	ZINC000587702999	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/C(=O)O)(c2ccc(Cl)cc2)N1	ZINC000587703000	HJ	Annotated	Anodyne	
CCCCc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)[nH]1	ZINC000587703147	HJ	Annotated	Anodyne	
CCCCc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)[nH]1	ZINC000587703150	HJ	Annotated	Anodyne	
CCCCc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)[nH]1	ZINC000587703152	HJ	Annotated	Anodyne	
CCCCc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)[nH]1	ZINC000587703155	HJ	Annotated	Anodyne	
Cc1nc2ccc(Cl)cn2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587703239	HJ	Annotated	Anodyne	
Cc1nc2ccc(Cl)cn2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587703251	HJ	Annotated	Anodyne	
Cc1nc2ccc(Cl)cn2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587703253	HJ	Annotated	Anodyne	
Cc1nc2ccc(Cl)cn2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587703255	HJ	Annotated	Anodyne	
C/C(=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)NC(C)C	ZINC000587703362	HJ	Annotated	Anodyne	
C/C(=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)NC(C)C	ZINC000587703365	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)NC(C)C	ZINC000587703368	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)NC(C)C	ZINC000587703372	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccncc2)(C(F)(F)F)N1	ZINC000587703858	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccncc2)(C(F)(F)F)N1	ZINC000587703862	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccncc2)(C(F)(F)F)N1	ZINC000587703864	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccncc2)(C(F)(F)F)N1	ZINC000587703867	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1	ZINC000587704248	HJ	Annotated	Clean	
Cc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1	ZINC000587704249	HJ	Annotated	Clean	
Cc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1	ZINC000587704250	HJ	Annotated	Clean	
Cc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1	ZINC000587704251	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cc([N+](=O)[O-])c2)N1	ZINC000587704418	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cc([N+](=O)[O-])c2)N1	ZINC000587704419	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cc([N+](=O)[O-])c2)N1	ZINC000587704420	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cc([N+](=O)[O-])c2)N1	ZINC000587704421	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2c(Cl)ncnc2Cl)N1	ZINC000587704568	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2c(Cl)ncnc2Cl)N1	ZINC000587704569	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2c(Cl)ncnc2Cl)N1	ZINC000587704570	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2c(Cl)ncnc2Cl)N1	ZINC000587704571	HJ	Annotated	Anodyne	
CC(C)CC(=O)C[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587704626	HJ	Annotated	Anodyne	
CC(C)CC(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587704627	HJ	Annotated	Anodyne	
CC(C)CC(=O)C[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587704629	HJ	Annotated	Anodyne	
CC(C)CC(=O)C[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587704630	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccco2)(C(F)(F)F)N1	ZINC000587704737	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccco2)(C(F)(F)F)N1	ZINC000587704738	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccco2)(C(F)(F)F)N1	ZINC000587704739	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccco2)(C(F)(F)F)N1	ZINC000587704740	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)c3ccccc3oc2=O)N1	ZINC000587704853	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)c3ccccc3oc2=O)N1	ZINC000587704854	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)c3ccccc3oc2=O)N1	ZINC000587704855	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)c3ccccc3oc2=O)N1	ZINC000587704856	HJ	Annotated	Anodyne	
Cc1cc(Cl)c2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2c1	ZINC000587704936	HJ	Annotated	Anodyne	
Cc1cc(Cl)c2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2c1	ZINC000587704937	HJ	Annotated	Anodyne	
Cc1cc(Cl)c2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2c1	ZINC000587704938	HJ	Annotated	Anodyne	
Cc1cc(Cl)c2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2c1	ZINC000587704939	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=CC(=O)c1ccccc12	ZINC000587705005	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(C)(C)C)(C(F)(F)F)N1	ZINC000587705018	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(C)(C)C)(C(F)(F)F)N1	ZINC000587705020	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(C)(C)C)(C(F)(F)F)N1	ZINC000587705022	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(C)(C)C)(C(F)(F)F)N1	ZINC000587705024	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=CC(=O)c1ccccc12	ZINC000587705029	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=CC(=O)c1ccccc12	ZINC000587705031	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=CC(=O)c1ccccc12	ZINC000587705034	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2N)(C(F)(F)F)N1	ZINC000587705373	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2N)(C(F)(F)F)N1	ZINC000587705376	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2N)(C(F)(F)F)N1	ZINC000587705380	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2N)(C(F)(F)F)N1	ZINC000587705383	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(C(C)(C)C)N1	ZINC000587705417	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(C(C)(C)C)N1	ZINC000587705419	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(C(C)(C)C)N1	ZINC000587705421	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(C(C)(C)C)N1	ZINC000587705423	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2c(Cl)ncnc2Cl)N1	ZINC000587705675	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2c(Cl)ncnc2Cl)N1	ZINC000587705676	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2c(Cl)ncnc2Cl)N1	ZINC000587705677	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2c(Cl)ncnc2Cl)N1	ZINC000587705678	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)nc3ccccn23)N1	ZINC000587705691	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)nc3ccccn23)N1	ZINC000587705692	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)nc3ccccn23)N1	ZINC000587705693	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)nc3ccccn23)N1	ZINC000587705694	HJ	Annotated	Anodyne	
CCO/C=C(/Cl)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587705699	HJ	Annotated	Anodyne	
CCO/C=C(\Cl)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587705700	HJ	Annotated	Anodyne	
CCO/C=C(/Cl)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587705701	HJ	Annotated	Anodyne	
CCO/C=C(\Cl)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587705702	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)nc3ccccn23)N1	ZINC000587705743	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)nc3ccccn23)N1	ZINC000587705744	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)nc3ccccn23)N1	ZINC000587705745	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)nc3ccccn23)N1	ZINC000587705746	HJ	Annotated	Anodyne	
CC(C)C[C@@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587705824	HJ	Annotated	Anodyne	
CC(C)C[C@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587705826	HJ	Annotated	Anodyne	
CC(C)C[C@@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587705828	HJ	Annotated	Anodyne	
CC(C)C[C@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587705830	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(Cl)C(=O)c3ccccc32)N1	ZINC000587706055	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(Cl)C(=O)c3ccccc32)N1	ZINC000587706056	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(Cl)C(=O)c3ccccc32)N1	ZINC000587706057	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(Cl)C(=O)c3ccccc32)N1	ZINC000587706058	HJ	Annotated	Mild	
C[C@H](Br)[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587706148	HJ	Annotated	Reactive	
C[C@H](Br)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587706151	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H](C)Br)(C(F)(F)F)N1	ZINC000587706152	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H](C)Br)(C(F)(F)F)N1	ZINC000587706153	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=CC(=O)c1ccccc12	ZINC000587706205	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=CC(=O)c1ccccc12	ZINC000587706209	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=CC(=O)c1ccccc12	ZINC000587706213	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=CC(=O)c1ccccc12	ZINC000587706216	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c(O)cccc2F)(C(F)(F)F)N1	ZINC000587706218	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c(O)cccc2F)(C(F)(F)F)N1	ZINC000587706220	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(O)cccc2F)(C(F)(F)F)N1	ZINC000587706221	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(O)cccc2F)(C(F)(F)F)N1	ZINC000587706222	HJ	Annotated	Clean	
Cc1cc(Cl)c2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2c1	ZINC000587706274	HJ	Annotated	Anodyne	
Cc1cc(Cl)c2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2c1	ZINC000587706275	HJ	Annotated	Anodyne	
Cc1cc(Cl)c2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2c1	ZINC000587706337	HJ	Annotated	Anodyne	
Cc1cc(Cl)c2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2c1	ZINC000587706338	HJ	Annotated	Anodyne	
Cc1cccc(C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587706424	HJ	Annotated	Anodyne	
Cc1cccc(C[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587706425	HJ	Annotated	Anodyne	
Cc1cccc(C[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587706429	HJ	Annotated	Anodyne	
Cc1cccc(C[C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587706432	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccn2)(C(F)(F)F)N1	ZINC000587706434	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccn2)(C(F)(F)F)N1	ZINC000587706436	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccn2)(C(F)(F)F)N1	ZINC000587706437	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccn2)(C(F)(F)F)N1	ZINC000587706439	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c(O)cccc2F)(C(F)(F)F)N1	ZINC000587706455	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c(O)cccc2F)(C(F)(F)F)N1	ZINC000587706457	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(O)cccc2F)(C(F)(F)F)N1	ZINC000587706459	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(O)cccc2F)(C(F)(F)F)N1	ZINC000587706461	HJ	Annotated	Clean	
CC(C)C[C@@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587706493	HJ	Annotated	Anodyne	
CC(C)C[C@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587706494	HJ	Annotated	Anodyne	
CC(C)C[C@@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587706495	HJ	Annotated	Anodyne	
CC(C)C[C@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587706496	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccco2)(C(F)(F)F)N1	ZINC000587706521	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccco2)(C(F)(F)F)N1	ZINC000587706522	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccco2)(C(F)(F)F)N1	ZINC000587706524	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccco2)(C(F)(F)F)N1	ZINC000587706526	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(Cl)C(=O)c3ccccc32)N1	ZINC000587706667	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(Cl)C(=O)c3ccccc32)N1	ZINC000587706671	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(Cl)C(=O)c3ccccc32)N1	ZINC000587706673	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(Cl)C(=O)c3ccccc32)N1	ZINC000587706676	HJ	Annotated	Mild	
CC(C)CC(=O)C[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587706747	HJ	Annotated	Anodyne	
CC(C)CC(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587706748	HJ	Annotated	Anodyne	
CC(C)CC(=O)C[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587706749	HJ	Annotated	Anodyne	
CC(C)CC(=O)C[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587706750	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccn2)(C(F)(F)F)N1	ZINC000587706759	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccn2)(C(F)(F)F)N1	ZINC000587706760	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccn2)(C(F)(F)F)N1	ZINC000587706761	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccn2)(C(F)(F)F)N1	ZINC000587706763	HJ	Annotated	Anodyne	
CCN(/C=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)CC	ZINC000587706811	HJ	Annotated	Anodyne	
CCN(/C=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)CC	ZINC000587706812	HJ	Annotated	Anodyne	
CCN(/C=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)CC	ZINC000587706813	HJ	Annotated	Anodyne	
CCN(/C=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)CC	ZINC000587706814	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)c3ccnc(Cl)c23)N1	ZINC000587706968	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)c3ccnc(Cl)c23)N1	ZINC000587706969	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c3ccnc(Cl)c23)N1	ZINC000587706970	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c3ccnc(Cl)c23)N1	ZINC000587706971	HJ	Annotated	Anodyne	
Cc1cccnc1C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587707004	HJ	Annotated	Anodyne	
Cc1cccnc1C[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587707005	HJ	Annotated	Anodyne	
Cc1cccnc1C[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587707006	HJ	Annotated	Anodyne	
Cc1cccnc1C[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587707007	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2N)(C(F)(F)F)N1	ZINC000587707056	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2N)(C(F)(F)F)N1	ZINC000587707057	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2N)(C(F)(F)F)N1	ZINC000587707058	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2N)(C(F)(F)F)N1	ZINC000587707059	HJ	Annotated	Anodyne	
Cc1cccnc1C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587707265	HJ	Annotated	Anodyne	
Cc1cccnc1C[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587707266	HJ	Annotated	Anodyne	
Cc1cccnc1C[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587707268	HJ	Annotated	Anodyne	
Cc1cccnc1C[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587707270	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(C)(C)C)(C(F)(F)F)N1	ZINC000587707340	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(C)(C)C)(C(F)(F)F)N1	ZINC000587707341	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(C)(C)C)(C(F)(F)F)N1	ZINC000587707342	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(C)(C)C)(C(F)(F)F)N1	ZINC000587707343	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccncc2)(C(F)(F)F)N1	ZINC000587707364	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccncc2)(C(F)(F)F)N1	ZINC000587707365	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccncc2)(C(F)(F)F)N1	ZINC000587707366	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccncc2)(C(F)(F)F)N1	ZINC000587707368	HJ	Annotated	Anodyne	
C[C@H](Br)[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587707572	HJ	Annotated	Reactive	
C[C@H](Br)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587707573	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H](C)Br)(C(F)(F)F)N1	ZINC000587707574	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H](C)Br)(C(F)(F)F)N1	ZINC000587707575	HJ	Annotated	Reactive	
Cc1nc2ccc(Cl)cn2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587707730	HJ	Annotated	Anodyne	
Cc1nc2ccc(Cl)cn2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587707731	HJ	Annotated	Anodyne	
Cc1nc2ccc(Cl)cn2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587707732	HJ	Annotated	Anodyne	
Cc1nc2ccc(Cl)cn2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587707733	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)c3ccccc3oc2=O)N1	ZINC000587707748	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)c3ccccc3oc2=O)N1	ZINC000587707752	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)c3ccccc3oc2=O)N1	ZINC000587707756	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)c3ccccc3oc2=O)N1	ZINC000587707762	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1	ZINC000587707903	HJ	Annotated	Clean	
Cc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1	ZINC000587707904	HJ	Annotated	Clean	
Cc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1	ZINC000587707905	HJ	Annotated	Clean	
Cc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1	ZINC000587707906	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2O)(C(F)(F)F)N1	ZINC000587707962	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2O)(C(F)(F)F)N1	ZINC000587707965	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2O)(C(F)(F)F)N1	ZINC000587707967	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2O)(C(F)(F)F)N1	ZINC000587707969	HJ	Annotated	Clean	
CCN(/C=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)CC	ZINC000587707976	HJ	Annotated	Anodyne	
CCN(/C=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)CC	ZINC000587707977	HJ	Annotated	Anodyne	
CCN(/C=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)CC	ZINC000587707979	HJ	Annotated	Anodyne	
CCN(/C=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)CC	ZINC000587707980	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=COc1cc(O)ccc12	ZINC000587708012	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=COc1cc(O)ccc12	ZINC000587708013	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=COc1cc(O)ccc12	ZINC000587708014	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=COc1cc(O)ccc12	ZINC000587708015	HJ	Annotated	Anodyne	
COc1ccccc1[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587708184	HJ	Annotated	Anodyne	
COc1ccccc1[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587708185	HJ	Annotated	Anodyne	
COc1ccccc1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587708186	HJ	Annotated	Anodyne	
COc1ccccc1[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587708189	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H]2CCCCC2=O)(C(F)(F)F)N1	ZINC000587708238	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H]2CCCCC2=O)(C(F)(F)F)N1	ZINC000587708240	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H]2CCCCC2=O)(C(F)(F)F)N1	ZINC000587708241	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H]2CCCCC2=O)(C(F)(F)F)N1	ZINC000587708243	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)[C@@H](F)C(F)(F)F)N1	ZINC000587708618	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(F)(F)[C@@H](F)C(F)(F)F)N1	ZINC000587708619	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)[C@H](F)C(F)(F)F)N1	ZINC000587708620	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(F)(F)[C@H](F)C(F)(F)F)N1	ZINC000587708621	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C=O)cc2)(C(F)(F)F)N1	ZINC000587708662	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C=O)cc2)(C(F)(F)F)N1	ZINC000587708663	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C=O)cc2)(C(F)(F)F)N1	ZINC000587708664	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C=O)cc2)(C(F)(F)F)N1	ZINC000587708665	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C#N)cc2)(C(F)(F)F)N1	ZINC000587708904	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C#N)cc2)(C(F)(F)F)N1	ZINC000587708905	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C#N)cc2)(C(F)(F)F)N1	ZINC000587708906	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C#N)cc2)(C(F)(F)F)N1	ZINC000587708907	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(N(C)CC(F)(F)F)CC2)N1	ZINC000587709006	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(N(C)CC(F)(F)F)CC2)N1	ZINC000587709007	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(CC(F)(F)F)s2)N1	ZINC000587709024	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(CC(F)(F)F)s2)N1	ZINC000587709025	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(CC(F)(F)F)s2)N1	ZINC000587709026	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(CC(F)(F)F)s2)N1	ZINC000587709027	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(C(F)(F)F)N1	ZINC000587709048	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(C(F)(F)F)N1	ZINC000587709049	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(C(F)(F)F)N1	ZINC000587709050	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(C(F)(F)F)N1	ZINC000587709051	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587709206	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587709207	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587709208	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587709209	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(F)(F)C(F)(F)C(F)(F)F)N1	ZINC000587709308	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(F)(F)C(F)(F)C(F)(F)F)N1	ZINC000587709309	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(F)(F)C(F)(F)C(F)(F)F)N1	ZINC000587709310	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(F)(F)C(F)(F)C(F)(F)F)N1	ZINC000587709311	HJ	Annotated	Mild	
COc1cccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587709418	HJ	Annotated	Anodyne	
COc1cccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587709419	HJ	Annotated	Anodyne	
COc1cccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587709420	HJ	Annotated	Anodyne	
COc1cccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587709421	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)C(F)(F)F)cc2)N1	ZINC000587709446	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)C(F)(F)F)cc2)N1	ZINC000587709456	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)C(F)(F)F)cc2)N1	ZINC000587709457	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)C(F)(F)F)cc2)N1	ZINC000587709458	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)cc2N)N1	ZINC000587709612	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)cc2N)N1	ZINC000587709616	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)cc2N)N1	ZINC000587709618	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)cc2N)N1	ZINC000587709619	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(C(F)(F)F)c2)N1	ZINC000587709653	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(C(F)(F)F)c2)N1	ZINC000587709654	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(C(F)(F)F)c2)N1	ZINC000587709655	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(C(F)(F)F)c2)N1	ZINC000587709656	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(F)(F)F)c2O)N1	ZINC000587709715	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(F)(F)F)c2O)N1	ZINC000587709719	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(F)(F)F)c2O)N1	ZINC000587709721	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(F)(F)F)c2O)N1	ZINC000587709724	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccc2C(F)(F)F)N1	ZINC000587709766	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccc2C(F)(F)F)N1	ZINC000587709773	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2C(F)(F)F)N1	ZINC000587709774	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2C(F)(F)F)N1	ZINC000587709776	HJ	Annotated	Anodyne	
CC(C)n1cc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587709966	HJ	Annotated	Anodyne	
CC(C)n1cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587709968	HJ	Annotated	Anodyne	
CC(C)n1cc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587709970	HJ	Annotated	Anodyne	
CC(C)n1cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587709972	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(C#N)c2)(C(F)(F)F)N1	ZINC000587710010	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(C#N)c2)(C(F)(F)F)N1	ZINC000587710011	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(C#N)c2)(C(F)(F)F)N1	ZINC000587710013	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(C#N)c2)(C(F)(F)F)N1	ZINC000587710015	HJ	Annotated	Mild	
Cc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587710033	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587710036	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587710038	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587710041	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587710110	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587710113	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587710116	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587710118	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)C(F)(F)F)cc2)N1	ZINC000587710252	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)C(F)(F)F)cc2)N1	ZINC000587710253	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)C(F)(F)F)cc2)N1	ZINC000587710254	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)C(F)(F)F)cc2)N1	ZINC000587710255	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2C(=O)C(F)(F)F)N1	ZINC000587710377	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2C(=O)C(F)(F)F)N1	ZINC000587710378	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2C(=O)C(F)(F)F)N1	ZINC000587710379	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2C(=O)C(F)(F)F)N1	ZINC000587710380	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(F)(F)[C@@H](F)C(F)(F)F)N1	ZINC000587710588	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(F)(F)[C@@H](F)C(F)(F)F)N1	ZINC000587710589	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(F)(F)[C@H](F)C(F)(F)F)N1	ZINC000587710590	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(F)(F)[C@H](F)C(F)(F)F)N1	ZINC000587710591	HJ	Annotated	Mild	
COc1cccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587710604	HJ	Annotated	Anodyne	
COc1cccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587710605	HJ	Annotated	Anodyne	
COc1cccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587710606	HJ	Annotated	Anodyne	
COc1cccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587710607	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(F)(F)F)c2O)N1	ZINC000587710710	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(F)(F)F)c2O)N1	ZINC000587710711	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(F)(F)F)c2O)N1	ZINC000587710712	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(F)(F)F)c2O)N1	ZINC000587710713	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)nc2O)N1	ZINC000587710802	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)nc2O)N1	ZINC000587710803	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)nc2O)N1	ZINC000587710804	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)nc2O)N1	ZINC000587710805	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(C#N)c2)(C(F)(F)F)N1	ZINC000587710864	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(C#N)c2)(C(F)(F)F)N1	ZINC000587710865	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(C#N)c2)(C(F)(F)F)N1	ZINC000587710866	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(C#N)c2)(C(F)(F)F)N1	ZINC000587710867	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C#N)(c2ccc(C(F)(F)F)cc2)N1	ZINC000587711044	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C#N)(c2ccc(C(F)(F)F)cc2)N1	ZINC000587711045	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C#N)(c2ccc(C(F)(F)F)cc2)N1	ZINC000587711046	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C#N)(c2ccc(C(F)(F)F)cc2)N1	ZINC000587711047	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N)cc2)(C(F)(F)F)N1	ZINC000587711062	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N)cc2)(C(F)(F)F)N1	ZINC000587711064	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N)cc2)(C(F)(F)F)N1	ZINC000587711066	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N)cc2)(C(F)(F)F)N1	ZINC000587711068	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N)cc2)(C(F)(F)F)N1	ZINC000587711083	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N)cc2)(C(F)(F)F)N1	ZINC000587711085	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N)cc2)(C(F)(F)F)N1	ZINC000587711087	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N)cc2)(C(F)(F)F)N1	ZINC000587711088	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(F)(F)C(F)(F)C(F)(F)F)N1	ZINC000587711154	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(F)(F)C(F)(F)C(F)(F)F)N1	ZINC000587711156	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(F)(F)C(F)(F)C(F)(F)F)N1	ZINC000587711158	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(F)(F)C(F)(F)C(F)(F)F)N1	ZINC000587711159	HJ	Annotated	Mild	
CC(C)n1cc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587711173	HJ	Annotated	Anodyne	
CC(C)n1cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587711174	HJ	Annotated	Anodyne	
CC(C)n1cc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587711175	HJ	Annotated	Anodyne	
CC(C)n1cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587711176	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(N(C)CC(F)(F)F)CC2)N1	ZINC000587711213	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(N(C)CC(F)(F)F)CC2)N1	ZINC000587711215	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C#N)cc2)(C(F)(F)F)N1	ZINC000587711224	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C#N)cc2)(C(F)(F)F)N1	ZINC000587711226	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C#N)cc2)(C(F)(F)F)N1	ZINC000587711228	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C#N)cc2)(C(F)(F)F)N1	ZINC000587711229	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(C(F)(F)F)c2)N1	ZINC000587711298	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(C(F)(F)F)c2)N1	ZINC000587711299	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(C(F)(F)F)c2)N1	ZINC000587711300	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(C(F)(F)F)c2)N1	ZINC000587711301	HJ	Annotated	Anodyne	
Cc1nc(C(F)(F)F)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587711444	HJ	Annotated	Anodyne	
Cc1nc(C(F)(F)F)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587711446	HJ	Annotated	Anodyne	
Cc1nc(C(F)(F)F)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587711448	HJ	Annotated	Anodyne	
Cc1nc(C(F)(F)F)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587711450	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccc2C(F)(F)F)N1	ZINC000587711457	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccc2C(F)(F)F)N1	ZINC000587711458	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2C(F)(F)F)N1	ZINC000587711460	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2C(F)(F)F)N1	ZINC000587711462	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COCC(F)(F)F)o2)N1	ZINC000587711472	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COCC(F)(F)F)o2)N1	ZINC000587711479	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COCC(F)(F)F)o2)N1	ZINC000587711481	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COCC(F)(F)F)o2)N1	ZINC000587711482	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2C(F)(F)F)N1	ZINC000587711495	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2C(F)(F)F)N1	ZINC000587711496	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2C(F)(F)F)N1	ZINC000587711498	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2C(F)(F)F)N1	ZINC000587711499	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(C(F)(F)F)c2)N1	ZINC000587711527	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(C(F)(F)F)c2)N1	ZINC000587711528	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(C(F)(F)F)c2)N1	ZINC000587711529	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(C(F)(F)F)c2)N1	ZINC000587711530	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)nc2)N1	ZINC000587711537	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)nc2)N1	ZINC000587711539	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)nc2)N1	ZINC000587711540	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)nc2)N1	ZINC000587711541	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(C(F)(F)F)c2)N1	ZINC000587711586	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(C(F)(F)F)c2)N1	ZINC000587711588	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(C(F)(F)F)c2)N1	ZINC000587711589	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(C(F)(F)F)c2)N1	ZINC000587711590	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C=O)cc2)(C(F)(F)F)N1	ZINC000587711646	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C=O)cc2)(C(F)(F)F)N1	ZINC000587711647	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C=O)cc2)(C(F)(F)F)N1	ZINC000587711648	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C=O)cc2)(C(F)(F)F)N1	ZINC000587711649	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2C(=O)C(F)(F)F)N1	ZINC000587711936	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2C(=O)C(F)(F)F)N1	ZINC000587711937	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2C(=O)C(F)(F)F)N1	ZINC000587711938	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2C(=O)C(F)(F)F)N1	ZINC000587711939	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(C(F)(F)F)N1	ZINC000587712000	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(C(F)(F)F)N1	ZINC000587712001	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(O)cc2)(C(F)(F)F)N1	ZINC000587712002	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(O)cc2)(C(F)(F)F)N1	ZINC000587712003	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(CC(F)(F)F)s2)N1	ZINC000587712008	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(CC(F)(F)F)s2)N1	ZINC000587712009	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(CC(F)(F)F)s2)N1	ZINC000587712010	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(CC(F)(F)F)s2)N1	ZINC000587712011	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H]2CCCCC2=O)(C(F)(F)F)N1	ZINC000587712016	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H]2CCCCC2=O)(C(F)(F)F)N1	ZINC000587712017	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H]2CCCCC2=O)(C(F)(F)F)N1	ZINC000587712018	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H]2CCCCC2=O)(C(F)(F)F)N1	ZINC000587712019	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2C(F)(F)F)N1	ZINC000587712072	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2C(F)(F)F)N1	ZINC000587712073	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2C(F)(F)F)N1	ZINC000587712074	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2C(F)(F)F)N1	ZINC000587712075	HJ	Annotated	Anodyne	
Cc1nc(C(F)(F)F)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587712163	HJ	Annotated	Anodyne	
Cc1nc(C(F)(F)F)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587712166	HJ	Annotated	Anodyne	
Cc1nc(C(F)(F)F)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587712169	HJ	Annotated	Anodyne	
Cc1nc(C(F)(F)F)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587712172	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587712198	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587712200	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587712201	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587712202	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc(C(F)(F)F)cs2)N1	ZINC000587712242	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc(C(F)(F)F)cs2)N1	ZINC000587712243	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc(C(F)(F)F)cs2)N1	ZINC000587712244	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc(C(F)(F)F)cs2)N1	ZINC000587712245	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)nc2O)N1	ZINC000587712246	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)nc2O)N1	ZINC000587712247	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)nc2O)N1	ZINC000587712248	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)nc2O)N1	ZINC000587712249	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COCC(F)(F)F)o2)N1	ZINC000587712378	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COCC(F)(F)F)o2)N1	ZINC000587712379	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COCC(F)(F)F)o2)N1	ZINC000587712380	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COCC(F)(F)F)o2)N1	ZINC000587712381	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)n2C)N1	ZINC000587712513	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)n2C)N1	ZINC000587712515	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)n2C)N1	ZINC000587712517	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)n2C)N1	ZINC000587712518	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])c(F)cc2Cl)N1	ZINC000587712721	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])c(F)cc2Cl)N1	ZINC000587712727	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])c(F)cc2Cl)N1	ZINC000587712729	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])c(F)cc2Cl)N1	ZINC000587712731	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])c(F)cc2Cl)N1	ZINC000587712734	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])c(F)cc2Cl)N1	ZINC000587712736	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])c(F)cc2Cl)N1	ZINC000587712738	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])c(F)cc2Cl)N1	ZINC000587712740	HJ	Annotated	Bother	
CC[C@@]1(c2cc(C(=O)O)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587712903	HJ	Annotated	Anodyne	
CC[C@]1(c2cc(C(=O)O)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587712914	HJ	Annotated	Anodyne	
CC[C@@]1(c2cc(C(=O)O)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587712918	HJ	Annotated	Anodyne	
CC[C@]1(c2cc(C(=O)O)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587712920	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc(C(F)(F)F)cs2)N1	ZINC000587713032	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc(C(F)(F)F)cs2)N1	ZINC000587713033	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc(C(F)(F)F)cs2)N1	ZINC000587713034	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc(C(F)(F)F)cs2)N1	ZINC000587713035	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)cc2O)N1	ZINC000587713100	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)cc2O)N1	ZINC000587713101	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)cc2O)N1	ZINC000587713102	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)cc2O)N1	ZINC000587713103	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(F)(F)F)nc2)N1	ZINC000587713656	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(F)(F)F)nc2)N1	ZINC000587713659	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(F)(F)F)nc2)N1	ZINC000587713662	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(F)(F)F)nc2)N1	ZINC000587713665	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(F)(F)F)nc2)N1	ZINC000587713740	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(F)(F)F)nc2)N1	ZINC000587713744	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(F)(F)F)nc2)N1	ZINC000587713747	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(F)(F)F)nc2)N1	ZINC000587713751	HJ	Annotated	Anodyne	
Cc1sc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1C(F)(F)F	ZINC000587713789	HJ	Annotated	Anodyne	
Cc1sc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1C(F)(F)F	ZINC000587713790	HJ	Annotated	Anodyne	
Cc1sc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1C(F)(F)F	ZINC000587713791	HJ	Annotated	Anodyne	
Cc1sc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1C(F)(F)F	ZINC000587713792	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)n2C)N1	ZINC000587713807	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)n2C)N1	ZINC000587713809	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)n2C)N1	ZINC000587713812	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)n2C)N1	ZINC000587713815	HJ	Annotated	Anodyne	
COc1ccc(OC(F)F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587713979	HJ	Annotated	Anodyne	
COc1ccc(OC(F)F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587713980	HJ	Annotated	Anodyne	
COc1ccc(OC(F)F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587713981	HJ	Annotated	Anodyne	
COc1ccc(OC(F)F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587713982	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)c(O)c2)N1	ZINC000587714053	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)c(O)c2)N1	ZINC000587714054	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)F)c(O)c2)N1	ZINC000587714055	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)F)c(O)c2)N1	ZINC000587714056	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(F)F)cc2)N1	ZINC000587714065	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(F)F)cc2)N1	ZINC000587714066	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(F)F)cc2)N1	ZINC000587714067	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(F)F)cc2)N1	ZINC000587714068	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)cn2)N1	ZINC000587714200	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)cn2)N1	ZINC000587714201	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)cn2)N1	ZINC000587714202	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)cn2)N1	ZINC000587714203	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)cn2)N1	ZINC000587714351	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)cn2)N1	ZINC000587714353	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)cn2)N1	ZINC000587714355	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)cn2)N1	ZINC000587714356	HJ	Annotated	Anodyne	
Cc1ccc(OC(F)F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587714527	HJ	Annotated	Anodyne	
Cc1ccc(OC(F)F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587714539	HJ	Annotated	Anodyne	
Cc1ccc(OC(F)F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587714541	HJ	Annotated	Anodyne	
Cc1ccc(OC(F)F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587714543	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)cc2N)N1	ZINC000587714605	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)cc2N)N1	ZINC000587714606	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)cc2N)N1	ZINC000587714608	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)cc2N)N1	ZINC000587714610	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)F)c(F)c2)N1	ZINC000587714820	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)F)c(F)c2)N1	ZINC000587714823	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)F)c(F)c2)N1	ZINC000587714826	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)F)c(F)c2)N1	ZINC000587714829	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)nc2)N1	ZINC000587715025	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)nc2)N1	ZINC000587715026	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)nc2)N1	ZINC000587715027	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)nc2)N1	ZINC000587715028	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2-n2cccn2)N1	ZINC000587715266	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2-n2cccn2)N1	ZINC000587715275	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2-n2cccn2)N1	ZINC000587715278	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2-n2cccn2)N1	ZINC000587715281	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2N2CCCC2)N1	ZINC000587715307	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2N2CCCC2)N1	ZINC000587715308	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2N2CCCC2)N1	ZINC000587715309	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2N2CCCC2)N1	ZINC000587715311	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2OC(F)F)N1	ZINC000587715555	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2OC(F)F)N1	ZINC000587715556	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2OC(F)F)N1	ZINC000587715557	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2OC(F)F)N1	ZINC000587715558	HJ	Annotated	Anodyne	
CCCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)n1	ZINC000587715629	HJ	Annotated	Anodyne	
CCCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)n1	ZINC000587715641	HJ	Annotated	Anodyne	
CCCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)n1	ZINC000587715644	HJ	Annotated	Anodyne	
CCCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)n1	ZINC000587715649	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)cc2O)N1	ZINC000587715947	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)cc2O)N1	ZINC000587715948	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)cc2O)N1	ZINC000587715949	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)cc2O)N1	ZINC000587715950	HJ	Annotated	Clean	
COC(OC)c1ccc(F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587716000	HJ	Annotated	Anodyne	
COC(OC)c1ccc(F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587716005	HJ	Annotated	Anodyne	
COC(OC)c1ccc(F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587716006	HJ	Annotated	Anodyne	
COC(OC)c1ccc(F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587716007	HJ	Annotated	Anodyne	
COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC(F)F)c1	ZINC000587716115	HJ	Annotated	Anodyne	
COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC(F)F)c1	ZINC000587716117	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC(F)F)c1	ZINC000587716120	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC(F)F)c1	ZINC000587716122	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(F)F)cc2)N1	ZINC000587716162	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(F)F)cc2)N1	ZINC000587716164	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(F)F)cc2)N1	ZINC000587716166	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(F)F)cc2)N1	ZINC000587716167	HJ	Annotated	Anodyne	
CC[C@]1(c2cc(F)c(O)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587716205	HJ	Annotated	Anodyne	
CC[C@@]1(c2cc(F)c(O)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587716207	HJ	Annotated	Anodyne	
CC[C@]1(c2cc(F)c(O)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587716209	HJ	Annotated	Anodyne	
CC[C@@]1(c2cc(F)c(O)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587716211	HJ	Annotated	Anodyne	
CC[C@]1(c2cc(C(=O)O)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587716698	HJ	Annotated	Anodyne	
CC[C@@]1(c2cc(C(=O)O)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587716702	HJ	Annotated	Anodyne	
CC[C@]1(c2cc(C(=O)O)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587716706	HJ	Annotated	Anodyne	
CC[C@@]1(c2cc(C(=O)O)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587716710	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COC(F)(F)F)(c2ccccc2)N1	ZINC000587716754	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COC(F)(F)F)(c2ccccc2)N1	ZINC000587716759	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](COC(F)(F)F)(c2ccccc2)N1	ZINC000587716763	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COC(F)(F)F)(c2ccccc2)N1	ZINC000587716766	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccs2)(C(F)F)N1	ZINC000587716787	HJ	Annotated	Anodyne	
CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1F	ZINC000587716790	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(N3CCCC3)c2)N1	ZINC000587716792	HJ	Annotated	Anodyne	
CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1F	ZINC000587716796	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(N3CCCC3)c2)N1	ZINC000587716797	HJ	Annotated	Anodyne	
CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1F	ZINC000587716799	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(N3CCCC3)c2)N1	ZINC000587716800	HJ	Annotated	Anodyne	
CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1F	ZINC000587716801	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(N3CCCC3)c2)N1	ZINC000587716804	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccs2)(C(F)F)N1	ZINC000587716811	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccs2)(C(F)F)N1	ZINC000587716817	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccs2)(C(F)F)N1	ZINC000587716824	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(OC(F)F)c2)N1	ZINC000587717079	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(OC(F)F)c2)N1	ZINC000587717083	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(OC(F)F)c2)N1	ZINC000587717087	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)c(F)c(C=O)c(F)c2F)N1	ZINC000587717088	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(OC(F)F)c2)N1	ZINC000587717091	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(C(F)F)N1	ZINC000587717093	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(C(F)F)N1	ZINC000587717095	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(C(F)F)N1	ZINC000587717097	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)c(F)c(C=O)c(F)c2F)N1	ZINC000587717099	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(C(F)F)N1	ZINC000587717100	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)c(F)c(C=O)c(F)c2F)N1	ZINC000587717103	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)c(F)c(C=O)c(F)c2F)N1	ZINC000587717107	HJ	Annotated	Anodyne	
COc1c(F)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F	ZINC000587717111	HJ	Annotated	Anodyne	
COc1c(F)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F	ZINC000587717122	HJ	Annotated	Anodyne	
COc1c(F)cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F	ZINC000587717127	HJ	Annotated	Anodyne	
COc1c(F)cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F	ZINC000587717135	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(F)ccc2F)N1	ZINC000587717340	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(F)ccc2F)N1	ZINC000587717346	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(F)ccc2F)N1	ZINC000587717353	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(F)ccc2F)N1	ZINC000587717359	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2ccccc2)N1	ZINC000587717468	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2ccccc2)N1	ZINC000587717476	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2ccccc2)N1	ZINC000587717480	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2ccccc2)N1	ZINC000587717484	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC(F)F)cc2)N1	ZINC000587717623	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC(F)F)cc2)N1	ZINC000587717627	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC(F)F)cc2)N1	ZINC000587717629	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2N2CCCC2)N1	ZINC000587717630	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC(F)F)cc2)N1	ZINC000587717632	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2N2CCCC2)N1	ZINC000587717633	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2N2CCCC2)N1	ZINC000587717635	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2N2CCCC2)N1	ZINC000587717639	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(F)(F)F)c2O)N1	ZINC000587717824	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(F)(F)F)c2O)N1	ZINC000587717825	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(F)(F)F)c2O)N1	ZINC000587717826	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(F)(F)F)c2O)N1	ZINC000587717828	HJ	Annotated	Clean	
CCCn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)n1	ZINC000587717863	HJ	Annotated	Anodyne	
CCCn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)n1	ZINC000587717864	HJ	Annotated	Anodyne	
CCCn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)n1	ZINC000587717865	HJ	Annotated	Anodyne	
CCCn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)n1	ZINC000587717866	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(C(F)F)N1	ZINC000587717897	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(C(F)F)N1	ZINC000587717899	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(C(F)F)N1	ZINC000587717902	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(C(F)F)N1	ZINC000587717904	HJ	Annotated	Anodyne	
COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC(F)F	ZINC000587717969	HJ	Annotated	Anodyne	
COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC(F)F	ZINC000587717974	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC(F)F	ZINC000587717979	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC(F)F	ZINC000587717983	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(F)c(F)c2F)N1	ZINC000587718116	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(F)c(F)c2F)N1	ZINC000587718137	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(F)c(F)c2F)N1	ZINC000587718140	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(F)c(F)c2F)N1	ZINC000587718144	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C#N)(c2ccc(C(F)(F)F)cc2)N1	ZINC000587718164	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C#N)(c2ccc(C(F)(F)F)cc2)N1	ZINC000587718166	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C#N)(c2ccc(C(F)(F)F)cc2)N1	ZINC000587718168	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C#N)(c2ccc(C(F)(F)F)cc2)N1	ZINC000587718172	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OC(F)(F)F)ccc2O)N1	ZINC000587718266	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OC(F)(F)F)ccc2O)N1	ZINC000587718268	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OC(F)(F)F)ccc2O)N1	ZINC000587718270	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OC(F)(F)F)ccc2O)N1	ZINC000587718271	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)OC(F)(F)O3)N1	ZINC000587718355	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)OC(F)(F)O3)N1	ZINC000587718380	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(C=C(C(F)F)OC(C(F)F)=C2)N1	ZINC000587718381	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)OC(F)(F)O3)N1	ZINC000587718382	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)OC(F)(F)O3)N1	ZINC000587718383	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(C=C(C(F)F)OC(C(F)F)=C2)N1	ZINC000587718395	HJ	Annotated	Anodyne	
Cc1sc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1C(F)(F)F	ZINC000587718473	HJ	Annotated	Anodyne	
Cc1sc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1C(F)(F)F	ZINC000587718474	HJ	Annotated	Anodyne	
Cc1sc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1C(F)(F)F	ZINC000587718475	HJ	Annotated	Anodyne	
Cc1sc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1C(F)(F)F	ZINC000587718476	HJ	Annotated	Anodyne	
COC(OC)c1ccc(F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587718565	HJ	Annotated	Anodyne	
COC(OC)c1ccc(F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587718567	HJ	Annotated	Anodyne	
COC(OC)c1ccc(F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587718569	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCC(F)F)c2)N1	ZINC000587718570	HJ	Annotated	Anodyne	
COC(OC)c1ccc(F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587718572	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCC(F)F)c2)N1	ZINC000587718573	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCC(F)F)c2)N1	ZINC000587718577	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCC(F)F)c2)N1	ZINC000587718581	HJ	Annotated	Anodyne	
Cc1ccc(OC(F)F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587718599	HJ	Annotated	Anodyne	
Cc1ccc(OC(F)F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587718601	HJ	Annotated	Anodyne	
Cc1ccc(OC(F)F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587718602	HJ	Annotated	Anodyne	
Cc1ccc(OC(F)F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587718603	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(F)F)N1	ZINC000587718924	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(F)F)N1	ZINC000587718925	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(F)F)N1	ZINC000587718927	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(F)F)N1	ZINC000587718929	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2c(F)cccc2F)N1	ZINC000587719044	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2c(F)cccc2F)N1	ZINC000587719047	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2c(F)cccc2F)N1	ZINC000587719049	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2c(F)cccc2F)N1	ZINC000587719052	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2OC(F)F)N1	ZINC000587719072	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2OC(F)F)N1	ZINC000587719075	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2OC(F)F)N1	ZINC000587719078	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2OC(F)F)N1	ZINC000587719081	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)cccc2-n2cccn2)N1	ZINC000587719116	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)cccc2-n2cccn2)N1	ZINC000587719128	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cccc2-n2cccn2)N1	ZINC000587719132	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cccc2-n2cccn2)N1	ZINC000587719137	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(C=C(C(F)F)OC(C(F)F)=C2)N1	ZINC000587719290	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(C=C(C(F)F)OC(C(F)F)=C2)N1	ZINC000587719294	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)OC(F)(F)O3)N1	ZINC000587719600	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)OC(F)(F)O3)N1	ZINC000587719603	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)OC(F)(F)O3)N1	ZINC000587719607	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)OC(F)(F)O3)N1	ZINC000587719611	HJ	Annotated	Anodyne	
COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC(F)F	ZINC000587719636	HJ	Annotated	Anodyne	
COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC(F)F	ZINC000587719639	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC(F)F	ZINC000587719642	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2-n2cccn2)N1	ZINC000587719643	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC(F)F	ZINC000587719645	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2-n2cccn2)N1	ZINC000587719647	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(F)F)N1	ZINC000587719649	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(F)F)N1	ZINC000587719652	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2-n2cccn2)N1	ZINC000587719653	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(F)F)N1	ZINC000587719656	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(F)F)N1	ZINC000587719659	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2-n2cccn2)N1	ZINC000587719660	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2OC(F)F)N1	ZINC000587719678	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2OC(F)F)N1	ZINC000587719682	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2OC(F)F)N1	ZINC000587719685	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2OC(F)F)N1	ZINC000587719689	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(N3CCCC3)c2)N1	ZINC000587720052	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(N3CCCC3)c2)N1	ZINC000587720053	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(N3CCCC3)c2)N1	ZINC000587720054	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(N3CCCC3)c2)N1	ZINC000587720056	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)cc2F)N1	ZINC000587720113	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)cc2F)N1	ZINC000587720116	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)F)cc2F)N1	ZINC000587720119	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)F)cc2F)N1	ZINC000587720122	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)F)nn(C)c2Cl)N1	ZINC000587720144	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)F)nn(C)c2Cl)N1	ZINC000587720149	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)F)nn(C)c2Cl)N1	ZINC000587720151	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)F)nn(C)c2Cl)N1	ZINC000587720154	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)F)c(O)c2)N1	ZINC000587720181	HJ	Annotated	Anodyne	
CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1F	ZINC000587720182	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)F)c(O)c2)N1	ZINC000587720184	HJ	Annotated	Anodyne	
CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1F	ZINC000587720185	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)F)c(O)c2)N1	ZINC000587720186	HJ	Annotated	Anodyne	
CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1F	ZINC000587720188	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)F)c(O)c2)N1	ZINC000587720189	HJ	Annotated	Anodyne	
CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1F	ZINC000587720192	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2cccs2)N1	ZINC000587720255	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2cccs2)N1	ZINC000587720257	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2cccs2)N1	ZINC000587720259	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2cccs2)N1	ZINC000587720262	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OC(F)F)c2)N1	ZINC000587720342	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OC(F)F)c2)N1	ZINC000587720344	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OC(F)F)c2)N1	ZINC000587720346	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OC(F)F)c2)N1	ZINC000587720348	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC(F)F)cc2)N1	ZINC000587720793	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC(F)F)cc2)N1	ZINC000587720794	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC(F)F)cc2)N1	ZINC000587720796	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC(F)F)cc2)N1	ZINC000587720797	HJ	Annotated	Anodyne	
COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F	ZINC000587720830	HJ	Annotated	Anodyne	
COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F	ZINC000587720833	HJ	Annotated	Anodyne	
COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F	ZINC000587720835	HJ	Annotated	Anodyne	
COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F	ZINC000587720838	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2cccs2)N1	ZINC000587720863	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2cccs2)N1	ZINC000587720864	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2cccs2)N1	ZINC000587720865	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2cccs2)N1	ZINC000587720866	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2OC(F)(F)F)N1	ZINC000587720917	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2OC(F)(F)F)N1	ZINC000587720918	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(F)ccc2F)N1	ZINC000587720995	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(F)ccc2F)N1	ZINC000587720997	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(F)ccc2F)N1	ZINC000587721000	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(F)ccc2F)N1	ZINC000587721002	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OC(F)F)c2)N1	ZINC000587721047	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OC(F)F)c2)N1	ZINC000587721049	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OC(F)F)c2)N1	ZINC000587721050	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OC(F)F)c2)N1	ZINC000587721051	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCC(F)F)c2)N1	ZINC000587721121	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCC(F)F)c2)N1	ZINC000587721123	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCC(F)F)c2)N1	ZINC000587721125	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCC(F)F)c2)N1	ZINC000587721127	HJ	Annotated	Anodyne	
COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F	ZINC000587721170	HJ	Annotated	Anodyne	
COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F	ZINC000587721173	HJ	Annotated	Anodyne	
COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F	ZINC000587721175	HJ	Annotated	Anodyne	
COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F	ZINC000587721177	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)OC(F)(F)O3)N1	ZINC000587721180	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)OC(F)(F)O3)N1	ZINC000587721183	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)OC(F)(F)O3)N1	ZINC000587721187	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)OC(F)(F)O3)N1	ZINC000587721189	HJ	Annotated	Anodyne	
COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F	ZINC000587721216	HJ	Annotated	Anodyne	
COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F	ZINC000587721218	HJ	Annotated	Anodyne	
COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F	ZINC000587721220	HJ	Annotated	Anodyne	
COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F	ZINC000587721222	HJ	Annotated	Anodyne	
COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC(F)F)c1	ZINC000587721242	HJ	Annotated	Anodyne	
COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC(F)F)c1	ZINC000587721244	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC(F)F)c1	ZINC000587721246	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC(F)F)c1	ZINC000587721248	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2OC(F)(F)F)N1	ZINC000587721319	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2OC(F)(F)F)N1	ZINC000587721320	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(OC(F)(F)F)c2)N1	ZINC000587721337	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(OC(F)(F)F)c2)N1	ZINC000587721338	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(OC(F)(F)F)c2)N1	ZINC000587721339	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(OC(F)(F)F)c2)N1	ZINC000587721340	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OC(F)(F)F)ccc2O)N1	ZINC000587721373	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OC(F)(F)F)ccc2O)N1	ZINC000587721374	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OC(F)(F)F)ccc2O)N1	ZINC000587721375	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OC(F)(F)F)ccc2O)N1	ZINC000587721376	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)([C@@H](F)C#N)N1	ZINC000587721381	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)([C@H](F)C#N)N1	ZINC000587721382	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)([C@H](F)C#N)N1	ZINC000587721383	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)([C@@H](F)C#N)N1	ZINC000587721384	HJ	Annotated	Mild	
COc1ccc(OC(F)F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587721714	HJ	Annotated	Anodyne	
COc1ccc(OC(F)F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587721716	HJ	Annotated	Anodyne	
COc1ccc(OC(F)F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587721718	HJ	Annotated	Anodyne	
COc1ccc(OC(F)F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587721720	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)F)cc2F)N1	ZINC000587721765	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)F)cc2F)N1	ZINC000587721766	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)F)cc2F)N1	ZINC000587721767	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)F)cc2F)N1	ZINC000587721768	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnc(C(F)(F)F)c2)N1	ZINC000587721876	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnc(C(F)(F)F)c2)N1	ZINC000587721877	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnc(C(F)(F)F)c2)N1	ZINC000587721878	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnc(C(F)(F)F)c2)N1	ZINC000587721879	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COC(F)(F)F)(c2ccccc2)N1	ZINC000587721896	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COC(F)(F)F)(c2ccccc2)N1	ZINC000587721897	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](COC(F)(F)F)(c2ccccc2)N1	ZINC000587721898	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COC(F)(F)F)(c2ccccc2)N1	ZINC000587721899	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)c(F)c2)N1	ZINC000587722082	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)c(F)c2)N1	ZINC000587722083	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)F)c(F)c2)N1	ZINC000587722084	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)F)c(F)c2)N1	ZINC000587722085	HJ	Annotated	Anodyne	
COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F	ZINC000587722103	HJ	Annotated	Anodyne	
COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F	ZINC000587722105	HJ	Annotated	Anodyne	
COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F	ZINC000587722107	HJ	Annotated	Anodyne	
COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F	ZINC000587722110	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cccc2-n2cccn2)N1	ZINC000587722120	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cccc2-n2cccn2)N1	ZINC000587722121	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cccc2-n2cccn2)N1	ZINC000587722122	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cccc2-n2cccn2)N1	ZINC000587722123	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(F)c(F)c2F)N1	ZINC000587722136	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(F)c(F)c2F)N1	ZINC000587722137	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(F)c(F)c2F)N1	ZINC000587722138	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(F)c(F)c2F)N1	ZINC000587722139	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(Cl)cc2O)N1	ZINC000587722378	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(Cl)cc2O)N1	ZINC000587722379	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(Cl)cc2O)N1	ZINC000587722380	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(Cl)cc2O)N1	ZINC000587722381	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)F)nn(C)c2Cl)N1	ZINC000587722482	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)F)nn(C)c2Cl)N1	ZINC000587722483	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)F)nn(C)c2Cl)N1	ZINC000587722484	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)F)nn(C)c2Cl)N1	ZINC000587722485	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cccc2-n2ccnc2)N1	ZINC000587722534	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cccc2-n2ccnc2)N1	ZINC000587722535	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cccc2-n2ccnc2)N1	ZINC000587722536	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cccc2-n2ccnc2)N1	ZINC000587722537	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)cccc2-n2ccnc2)N1	ZINC000587722556	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)cccc2-n2ccnc2)N1	ZINC000587722557	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cccc2-n2ccnc2)N1	ZINC000587722558	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cccc2-n2ccnc2)N1	ZINC000587722559	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(Cl)cc2O)N1	ZINC000587722618	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(Cl)cc2O)N1	ZINC000587722619	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(Cl)cc2O)N1	ZINC000587722620	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(Cl)cc2O)N1	ZINC000587722621	HJ	Annotated	Clean	
COc1cc(F)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587722685	HJ	Annotated	Anodyne	
COc1cc(F)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587722690	HJ	Annotated	Anodyne	
COc1cc(F)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587722694	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2OC(F)F)N1	ZINC000587722696	HJ	Annotated	Anodyne	
COc1cc(F)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587722697	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2OC(F)F)N1	ZINC000587722699	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2OC(F)F)N1	ZINC000587722702	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2OC(F)F)N1	ZINC000587722705	HJ	Annotated	Anodyne	
COc1cc(F)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587722712	HJ	Annotated	Anodyne	
COc1cc(F)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587722714	HJ	Annotated	Anodyne	
COc1cc(F)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587722716	HJ	Annotated	Anodyne	
COc1cc(F)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587722718	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(OC(F)F)c2)N1	ZINC000587722723	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(OC(F)F)c2)N1	ZINC000587722725	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(OC(F)F)c2)N1	ZINC000587722727	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(OC(F)F)c2)N1	ZINC000587722729	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccs2)(C(F)F)N1	ZINC000587722785	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccs2)(C(F)F)N1	ZINC000587722786	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccs2)(C(F)F)N1	ZINC000587722789	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccs2)(C(F)F)N1	ZINC000587722790	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2ccccc2)N1	ZINC000587722880	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2ccccc2)N1	ZINC000587722881	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2ccccc2)N1	ZINC000587722882	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2ccccc2)N1	ZINC000587722883	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)c(F)c(C=O)c(F)c2F)N1	ZINC000587722888	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)c(F)c(C=O)c(F)c2F)N1	ZINC000587722889	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)c(F)c(C=O)c(F)c2F)N1	ZINC000587722890	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)c(F)c(C=O)c(F)c2F)N1	ZINC000587722891	HJ	Annotated	Anodyne	
CC[C@]1(c2cc(F)c(O)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587722892	HJ	Annotated	Anodyne	
CC[C@@]1(c2cc(F)c(O)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587722893	HJ	Annotated	Anodyne	
CC[C@]1(c2cc(F)c(O)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587722894	HJ	Annotated	Anodyne	
CC[C@@]1(c2cc(F)c(O)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587722895	HJ	Annotated	Anodyne	
COc1c(F)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F	ZINC000587722916	HJ	Annotated	Anodyne	
COc1c(F)cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F	ZINC000587722917	HJ	Annotated	Anodyne	
COc1c(F)cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F	ZINC000587722918	HJ	Annotated	Anodyne	
COc1c(F)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F	ZINC000587722919	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2OC(F)(F)O3)N1	ZINC000587722972	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2OC(F)(F)O3)N1	ZINC000587722973	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2OC(F)(F)O3)N1	ZINC000587722974	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2OC(F)(F)O3)N1	ZINC000587722975	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3c2OC(F)(F)O3)N1	ZINC000587723124	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3c2OC(F)(F)O3)N1	ZINC000587723125	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3c2OC(F)(F)O3)N1	ZINC000587723126	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3c2OC(F)(F)O3)N1	ZINC000587723127	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(F)(F)F)c2O)N1	ZINC000587723188	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(F)(F)F)c2O)N1	ZINC000587723189	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(F)(F)F)c2O)N1	ZINC000587723190	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(F)(F)F)c2O)N1	ZINC000587723191	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2OC(F)(F)O3)N1	ZINC000587723312	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2OC(F)(F)O3)N1	ZINC000587723313	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2OC(F)(F)O3)N1	ZINC000587723314	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2OC(F)(F)O3)N1	ZINC000587723315	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)OC(F)(F)O3)N1	ZINC000587723340	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)OC(F)(F)O3)N1	ZINC000587723341	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)OC(F)(F)O3)N1	ZINC000587723342	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)OC(F)(F)O3)N1	ZINC000587723343	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)c(F)c(F)c(F)c2F)N1	ZINC000587723352	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)c(F)c(F)c(F)c2F)N1	ZINC000587723353	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)c(F)c(F)c(F)c2F)N1	ZINC000587723354	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)c(F)c(F)c(F)c2F)N1	ZINC000587723355	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)([C@@H](F)C#N)N1	ZINC000587723442	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)([C@H](F)C#N)N1	ZINC000587723443	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)([C@@H](F)C#N)N1	ZINC000587723444	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)([C@H](F)C#N)N1	ZINC000587723445	HJ	Annotated	Mild	
COC[C@@]1(c2cccc(Cl)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587723578	HJ	Annotated	Anodyne	
COC[C@]1(c2cccc(Cl)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587723579	HJ	Annotated	Anodyne	
COC[C@]1(c2cccc(Cl)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587723580	HJ	Annotated	Anodyne	
COC[C@@]1(c2cccc(Cl)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587723581	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2c(F)cccc2F)N1	ZINC000587723600	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2c(F)cccc2F)N1	ZINC000587723601	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2c(F)cccc2F)N1	ZINC000587723602	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2c(F)cccc2F)N1	ZINC000587723603	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)c(F)c(F)c(F)c2F)N1	ZINC000587723632	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)c(F)c(F)c(F)c2F)N1	ZINC000587723633	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)c(F)c(F)c(F)c2F)N1	ZINC000587723634	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)c(F)c(F)c(F)c2F)N1	ZINC000587723635	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnc(C(F)(F)F)c2)N1	ZINC000587723725	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnc(C(F)(F)F)c2)N1	ZINC000587723728	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnc(C(F)(F)F)c2)N1	ZINC000587723730	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnc(C(F)(F)F)c2)N1	ZINC000587723732	HJ	Annotated	Anodyne	
COc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F	ZINC000587723769	HJ	Annotated	Reactive	
COc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F	ZINC000587723772	HJ	Annotated	Reactive	
COc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F	ZINC000587723777	HJ	Annotated	Reactive	
COc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F	ZINC000587723778	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(OC(F)(F)F)c2)N1	ZINC000587723791	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(OC(F)(F)F)c2)N1	ZINC000587723793	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(OC(F)(F)F)c2)N1	ZINC000587723795	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(OC(F)(F)F)c2)N1	ZINC000587723797	HJ	Annotated	Anodyne	
COC[C@@]1(c2cccc(Cl)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587723806	HJ	Annotated	Anodyne	
COC[C@]1(c2cccc(Cl)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587723808	HJ	Annotated	Anodyne	
COC[C@]1(c2cccc(Cl)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587723810	HJ	Annotated	Anodyne	
COC[C@@]1(c2cccc(Cl)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587723812	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3ccnc3)c(F)c2)N1	ZINC000587723825	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3ccnc3)c(F)c2)N1	ZINC000587723826	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3ccnc3)c(F)c2)N1	ZINC000587723828	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3ccnc3)c(F)c2)N1	ZINC000587723831	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3c2OC(F)(F)O3)N1	ZINC000587723938	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3c2OC(F)(F)O3)N1	ZINC000587723939	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3c2OC(F)(F)O3)N1	ZINC000587723940	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3c2OC(F)(F)O3)N1	ZINC000587723941	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(COc2ccc(F)c(F)c2)N1	ZINC000587724008	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COc2ccc(F)c(F)c2)N1	ZINC000587724009	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COc2ccc(F)c(F)c2)N1	ZINC000587724010	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(COc2ccc(F)c(F)c2)N1	ZINC000587724011	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2OC(F)(F)F)N1	ZINC000587724138	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2OC(F)(F)F)N1	ZINC000587724139	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2OC(F)(F)F)N1	ZINC000587724140	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2OC(F)(F)F)N1	ZINC000587724141	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3)c(F)c2)N1	ZINC000587724148	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3)c(F)c2)N1	ZINC000587724149	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)c(F)c2)N1	ZINC000587724150	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)c(F)c2)N1	ZINC000587724151	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(COc2ccc(F)c(F)c2)N1	ZINC000587724300	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COc2ccc(F)c(F)c2)N1	ZINC000587724301	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COc2ccc(F)c(F)c2)N1	ZINC000587724302	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(COc2ccc(F)c(F)c2)N1	ZINC000587724303	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3cccn3)c(F)c2)N1	ZINC000587724448	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3cccn3)c(F)c2)N1	ZINC000587724449	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3cccn3)c(F)c2)N1	ZINC000587724450	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3cccn3)c(F)c2)N1	ZINC000587724451	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(F)c(F)c2)N1	ZINC000587724488	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(F)c(F)c2)N1	ZINC000587724489	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(F)c(F)c2)N1	ZINC000587724490	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(F)c(F)c2)N1	ZINC000587724491	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3)c(F)c2)N1	ZINC000587724520	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3)c(F)c2)N1	ZINC000587724521	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)c(F)c2)N1	ZINC000587724522	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)c(F)c2)N1	ZINC000587724523	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]c3nccc-3c(Cl)c2F)N1	ZINC000587724863	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]c3nccc-3c(Cl)c2F)N1	ZINC000587724871	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]c3nccc-3c(Cl)c2F)N1	ZINC000587724874	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]c3nccc-3c(Cl)c2F)N1	ZINC000587724877	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccccc3F)CC2)N1	ZINC000587724976	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccccc3F)CC2)N1	ZINC000587724981	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)cc(CCl)c2O)N1	ZINC000587725012	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)cc(CCl)c2O)N1	ZINC000587725013	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)cc(CCl)c2O)N1	ZINC000587725014	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)cc(CCl)c2O)N1	ZINC000587725015	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3ccnc3)c(F)c2)N1	ZINC000587725052	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3ccnc3)c(F)c2)N1	ZINC000587725053	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3ccnc3)c(F)c2)N1	ZINC000587725054	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3ccnc3)c(F)c2)N1	ZINC000587725055	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccccc2F)N1	ZINC000587725148	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccccc2F)N1	ZINC000587725151	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccccc2F)N1	ZINC000587725153	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccccc2F)N1	ZINC000587725155	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Br)ccc2F)N1	ZINC000587725192	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Br)ccc2F)N1	ZINC000587725193	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Br)ccc2F)N1	ZINC000587725194	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Br)ccc2F)N1	ZINC000587725195	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccccc2F)N1	ZINC000587725196	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccccc2F)N1	ZINC000587725197	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccccc2F)N1	ZINC000587725198	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccccc2F)N1	ZINC000587725199	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3ccnc3)c(F)c2)N1	ZINC000587725280	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3ccnc3)c(F)c2)N1	ZINC000587725281	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3ccnc3)c(F)c2)N1	ZINC000587725282	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3ccnc3)c(F)c2)N1	ZINC000587725283	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(/C=C\C=O)c2F)N1	ZINC000587725368	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(/C=C/C=O)c2F)N1	ZINC000587725369	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(/C=C\C=O)c2F)N1	ZINC000587725370	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(/C=C/C=O)c2F)N1	ZINC000587725371	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ncc(Cl)cc2F)N1	ZINC000587725372	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ncc(Cl)cc2F)N1	ZINC000587725373	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ncc(Cl)cc2F)N1	ZINC000587725374	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ncc(Cl)cc2F)N1	ZINC000587725375	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Br)c2F)N1	ZINC000587725376	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Br)c2F)N1	ZINC000587725377	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Br)c2F)N1	ZINC000587725378	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Br)c2F)N1	ZINC000587725379	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cccn3)c(F)c2)N1	ZINC000587725468	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cccn3)c(F)c2)N1	ZINC000587725469	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cccn3)c(F)c2)N1	ZINC000587725470	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cccn3)c(F)c2)N1	ZINC000587725471	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(/C=C\C=O)c2F)N1	ZINC000587725590	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(/C=C/C=O)c2F)N1	ZINC000587725591	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(/C=C\C=O)c2F)N1	ZINC000587725592	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(/C=C/C=O)c2F)N1	ZINC000587725593	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)cc2F)N1	ZINC000587725598	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)cc2F)N1	ZINC000587725599	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)cc2F)N1	ZINC000587725600	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)cc2F)N1	ZINC000587725601	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3ccnc3)c(F)c2)N1	ZINC000587725727	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3ccnc3)c(F)c2)N1	ZINC000587725728	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3ccnc3)c(F)c2)N1	ZINC000587725729	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3ccnc3)c(F)c2)N1	ZINC000587725730	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccccc2F)N1	ZINC000587725816	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccccc2F)N1	ZINC000587725817	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccccc2F)N1	ZINC000587725818	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccccc2F)N1	ZINC000587725819	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccccc3F)CC2)N1	ZINC000587725842	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccccc3F)CC2)N1	ZINC000587725843	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(F)cc2F)N1	ZINC000587725872	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(F)cc2F)N1	ZINC000587725873	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(F)cc2F)N1	ZINC000587725874	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(F)cc2F)N1	ZINC000587725875	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cccn3)c(F)c2)N1	ZINC000587726114	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cccn3)c(F)c2)N1	ZINC000587726115	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3cccn3)c(F)c2)N1	ZINC000587726116	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3cccn3)c(F)c2)N1	ZINC000587726117	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(F)c(F)c2)N1	ZINC000587726166	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(F)c(F)c2)N1	ZINC000587726167	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(F)c(F)c2)N1	ZINC000587726168	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(F)c(F)c2)N1	ZINC000587726169	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H](C)C(=O)O)(c2ccccc2F)N1	ZINC000587726328	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H](C)C(=O)O)(c2ccccc2F)N1	ZINC000587726329	HJ	Annotated	Anodyne	
C[C@@H](C[C@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O	ZINC000587726330	HJ	Annotated	Anodyne	
C[C@@H](C[C@@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O	ZINC000587726331	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(F)cc2F)N1	ZINC000587726352	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(F)cc2F)N1	ZINC000587726353	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(F)cc2F)N1	ZINC000587726354	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(F)cc2F)N1	ZINC000587726355	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccccc2F)N1	ZINC000587726456	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccccc2F)N1	ZINC000587726457	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccccc2F)N1	ZINC000587726458	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccccc2F)N1	ZINC000587726459	HJ	Annotated	Anodyne	
COC(OC)c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F	ZINC000587726494	HJ	Annotated	Anodyne	
COC(OC)c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F	ZINC000587726495	HJ	Annotated	Anodyne	
COC(OC)c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F	ZINC000587726496	HJ	Annotated	Anodyne	
COC(OC)c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F	ZINC000587726497	HJ	Annotated	Anodyne	
COc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F	ZINC000587726582	HJ	Annotated	Reactive	
COc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F	ZINC000587726583	HJ	Annotated	Reactive	
COc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F	ZINC000587726584	HJ	Annotated	Reactive	
COc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F	ZINC000587726585	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccccc2F)N1	ZINC000587726689	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccccc2F)N1	ZINC000587726692	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccccc2F)N1	ZINC000587726694	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccccc2F)N1	ZINC000587726696	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H](C)C(=O)O)(c2ccccc2F)N1	ZINC000587726706	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H](C)C(=O)O)(c2ccccc2F)N1	ZINC000587726708	HJ	Annotated	Anodyne	
C[C@@H](C[C@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O	ZINC000587726710	HJ	Annotated	Anodyne	
C[C@@H](C[C@@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O	ZINC000587726711	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3cccn3)c(F)c2)N1	ZINC000587726761	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3cccn3)c(F)c2)N1	ZINC000587726762	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3cccn3)c(F)c2)N1	ZINC000587726763	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3cccn3)c(F)c2)N1	ZINC000587726764	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)cc(CCl)c2O)N1	ZINC000587726852	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)cc(CCl)c2O)N1	ZINC000587726853	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)cc(CCl)c2O)N1	ZINC000587726854	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)cc(CCl)c2O)N1	ZINC000587726855	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccccc3F)c2)N1	ZINC000587726860	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccccc3F)c2)N1	ZINC000587726861	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccccc3F)c2)N1	ZINC000587726862	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccccc3F)c2)N1	ZINC000587726863	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(F)cc3)CC2)N1	ZINC000587726980	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(F)cc3)CC2)N1	ZINC000587726981	HJ	Annotated	Anodyne	
Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(F)cc1	ZINC000587726986	HJ	Annotated	Anodyne	
Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(F)cc1	ZINC000587726987	HJ	Annotated	Anodyne	
Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(F)cc1	ZINC000587726988	HJ	Annotated	Anodyne	
Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(F)cc1	ZINC000587726989	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)([C@H](C)CC(=O)O)N1	ZINC000587727061	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)([C@H](C)CC(=O)O)N1	ZINC000587727062	HJ	Annotated	Anodyne	
C[C@@H](CC(=O)O)[C@]1(c2cccc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587727063	HJ	Annotated	Anodyne	
C[C@@H](CC(=O)O)[C@@]1(c2cccc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587727066	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3cccc(F)c3)CC2)N1	ZINC000587727100	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3cccc(F)c3)CC2)N1	ZINC000587727101	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccc(F)cc2)N1	ZINC000587727199	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccc(F)cc2)N1	ZINC000587727205	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccc(F)cc2)N1	ZINC000587727208	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccc(F)cc2)N1	ZINC000587727210	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Br)c2F)N1	ZINC000587727256	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Br)c2F)N1	ZINC000587727257	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Br)c2F)N1	ZINC000587727258	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Br)c2F)N1	ZINC000587727259	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccccc2F)N1	ZINC000587727280	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccccc2F)N1	ZINC000587727281	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccccc2F)N1	ZINC000587727282	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccccc2F)N1	ZINC000587727283	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccccc2F)N1	ZINC000587727288	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccccc2F)N1	ZINC000587727289	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccccc2F)N1	ZINC000587727290	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccccc2F)N1	ZINC000587727291	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]c3nccc-3c(Cl)c2F)N1	ZINC000587727334	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]c3nccc-3c(Cl)c2F)N1	ZINC000587727335	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]c3nccc-3c(Cl)c2F)N1	ZINC000587727336	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]c3nccc-3c(Cl)c2F)N1	ZINC000587727337	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3cccc(F)c3)c2)N1	ZINC000587727606	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3cccc(F)c3)c2)N1	ZINC000587727607	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3cccc(F)c3)c2)N1	ZINC000587727608	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3cccc(F)c3)c2)N1	ZINC000587727611	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cc2F)N1	ZINC000587727666	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cc2F)N1	ZINC000587727670	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)cc2F)N1	ZINC000587727672	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)cc2F)N1	ZINC000587727673	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(CCC=O)c2F)N1	ZINC000587727734	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(CCC=O)c2F)N1	ZINC000587727735	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(CCC=O)c2F)N1	ZINC000587727736	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(CCC=O)c2F)N1	ZINC000587727737	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnn2-c2ccc(F)cc2)N1	ZINC000587727762	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnn2-c2ccc(F)cc2)N1	ZINC000587727763	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnn2-c2ccc(F)cc2)N1	ZINC000587727764	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnn2-c2ccc(F)cc2)N1	ZINC000587727765	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(O)(c3cccc(F)c3)CC2)N1	ZINC000587727917	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(-c3ccccc3F)c2)N1	ZINC000587727940	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(-c3ccccc3F)c2)N1	ZINC000587727943	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(-c3ccccc3F)c2)N1	ZINC000587727946	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(O)(c3cccc(F)c3)CC2)N1	ZINC000587727949	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(-c3ccccc3F)c2)N1	ZINC000587727950	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(C2CCNCC2)N1	ZINC000587728052	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(C2CCNCC2)N1	ZINC000587728069	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(CCC=O)c2F)N1	ZINC000587728071	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(C2CCNCC2)N1	ZINC000587728072	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(CCC=O)c2F)N1	ZINC000587728074	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(C2CCNCC2)N1	ZINC000587728076	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(CCC=O)c2F)N1	ZINC000587728077	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(CCC=O)c2F)N1	ZINC000587728079	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccc(F)cc2)N1	ZINC000587728134	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccc(F)cc2)N1	ZINC000587728135	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccc(F)cc2)N1	ZINC000587728136	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccc(F)cc2)N1	ZINC000587728137	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(F)cc2)N1	ZINC000587728223	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(F)cc2)N1	ZINC000587728227	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(F)cc2)N1	ZINC000587728230	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(F)cc2)N1	ZINC000587728234	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(=O)O)[nH]c3ccc(F)cc23)N1	ZINC000587728336	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(=O)O)[nH]c3ccc(F)cc23)N1	ZINC000587728345	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(F)cc2)N1	ZINC000587728349	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(=O)O)[nH]c3ccc(F)cc23)N1	ZINC000587728352	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(F)cc2)N1	ZINC000587728355	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(=O)O)[nH]c3ccc(F)cc23)N1	ZINC000587728357	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(F)cc2)N1	ZINC000587728359	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(F)cc2)N1	ZINC000587728364	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccccc3F)nc2)N1	ZINC000587728388	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccccc3F)nc2)N1	ZINC000587728392	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccccc3F)nc2)N1	ZINC000587728396	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccccc3F)nc2)N1	ZINC000587728400	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H](C)C(=O)O)(c2cccc(F)c2)N1	ZINC000587728503	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H](C)C(=O)O)(c2cccc(F)c2)N1	ZINC000587728509	HJ	Annotated	Anodyne	
C[C@@H](C[C@]1(c2cccc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O	ZINC000587728513	HJ	Annotated	Anodyne	
C[C@@H](C[C@@]1(c2cccc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O	ZINC000587728518	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2cc(F)cc(F)c2)N1	ZINC000587728553	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2cc(F)cc(F)c2)N1	ZINC000587728556	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2cc(F)cc(F)c2)N1	ZINC000587728558	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2cc(F)cc(F)c2)N1	ZINC000587728560	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccccc3F)nc2)N1	ZINC000587728606	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccccc3F)nc2)N1	ZINC000587728608	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccccc3F)nc2)N1	ZINC000587728611	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccccc3F)nc2)N1	ZINC000587728614	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(C2CCNCC2)N1	ZINC000587728656	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(C2CCNCC2)N1	ZINC000587728659	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(C2CCNCC2)N1	ZINC000587728662	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(C2CCNCC2)N1	ZINC000587728664	HJ	Annotated	Anodyne	
COCC[C@@]1(Cc2cccc(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587728780	HJ	Annotated	Anodyne	
COCC[C@]1(Cc2cccc(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587728781	HJ	Annotated	Anodyne	
COCC[C@@]1(Cc2cccc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587728782	HJ	Annotated	Anodyne	
COCC[C@]1(Cc2cccc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587728785	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2-n2cccn2)N1	ZINC000587728787	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2-n2cccn2)N1	ZINC000587728789	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2-n2cccn2)N1	ZINC000587728790	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2-n2cccn2)N1	ZINC000587728791	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCCC#N)c2)N1	ZINC000587728967	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(O)(c3cccc(F)c3)CC2)N1	ZINC000587728971	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(O)(c3cccc(F)c3)CC2)N1	ZINC000587728975	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCCC#N)c2)N1	ZINC000587728977	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCCC#N)c2)N1	ZINC000587728981	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCCC#N)c2)N1	ZINC000587728986	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(=O)O)[nH]c3ccc(F)cc23)N1	ZINC000587729074	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(=O)O)[nH]c3ccc(F)cc23)N1	ZINC000587729078	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(=O)O)[nH]c3ccc(F)cc23)N1	ZINC000587729080	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(=O)O)[nH]c3ccc(F)cc23)N1	ZINC000587729083	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2ccc(F)cc2)N1	ZINC000587729277	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccc(F)cc2)N1	ZINC000587729278	HJ	Annotated	Anodyne	
COc1ccc([C@]2(CCC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587729378	HJ	Annotated	Mild	
COc1ccc([C@@]2(CCC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587729379	HJ	Annotated	Mild	
COc1ccc([C@]2(CCC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587729380	HJ	Annotated	Mild	
COc1ccc([C@@]2(CCC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587729381	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(-c3ccccc3F)c2)N1	ZINC000587729455	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(-c3ccccc3F)c2)N1	ZINC000587729458	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(-c3ccccc3F)c2)N1	ZINC000587729459	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(-c3ccccc3F)c2)N1	ZINC000587729464	HJ	Annotated	Anodyne	
COCCC[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587729526	HJ	Annotated	Anodyne	
COCCC[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587729528	HJ	Annotated	Anodyne	
COCCC[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587729533	HJ	Annotated	Anodyne	
COCCC[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587729536	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@]2(c3cccc(F)c3)CCOC2)N1	ZINC000587729539	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@]2(c3cccc(F)c3)CCOC2)N1	ZINC000587729544	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@]2(c3cccc(F)c3)CCOC2)N1	ZINC000587729549	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@]2(c3cccc(F)c3)CCOC2)N1	ZINC000587729551	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Br)ccc2F)N1	ZINC000587729626	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Br)ccc2F)N1	ZINC000587729627	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Br)ccc2F)N1	ZINC000587729628	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Br)ccc2F)N1	ZINC000587729629	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(c2ccccn2)N1	ZINC000587729665	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(c2ccccn2)N1	ZINC000587729668	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(c2ccccn2)N1	ZINC000587729669	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(c2ccccn2)N1	ZINC000587729670	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2ccc(F)cc2)N1	ZINC000587729672	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccc(F)cc2)N1	ZINC000587729673	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cccnc2)N1	ZINC000587729785	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cccnc2)N1	ZINC000587729786	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cccnc2)N1	ZINC000587729788	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cccnc2)N1	ZINC000587729789	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3ccc(F)cc3oc2=O)N1	ZINC000587729819	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3ccc(F)cc3oc2=O)N1	ZINC000587729820	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3ccc(F)cc3oc2=O)N1	ZINC000587729821	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3ccc(F)cc3oc2=O)N1	ZINC000587729822	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc(F)cc2)N1	ZINC000587729886	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccc(F)cc2)N1	ZINC000587729888	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc(F)cc2)N1	ZINC000587729889	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccc(F)cc2)N1	ZINC000587729891	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccccc3F)c2)N1	ZINC000587730113	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccccc3F)c2)N1	ZINC000587730115	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccccc3F)c2)N1	ZINC000587730117	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccccc3F)c2)N1	ZINC000587730120	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(C2CCNCC2)N1	ZINC000587730293	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(C2CCNCC2)N1	ZINC000587730295	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(C2CCNCC2)N1	ZINC000587730296	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(C2CCNCC2)N1	ZINC000587730297	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(F)cn2)N1	ZINC000587730542	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(F)cn2)N1	ZINC000587730544	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(F)cn2)N1	ZINC000587730546	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(F)cn2)N1	ZINC000587730548	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=C(C#N)C#N)c3ccccc32)N1	ZINC000587730572	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=C(C#N)C#N)c3ccccc32)N1	ZINC000587730573	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=C(C#N)C#N)c3ccccc32)N1	ZINC000587730574	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=C(C#N)C#N)c3ccccc32)N1	ZINC000587730575	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H](C)C(=O)O)(c2cccc(F)c2)N1	ZINC000587730646	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H](C)C(=O)O)(c2cccc(F)c2)N1	ZINC000587730647	HJ	Annotated	Anodyne	
C[C@@H](C[C@]1(c2cccc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O	ZINC000587730648	HJ	Annotated	Anodyne	
C[C@@H](C[C@@]1(c2cccc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O	ZINC000587730649	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2cc(F)cc(F)c2)N1	ZINC000587730654	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2cc(F)cc(F)c2)N1	ZINC000587730656	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2cc(F)cc(F)c2)N1	ZINC000587730658	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2cc(F)cc(F)c2)N1	ZINC000587730660	HJ	Annotated	Anodyne	
COCC[C@@]1(Cc2cccc(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587730777	HJ	Annotated	Anodyne	
COCC[C@]1(Cc2cccc(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587730779	HJ	Annotated	Anodyne	
COCC[C@@]1(Cc2cccc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587730781	HJ	Annotated	Anodyne	
COCC[C@]1(Cc2cccc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587730783	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ncc(Cl)cc2F)N1	ZINC000587730791	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ncc(Cl)cc2F)N1	ZINC000587730793	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ncc(Cl)cc2F)N1	ZINC000587730795	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ncc(Cl)cc2F)N1	ZINC000587730797	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccccn2)N1	ZINC000587730994	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccccn2)N1	ZINC000587730995	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccccn2)N1	ZINC000587730996	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccccn2)N1	ZINC000587730997	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(Cc3ccc(F)cc3)c2)N1	ZINC000587731026	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(Cc3ccc(F)cc3)c2)N1	ZINC000587731028	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(Cc3ccc(F)cc3)c2)N1	ZINC000587731029	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(Cc3ccc(F)cc3)c2)N1	ZINC000587731031	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c2[nH]c2ccc(F)cc32)N1	ZINC000587731091	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c2[nH]c2ccc(F)cc32)N1	ZINC000587731092	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c2[nH]c2ccc(F)cc32)N1	ZINC000587731093	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c2[nH]c2ccc(F)cc32)N1	ZINC000587731096	HJ	Annotated	Anodyne	
COc1cc(C#N)ccc1OCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587731098	HJ	Annotated	Mild	
COc1cc(C#N)ccc1OCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587731104	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(-c3ccc(F)cc3)c2)N1	ZINC000587731108	HJ	Annotated	Anodyne	
COc1cc(C#N)ccc1OCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587731109	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(-c3ccc(F)cc3)c2)N1	ZINC000587731110	HJ	Annotated	Anodyne	
COc1cc(C#N)ccc1OCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587731111	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(-c3ccc(F)cc3)c2)N1	ZINC000587731112	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(-c3ccc(F)cc3)c2)N1	ZINC000587731114	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2c[nH]c3cc(F)ccc23)N1	ZINC000587731216	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2c[nH]c3cc(F)ccc23)N1	ZINC000587731219	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C)Oc2ccc(C#N)cc2)N1	ZINC000587731228	HJ	Annotated	Mild	
C[C@H](Oc1ccc(C#N)cc1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587731229	HJ	Annotated	Mild	
C[C@H](Oc1ccc(C#N)cc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587731230	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C)Oc2ccc(C#N)cc2)N1	ZINC000587731231	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccccc2F)N1	ZINC000587731276	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccccc2F)N1	ZINC000587731277	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccccc2F)N1	ZINC000587731278	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccccc2F)N1	ZINC000587731279	HJ	Annotated	Reactive	
COC(OC)c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F	ZINC000587731339	HJ	Annotated	Anodyne	
COC(OC)c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F	ZINC000587731341	HJ	Annotated	Anodyne	
COC(OC)c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F	ZINC000587731342	HJ	Annotated	Anodyne	
COC(OC)c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F	ZINC000587731344	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3ccc(F)cc3)C2)N1	ZINC000587731607	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3ccc(F)cc3)C2)N1	ZINC000587731614	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3ccc(F)cc3)C2)N1	ZINC000587731616	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3ccc(F)cc3)C2)N1	ZINC000587731618	HJ	Annotated	Anodyne	
COc1cc(C#N)ccc1OCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587731712	HJ	Annotated	Mild	
COc1cc(C#N)ccc1OCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587731715	HJ	Annotated	Mild	
COc1cc(C#N)ccc1OCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587731717	HJ	Annotated	Mild	
COc1cc(C#N)ccc1OCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587731720	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2c[nH]c3cc(F)ccc23)N1	ZINC000587731810	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2c[nH]c3cc(F)ccc23)N1	ZINC000587731811	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccc(F)cc3)c2)N1	ZINC000587731860	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccc(F)cc3)c2)N1	ZINC000587731861	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccc(F)cc3)c2)N1	ZINC000587731862	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccc(F)cc3)c2)N1	ZINC000587731863	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ncc2F)N1	ZINC000587731923	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ncc2F)N1	ZINC000587731924	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ncc2F)N1	ZINC000587731926	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ncc2F)N1	ZINC000587731928	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3cccc(F)c3)CC2)N1	ZINC000587731981	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3cccc(F)c3)CC2)N1	ZINC000587731982	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2cccc(F)c2)N1	ZINC000587732006	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2cccc(F)c2)N1	ZINC000587732007	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2cccc(F)c2)N1	ZINC000587732009	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2cccc(F)c2)N1	ZINC000587732010	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2-n2ccnc2)N1	ZINC000587732019	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2-n2ccnc2)N1	ZINC000587732021	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2-n2ccnc2)N1	ZINC000587732024	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2-n2ccnc2)N1	ZINC000587732026	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCCC#N)c2)N1	ZINC000587732086	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCCC#N)c2)N1	ZINC000587732087	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCCC#N)c2)N1	ZINC000587732088	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCCC#N)c2)N1	ZINC000587732089	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccc(F)cc2)N1	ZINC000587732305	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc(F)cc2)N1	ZINC000587732307	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccc(F)cc2)N1	ZINC000587732309	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc(F)cc2)N1	ZINC000587732310	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3cccc(F)c3)CC2)N1	ZINC000587732403	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3cccc(F)c3)CC2)N1	ZINC000587732407	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ncc2F)N1	ZINC000587732470	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ncc2F)N1	ZINC000587732472	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ncc2F)N1	ZINC000587732473	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ncc2F)N1	ZINC000587732475	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2-n2cccn2)N1	ZINC000587732547	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2-n2cccn2)N1	ZINC000587732549	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2-n2cccn2)N1	ZINC000587732550	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2-n2cccn2)N1	ZINC000587732553	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2N(C)C2CC2)N1	ZINC000587732583	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2N(C)C2CC2)N1	ZINC000587732585	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2N(C)C2CC2)N1	ZINC000587732587	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2N(C)C2CC2)N1	ZINC000587732591	HJ	Annotated	Anodyne	
Cc1nn(-c2ccc(F)cc2)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587732848	HJ	Annotated	Anodyne	
Cc1nn(-c2ccc(F)cc2)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587732849	HJ	Annotated	Anodyne	
Cc1nn(-c2ccc(F)cc2)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587732850	HJ	Annotated	Anodyne	
Cc1nn(-c2ccc(F)cc2)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587732851	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(C2CCNCC2)N1	ZINC000587732914	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(C2CCNCC2)N1	ZINC000587732915	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(C2CCNCC2)N1	ZINC000587732916	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(C2CCNCC2)N1	ZINC000587732917	HJ	Annotated	Anodyne	
COCCC[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587732958	HJ	Annotated	Anodyne	
COCCC[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587732959	HJ	Annotated	Anodyne	
COCCC[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587732960	HJ	Annotated	Anodyne	
COCCC[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587732961	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=C(C#N)C#N)c3ccccc32)N1	ZINC000587733029	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=C(C#N)C#N)c3ccccc32)N1	ZINC000587733032	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=C(C#N)C#N)c3ccccc32)N1	ZINC000587733034	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=C(C#N)C#N)c3ccccc32)N1	ZINC000587733036	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccccn2)N1	ZINC000587733210	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccccn2)N1	ZINC000587733212	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccccn2)N1	ZINC000587733216	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccccn2)N1	ZINC000587733219	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2ccc(F)cc2)N1	ZINC000587733303	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2ccc(F)cc2)N1	ZINC000587733307	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2ccc(F)cc2)N1	ZINC000587733310	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2ccc(F)cc2)N1	ZINC000587733312	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C[C@@H](C)C#N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587733540	HJ	Annotated	Mild	
COc1ccc([C@]2(C[C@H](C)C#N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587733541	HJ	Annotated	Mild	
COc1ccc([C@]2(C[C@H](C)C#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587733542	HJ	Annotated	Mild	
COc1ccc([C@]2(C[C@@H](C)C#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587733543	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2N(C)C2CC2)N1	ZINC000587733749	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2N(C)C2CC2)N1	ZINC000587733752	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2N(C)C2CC2)N1	ZINC000587733755	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2N(C)C2CC2)N1	ZINC000587733759	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2cccc(F)c2)N1	ZINC000587733874	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2cccc(F)c2)N1	ZINC000587733878	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2cccc(F)c2)N1	ZINC000587733882	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2cccc(F)c2)N1	ZINC000587733885	HJ	Annotated	Anodyne	
Cc1nn(-c2ccc(F)cc2)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587734022	HJ	Annotated	Anodyne	
Cc1nn(-c2ccc(F)cc2)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587734024	HJ	Annotated	Anodyne	
Cc1nn(-c2ccc(F)cc2)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587734026	HJ	Annotated	Anodyne	
Cc1nn(-c2ccc(F)cc2)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587734028	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3ccc(F)cc3oc2=O)N1	ZINC000587734396	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3ccc(F)cc3oc2=O)N1	ZINC000587734397	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3ccc(F)cc3oc2=O)N1	ZINC000587734399	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3ccc(F)cc3oc2=O)N1	ZINC000587734401	HJ	Annotated	Anodyne	
COc1ccc([C@]2(CCC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587734612	HJ	Annotated	Mild	
COc1ccc([C@@]2(CCC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587734613	HJ	Annotated	Mild	
COc1ccc([C@]2(CCC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587734614	HJ	Annotated	Mild	
COc1ccc([C@@]2(CCC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587734615	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(c2ccccn2)N1	ZINC000587734803	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(c2ccccn2)N1	ZINC000587734804	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(c2ccccn2)N1	ZINC000587734805	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(c2ccccn2)N1	ZINC000587734806	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cncc2Br)N1	ZINC000587734861	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cncc2Br)N1	ZINC000587734862	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cncc2Br)N1	ZINC000587734863	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cncc2Br)N1	ZINC000587734864	HJ	Annotated	Anodyne	
Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(F)cc1	ZINC000587734921	HJ	Annotated	Anodyne	
Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(F)cc1	ZINC000587734922	HJ	Annotated	Anodyne	
Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(F)cc1	ZINC000587734923	HJ	Annotated	Anodyne	
Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(F)cc1	ZINC000587734924	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccc(F)cc2)N1	ZINC000587734949	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccc(F)cc2)N1	ZINC000587734951	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccc(F)cc2)N1	ZINC000587734952	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccc(F)cc2)N1	ZINC000587734954	HJ	Annotated	Reactive	
COc1ccc([C@]2(C[C@@H](C)C#N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587734982	HJ	Annotated	Mild	
COc1ccc([C@]2(C[C@H](C)C#N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587734985	HJ	Annotated	Mild	
COc1ccc([C@]2(C[C@H](C)C#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587734986	HJ	Annotated	Mild	
COc1ccc([C@]2(C[C@@H](C)C#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587734988	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)([C@H](C)CC(=O)O)N1	ZINC000587735207	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)([C@H](C)CC(=O)O)N1	ZINC000587735208	HJ	Annotated	Anodyne	
C[C@@H](CC(=O)O)[C@]1(c2cccc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587735209	HJ	Annotated	Anodyne	
C[C@@H](CC(=O)O)[C@@]1(c2cccc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587735210	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc(F)cc2)N1	ZINC000587735429	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc(F)cc2)N1	ZINC000587735432	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2ccc(F)cc2)N1	ZINC000587735433	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2ccc(F)cc2)N1	ZINC000587735435	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccc(F)cc2)N1	ZINC000587735437	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccc(F)cc2)N1	ZINC000587735439	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccc(F)cc2)N1	ZINC000587735440	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccc(F)cc2)N1	ZINC000587735442	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3cccc(F)c3)c2)N1	ZINC000587735567	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3cccc(F)c3)c2)N1	ZINC000587735568	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3cccc(F)c3)c2)N1	ZINC000587735569	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3cccc(F)c3)c2)N1	ZINC000587735570	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2-n2ccnc2)N1	ZINC000587735623	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2-n2ccnc2)N1	ZINC000587735624	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2-n2ccnc2)N1	ZINC000587735625	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2-n2ccnc2)N1	ZINC000587735626	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@]2(c3cccc(F)c3)CCOC2)N1	ZINC000587735631	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@]2(c3cccc(F)c3)CCOC2)N1	ZINC000587735632	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@]2(c3cccc(F)c3)CCOC2)N1	ZINC000587735633	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@]2(c3cccc(F)c3)CCOC2)N1	ZINC000587735634	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C)Oc2ccc(C#N)cc2)N1	ZINC000587735655	HJ	Annotated	Mild	
C[C@H](Oc1ccc(C#N)cc1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587735656	HJ	Annotated	Mild	
C[C@H](Oc1ccc(C#N)cc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587735657	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C)Oc2ccc(C#N)cc2)N1	ZINC000587735658	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(-c3ccc(F)cc3)c2)N1	ZINC000587735754	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(-c3ccc(F)cc3)c2)N1	ZINC000587735755	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(-c3ccc(F)cc3)c2)N1	ZINC000587735756	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(-c3ccc(F)cc3)c2)N1	ZINC000587735757	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccc(F)cc3)c2)N1	ZINC000587735762	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccc(F)cc3)c2)N1	ZINC000587735763	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccc(F)cc3)c2)N1	ZINC000587735764	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccc(F)cc3)c2)N1	ZINC000587735765	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(F)cn2)N1	ZINC000587735774	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(F)cn2)N1	ZINC000587735775	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(F)cn2)N1	ZINC000587735776	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(F)cn2)N1	ZINC000587735777	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2ccc(F)cc2)N1	ZINC000587735824	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2ccc(F)cc2)N1	ZINC000587735825	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2ccc(F)cc2)N1	ZINC000587735826	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2ccc(F)cc2)N1	ZINC000587735827	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cncc2Br)N1	ZINC000587735927	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cncc2Br)N1	ZINC000587735928	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cncc2Br)N1	ZINC000587735930	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cncc2Br)N1	ZINC000587735932	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cccnc2)N1	ZINC000587735965	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cccnc2)N1	ZINC000587735966	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cccnc2)N1	ZINC000587735967	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cccnc2)N1	ZINC000587735969	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3cccc(F)c3)CC2)N1	ZINC000587736080	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3cccc(F)c3)CC2)N1	ZINC000587736081	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3ccc(F)cc3)C2)N1	ZINC000587736500	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](c3ccc(F)cc3)C2)N1	ZINC000587736503	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3ccc(F)cc3)C2)N1	ZINC000587736506	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](c3ccc(F)cc3)C2)N1	ZINC000587736508	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(F)cc2)N1	ZINC000587736636	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(F)cc2)N1	ZINC000587736637	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(F)cc2)N1	ZINC000587736638	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(F)cc2)N1	ZINC000587736639	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnn2-c2ccc(F)cc2)N1	ZINC000587736650	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnn2-c2ccc(F)cc2)N1	ZINC000587736651	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnn2-c2ccc(F)cc2)N1	ZINC000587736652	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnn2-c2ccc(F)cc2)N1	ZINC000587736653	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)nc(N3CCCC3)c2)N1	ZINC000587736901	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)nc(N3CCCC3)c2)N1	ZINC000587736911	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)nc(N3CCCC3)c2)N1	ZINC000587736913	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)nc(N3CCCC3)c2)N1	ZINC000587736916	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(F)cc3)CC2)N1	ZINC000587736959	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(F)cc3)CC2)N1	ZINC000587736960	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccnc2F)N1	ZINC000587736967	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccnc2F)N1	ZINC000587736968	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccnc2F)N1	ZINC000587736970	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccnc2F)N1	ZINC000587736972	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(F)cc2)N1	ZINC000587737113	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCC3)nc2F)N1	ZINC000587737114	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(F)cc2)N1	ZINC000587737116	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCC3)nc2F)N1	ZINC000587737117	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(F)cc2)N1	ZINC000587737118	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCC3)nc2F)N1	ZINC000587737120	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(F)cc2)N1	ZINC000587737121	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCC3)nc2F)N1	ZINC000587737124	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c2[nH]c2ccc(F)cc32)N1	ZINC000587737417	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c2[nH]c2ccc(F)cc32)N1	ZINC000587737419	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c2[nH]c2ccc(F)cc32)N1	ZINC000587737422	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c2[nH]c2ccc(F)cc32)N1	ZINC000587737425	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2ccc(F)cc2)N1	ZINC000587737572	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc(F)cc2)N1	ZINC000587737573	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2ccc(F)cc2)N1	ZINC000587737574	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc(F)cc2)N1	ZINC000587737575	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(Cc3ccc(F)cc3)c2)N1	ZINC000587737592	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(Cc3ccc(F)cc3)c2)N1	ZINC000587737593	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(Cc3ccc(F)cc3)c2)N1	ZINC000587737594	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(Cc3ccc(F)cc3)c2)N1	ZINC000587737595	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2ccc(F)cc2)N1	ZINC000587737788	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2ccc(F)cc2)N1	ZINC000587737789	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2ccc(F)cc2)N1	ZINC000587737790	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2ccc(F)cc2)N1	ZINC000587737791	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccnc2F)N1	ZINC000587737848	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccnc2F)N1	ZINC000587737849	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccnc2F)N1	ZINC000587737850	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccnc2F)N1	ZINC000587737851	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cnc2F)N1	ZINC000587737880	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cnc2F)N1	ZINC000587737881	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cnc2F)N1	ZINC000587737882	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cnc2F)N1	ZINC000587737883	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3c(F)cc(F)cc32)N1	ZINC000587737996	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3c(F)cc(F)cc32)N1	ZINC000587737997	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3c(F)cc(F)cc32)N1	ZINC000587737998	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3c(F)cc(F)cc32)N1	ZINC000587737999	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(F)n2)N1	ZINC000587738236	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(F)n2)N1	ZINC000587738237	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(F)n2)N1	ZINC000587738238	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(F)n2)N1	ZINC000587738239	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587738410	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587738411	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587738412	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587738413	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cnc2F)N1	ZINC000587738485	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cnc2F)N1	ZINC000587738486	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cnc2F)N1	ZINC000587738487	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cnc2F)N1	ZINC000587738488	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)nc(N3CCCC3)c2)N1	ZINC000587738489	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)nc(N3CCCC3)c2)N1	ZINC000587738491	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)nc(N3CCCC3)c2)N1	ZINC000587738493	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)nc(N3CCCC3)c2)N1	ZINC000587738495	HJ	Annotated	Anodyne	
COc1ccc(/C(=C\N(C)C)[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587738516	HJ	Annotated	Anodyne	
COc1ccc(/C(=C\N(C)C)[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587738522	HJ	Annotated	Anodyne	
COc1ccc(/C(=C\N(C)C)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587738523	HJ	Annotated	Anodyne	
COc1ccc(/C(=C\N(C)C)[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587738524	HJ	Annotated	Anodyne	
CCN(CC)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1	ZINC000587738557	HJ	Annotated	Clean	
CCN(CC)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1	ZINC000587738559	HJ	Annotated	Clean	
CCN(CC)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1	ZINC000587738560	HJ	Annotated	Clean	
CCN(CC)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1	ZINC000587738561	HJ	Annotated	Clean	
CCOc1ccc(CN(C)C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587738590	HJ	Annotated	Anodyne	
CCOc1ccc(CN(C)C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587738591	HJ	Annotated	Anodyne	
CCOc1ccc(CN(C)C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587738592	HJ	Annotated	Anodyne	
CCOc1ccc(CN(C)C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587738593	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C	ZINC000587738768	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C	ZINC000587738769	HJ	Annotated	Anodyne	
C/C(=C\[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C	ZINC000587738770	HJ	Annotated	Anodyne	
C/C(=C\[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C	ZINC000587738771	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587738956	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587738957	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587738958	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587738959	HJ	Annotated	Anodyne	
Cc1cccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587739168	HJ	Annotated	Anodyne	
Cc1cccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587739169	HJ	Annotated	Anodyne	
Cc1cccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587739170	HJ	Annotated	Anodyne	
Cc1cccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587739171	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCCN(C)C)c2)N1	ZINC000587739194	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCCN(C)C)c2)N1	ZINC000587739195	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCCN(C)C)c2)N1	ZINC000587739196	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCCN(C)C)c2)N1	ZINC000587739197	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCC3)nc2F)N1	ZINC000587739307	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCC3)nc2F)N1	ZINC000587739308	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCC3)nc2F)N1	ZINC000587739310	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCC3)nc2F)N1	ZINC000587739311	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN(C)C(=O)OC(C)(C)C)N1	ZINC000587739482	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN(C)C(=O)OC(C)(C)C)N1	ZINC000587739483	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN(C)C(=O)OC(C)(C)C)N1	ZINC000587739484	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN(C)C(=O)OC(C)(C)C)N1	ZINC000587739485	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C	ZINC000587739490	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C	ZINC000587739491	HJ	Annotated	Anodyne	
C/C(=C\[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C	ZINC000587739492	HJ	Annotated	Anodyne	
C/C(=C\[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C	ZINC000587739493	HJ	Annotated	Anodyne	
CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN(C)C	ZINC000587739498	HJ	Annotated	Anodyne	
CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN(C)C	ZINC000587739499	HJ	Annotated	Anodyne	
CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN(C)C	ZINC000587739500	HJ	Annotated	Anodyne	
CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN(C)C	ZINC000587739501	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2NC(=O)C(C)(C)C)N1	ZINC000587739514	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2NC(=O)C(C)(C)C)N1	ZINC000587739515	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2NC(=O)C(C)(C)C)N1	ZINC000587739516	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2NC(=O)C(C)(C)C)N1	ZINC000587739517	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3c(F)cc(F)cc32)N1	ZINC000587739709	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3c(F)cc(F)cc32)N1	ZINC000587739711	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3c(F)cc(F)cc32)N1	ZINC000587739714	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3c(F)cc(F)cc32)N1	ZINC000587739717	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(F)n2)N1	ZINC000587739744	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(F)n2)N1	ZINC000587739746	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(F)n2)N1	ZINC000587739749	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(F)n2)N1	ZINC000587739752	HJ	Annotated	Anodyne	
CCN(CC)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1	ZINC000587739957	HJ	Annotated	Clean	
CCN(CC)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1	ZINC000587739958	HJ	Annotated	Clean	
CCN(CC)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1	ZINC000587739959	HJ	Annotated	Clean	
CCN(CC)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1	ZINC000587739960	HJ	Annotated	Clean	
Cc1cccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587740729	HJ	Annotated	Anodyne	
Cc1cccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587740731	HJ	Annotated	Anodyne	
Cc1cccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587740732	HJ	Annotated	Anodyne	
Cc1cccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587740735	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCN(C)C)cc2)N1	ZINC000587740738	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCCN(C)C)cc2)N1	ZINC000587740740	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCN(C)C)cc2)N1	ZINC000587740743	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCCN(C)C)cc2)N1	ZINC000587740744	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(C=CC(=Nc3ccc(O)cc3)C=C2)N1	ZINC000587740752	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2C2(C=CC(=Nc3ccc(O)cc3)C=C2)N1	ZINC000587740780	HJ	Annotated	Mild	
Cc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1	ZINC000587740822	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1	ZINC000587740827	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1	ZINC000587740829	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1	ZINC000587740831	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)CCC#N)cc2)N1	ZINC000587740890	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)CCC#N)cc2)N1	ZINC000587740892	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)CCC#N)cc2)N1	ZINC000587740893	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)CCC#N)cc2)N1	ZINC000587740894	HJ	Annotated	Mild	
CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN(C)C	ZINC000587741031	HJ	Annotated	Anodyne	
CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN(C)C	ZINC000587741033	HJ	Annotated	Anodyne	
CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN(C)C	ZINC000587741034	HJ	Annotated	Anodyne	
CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN(C)C	ZINC000587741036	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCCN(C)C)N1	ZINC000587741048	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCCN(C)C)N1	ZINC000587741049	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCCN(C)C)N1	ZINC000587741050	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCCN(C)C)N1	ZINC000587741051	HJ	Annotated	Anodyne	
CCC(=O)Nc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587741119	HJ	Annotated	Anodyne	
CCC(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587741122	HJ	Annotated	Anodyne	
CCC(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587741124	HJ	Annotated	Anodyne	
CCC(=O)Nc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587741126	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2NC(=O)C(C)(C)C)N1	ZINC000587741472	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2NC(=O)C(C)(C)C)N1	ZINC000587741474	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2NC(=O)C(C)(C)C)N1	ZINC000587741475	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2NC(=O)C(C)(C)C)N1	ZINC000587741477	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCN(C)C)cc2)N1	ZINC000587741526	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCN(C)C)cc2)N1	ZINC000587741528	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCN(C)C)cc2)N1	ZINC000587741529	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCN(C)C)cc2)N1	ZINC000587741530	HJ	Annotated	Anodyne	
Cc1cccc(C)c1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587741578	HJ	Annotated	Anodyne	
Cc1cccc(C)c1NC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587741581	HJ	Annotated	Anodyne	
Cc1cccc(C)c1NC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587741583	HJ	Annotated	Anodyne	
Cc1cccc(C)c1NC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587741585	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCCN(C)C)c2)N1	ZINC000587741843	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCCN(C)C)c2)N1	ZINC000587741845	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCCN(C)C)c2)N1	ZINC000587741847	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCCN(C)C)c2)N1	ZINC000587741848	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587742088	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587742090	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587742092	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587742095	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)CCC#N)cc2)N1	ZINC000587742183	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)CCC#N)cc2)N1	ZINC000587742185	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)CCC#N)cc2)N1	ZINC000587742187	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)CCC#N)cc2)N1	ZINC000587742188	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCCN(C)C)N1	ZINC000587742220	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCCN(C)C)N1	ZINC000587742223	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCCN(C)C)N1	ZINC000587742226	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCCN(C)C)N1	ZINC000587742228	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587742315	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587742316	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587742317	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587742318	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)N(C)C(=O)OC(C)(C)C)N1	ZINC000587742453	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)N(C)C(=O)OC(C)(C)C)N1	ZINC000587742454	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)N(C)C(=O)OC(C)(C)C)N1	ZINC000587742456	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)N(C)C(=O)OC(C)(C)C)N1	ZINC000587742458	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1	ZINC000587742465	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1	ZINC000587742473	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1	ZINC000587742474	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1	ZINC000587742475	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1c(N)cccc12	ZINC000587742523	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1c(N)cccc12	ZINC000587742524	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1c(N)cccc12	ZINC000587742525	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1c(N)cccc12	ZINC000587742526	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)N(C)C(=O)OC(C)(C)C)N1	ZINC000587742580	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)N(C)C(=O)OC(C)(C)C)N1	ZINC000587742581	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)N(C)C(=O)OC(C)(C)C)N1	ZINC000587742582	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)N(C)C(=O)OC(C)(C)C)N1	ZINC000587742584	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc(N)cc12	ZINC000587743035	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(N)cc12	ZINC000587743037	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C	ZINC000587743077	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C	ZINC000587743078	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C	ZINC000587743079	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C	ZINC000587743080	HJ	Annotated	Anodyne	
COc1ccc(/C(=C\N(C)C)[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587743143	HJ	Annotated	Anodyne	
COc1ccc(/C(=C\N(C)C)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587743144	HJ	Annotated	Anodyne	
COc1ccc(/C(=C\N(C)C)[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587743145	HJ	Annotated	Anodyne	
COc1ccc(/C(=C\N(C)C)[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587743146	HJ	Annotated	Anodyne	
CCOc1ccc(CN(C)C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587743147	HJ	Annotated	Anodyne	
CCOc1ccc(CN(C)C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587743148	HJ	Annotated	Anodyne	
CCOc1ccc(CN(C)C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587743149	HJ	Annotated	Anodyne	
CCOc1ccc(CN(C)C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587743150	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc(N)cc12	ZINC000587743195	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(N)cc12	ZINC000587743196	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2[N+](=O)[O-])(C2CC2)N1	ZINC000587743318	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2[N+](=O)[O-])(C2CC2)N1	ZINC000587743325	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2[N+](=O)[O-])(C2CC2)N1	ZINC000587743328	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2[N+](=O)[O-])(C2CC2)N1	ZINC000587743331	HJ	Annotated	Bother	
CC(=O)Nc1ccc2c(c1)CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587743570	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(C=CC(=Nc3ccc(O)cc3)C=C2)N1	ZINC000587743571	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2C2(C=CC(=Nc3ccc(O)cc3)C=C2)N1	ZINC000587743572	HJ	Annotated	Mild	
CC(=O)Nc1ccc2c(c1)CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587743576	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc2c(c1)CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587743578	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc2c(c1)CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587743580	HJ	Annotated	Anodyne	
Cc1ccccc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587743720	HJ	Annotated	Anodyne	
Cc1ccccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587743722	HJ	Annotated	Anodyne	
Cc1ccccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587743726	HJ	Annotated	Anodyne	
Cc1ccccc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587743727	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C	ZINC000587743730	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C	ZINC000587743733	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C	ZINC000587743737	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C	ZINC000587743739	HJ	Annotated	Anodyne	
Cc1cc(C)cc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587743813	HJ	Annotated	Anodyne	
Cc1cc(C)cc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587743814	HJ	Annotated	Anodyne	
Cc1cc(C)cc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587743815	HJ	Annotated	Anodyne	
Cc1cc(C)cc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587743817	HJ	Annotated	Anodyne	
CCc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587743952	HJ	Annotated	Anodyne	
CCc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587743954	HJ	Annotated	Anodyne	
CCc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587743956	HJ	Annotated	Anodyne	
CCc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587743958	HJ	Annotated	Anodyne	
Cc1cccc(C)c1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587743959	HJ	Annotated	Anodyne	
Cc1cccc(C)c1NC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587743960	HJ	Annotated	Anodyne	
Cc1cccc(C)c1NC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587743961	HJ	Annotated	Anodyne	
Cc1cccc(C)c1NC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587743962	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCN(C)C(=O)OC(C)(C)C)N1	ZINC000587744224	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCN(C)C(=O)OC(C)(C)C)N1	ZINC000587744226	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCN(C)C(=O)OC(C)(C)C)N1	ZINC000587744228	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCN(C)C(=O)OC(C)(C)C)N1	ZINC000587744231	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccccc2[N+](=O)[O-])N1	ZINC000587744304	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccccc2[N+](=O)[O-])N1	ZINC000587744307	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccccc2[N+](=O)[O-])N1	ZINC000587744310	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccccc2[N+](=O)[O-])N1	ZINC000587744311	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)N1	ZINC000587744351	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)N1	ZINC000587744354	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)N1	ZINC000587744355	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)N1	ZINC000587744356	HJ	Annotated	Bother	
Cc1ccc([C@]2(c3occc3N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587744607	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(c3occc3N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587744615	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(c3occc3N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587744616	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(c3occc3N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587744617	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587744651	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587744653	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587744654	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587744656	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1	ZINC000587744664	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1	ZINC000587744665	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1	ZINC000587744667	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1	ZINC000587744669	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc2c(c1)CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587744686	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc2c(c1)CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587744688	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc2c(c1)CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587744689	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc2c(c1)CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587744690	HJ	Annotated	Anodyne	
Cc1ccccc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587744703	HJ	Annotated	Anodyne	
Cc1ccccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587744705	HJ	Annotated	Anodyne	
Cc1ccccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587744708	HJ	Annotated	Anodyne	
Cc1ccccc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587744709	HJ	Annotated	Anodyne	
CC[C@]1(C)C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(N)ccc2O1	ZINC000587745097	HJ	Annotated	Anodyne	
CC[C@]1(C)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(N)ccc2O1	ZINC000587745099	HJ	Annotated	Anodyne	
CC[C@]1(C)C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(N)ccc2O1	ZINC000587745102	HJ	Annotated	Anodyne	
CC[C@]1(C)C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(N)ccc2O1	ZINC000587745105	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2NC(=O)C(C)(C)C)N1	ZINC000587745177	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2NC(=O)C(C)(C)C)N1	ZINC000587745178	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2NC(=O)C(C)(C)C)N1	ZINC000587745179	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2NC(=O)C(C)(C)C)N1	ZINC000587745180	HJ	Annotated	Anodyne	
CCc1ccccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587745393	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N)cc2)N1	ZINC000587745394	HJ	Annotated	Anodyne	
CCc1ccccc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587745395	HJ	Annotated	Anodyne	
CCc1ccccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587745396	HJ	Annotated	Anodyne	
CCc1ccccc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587745397	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N)cc2)N1	ZINC000587745400	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N)cc2)N1	ZINC000587745402	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N)cc2)N1	ZINC000587745404	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587745405	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587745407	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587745410	HJ	Annotated	Anodyne	
Cc1cccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587745412	HJ	Annotated	Anodyne	
CCC(=O)Nc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587745474	HJ	Annotated	Anodyne	
CCC(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587745476	HJ	Annotated	Anodyne	
CCC(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587745477	HJ	Annotated	Anodyne	
CCC(=O)Nc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587745479	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N)cc2)N1	ZINC000587745578	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N)cc2)N1	ZINC000587745581	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N)cc2)N1	ZINC000587745585	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N)cc2)N1	ZINC000587745589	HJ	Annotated	Anodyne	
Cc1ccc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1	ZINC000587745646	HJ	Annotated	Bother	
Cc1ccc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1	ZINC000587745651	HJ	Annotated	Bother	
Cc1ccc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1	ZINC000587745653	HJ	Annotated	Bother	
Cc1ccc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1	ZINC000587745656	HJ	Annotated	Bother	
CC(C)C(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587745659	HJ	Annotated	Anodyne	
CC(C)C(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587745662	HJ	Annotated	Anodyne	
CC(C)C(=O)Nc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587745664	HJ	Annotated	Anodyne	
CC(C)C(=O)Nc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587745668	HJ	Annotated	Anodyne	
CCc1cc([N+](=O)[O-])c(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587745674	HJ	Annotated	Clean	
CCc1cc([N+](=O)[O-])c(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587745677	HJ	Annotated	Clean	
CCc1cc([N+](=O)[O-])c(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587745680	HJ	Annotated	Clean	
CCc1cc([N+](=O)[O-])c(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587745682	HJ	Annotated	Clean	
CC(C)C(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587745907	HJ	Annotated	Anodyne	
CC(C)C(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587745910	HJ	Annotated	Anodyne	
CC(C)C(=O)Nc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587745913	HJ	Annotated	Anodyne	
CC(C)C(=O)Nc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587745917	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1	ZINC000587745993	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1	ZINC000587745995	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1	ZINC000587745996	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1	ZINC000587745997	HJ	Annotated	Anodyne	
CCc1cc([N+](=O)[O-])c(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587746023	HJ	Annotated	Clean	
CCc1cc([N+](=O)[O-])c(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587746024	HJ	Annotated	Clean	
CCc1cc([N+](=O)[O-])c(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587746025	HJ	Annotated	Clean	
CCc1cc([N+](=O)[O-])c(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587746026	HJ	Annotated	Clean	
CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	ZINC000587746054	HJ	Annotated	Bother	
CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	ZINC000587746055	HJ	Annotated	Bother	
CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	ZINC000587746056	HJ	Annotated	Bother	
CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	ZINC000587746057	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(N)c2)N1	ZINC000587746104	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(N)c2)N1	ZINC000587746107	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(N)c2)N1	ZINC000587746109	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(N)c2)N1	ZINC000587746110	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(N)cc12	ZINC000587746111	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(N)cc12	ZINC000587746112	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(N)cc12	ZINC000587746114	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(N)cc12	ZINC000587746116	HJ	Annotated	Anodyne	
CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	ZINC000587746126	HJ	Annotated	Bother	
CCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	ZINC000587746130	HJ	Annotated	Bother	
CCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	ZINC000587746132	HJ	Annotated	Bother	
CCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	ZINC000587746134	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2NC(=O)C(C)(C)C)N1	ZINC000587746175	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2NC(=O)C(C)(C)C)N1	ZINC000587746176	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2NC(=O)C(C)(C)C)N1	ZINC000587746177	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2NC(=O)C(C)(C)C)N1	ZINC000587746178	HJ	Annotated	Anodyne	
CCc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587746179	HJ	Annotated	Anodyne	
CCc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587746180	HJ	Annotated	Anodyne	
CCc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587746181	HJ	Annotated	Anodyne	
CCc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587746182	HJ	Annotated	Anodyne	
Cc1cc(C)cc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587746257	HJ	Annotated	Anodyne	
Cc1cc(C)cc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587746258	HJ	Annotated	Anodyne	
Cc1cc(C)cc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587746259	HJ	Annotated	Anodyne	
Cc1cc(C)cc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587746260	HJ	Annotated	Anodyne	
Cc1[nH]c2ccccc2c(=N)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587746303	HJ	Annotated	Anodyne	
Cc1[nH]c2ccccc2c(=N)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587746310	HJ	Annotated	Anodyne	
Cc1[nH]c2ccccc2c(=N)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587746313	HJ	Annotated	Anodyne	
Cc1[nH]c2ccccc2c(=N)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587746315	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1cccc(N)c12	ZINC000587746439	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1cccc(N)c12	ZINC000587746442	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1cccc(N)c12	ZINC000587746444	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc([N+](=O)[O-])c2)(C2CC2)N1	ZINC000587746457	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc([N+](=O)[O-])c2)(C2CC2)N1	ZINC000587746459	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc([N+](=O)[O-])c2)(C2CC2)N1	ZINC000587746461	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc([N+](=O)[O-])c2)(C2CC2)N1	ZINC000587746463	HJ	Annotated	Bother	
CCc1ccccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587746511	HJ	Annotated	Anodyne	
CCc1ccccc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587746512	HJ	Annotated	Anodyne	
CCc1ccccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587746513	HJ	Annotated	Anodyne	
CCc1ccccc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587746514	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C(\N)c2ccco2)(C(C)(C)C)N1	ZINC000587746549	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C(/N)c2ccco2)(C(C)(C)C)N1	ZINC000587746550	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C(/N)c2ccco2)(C(C)(C)C)N1	ZINC000587746551	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C(\N)c2ccco2)(C(C)(C)C)N1	ZINC000587746552	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1cccc(N)c12	ZINC000587746613	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1c(N)cccc12	ZINC000587746634	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1c(N)cccc12	ZINC000587746635	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1c(N)cccc12	ZINC000587746636	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1c(N)cccc12	ZINC000587746637	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(N)c2)N1	ZINC000587746666	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(N)c2)N1	ZINC000587746667	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(N)c2)N1	ZINC000587746668	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(N)c2)N1	ZINC000587746669	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3ccc(N)cc32)N1	ZINC000587746679	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3ccc(N)cc32)N1	ZINC000587746680	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3ccc(N)cc32)N1	ZINC000587746681	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3ccc(N)cc32)N1	ZINC000587746682	HJ	Annotated	Anodyne	
Cc1[nH]c2ccccc2c(=N)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587746784	HJ	Annotated	Anodyne	
Cc1[nH]c2ccccc2c(=N)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587746785	HJ	Annotated	Anodyne	
Cc1[nH]c2ccccc2c(=N)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587746788	HJ	Annotated	Anodyne	
Cc1[nH]c2ccccc2c(=N)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587746792	HJ	Annotated	Anodyne	
Cc1ccc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1	ZINC000587747142	HJ	Annotated	Bother	
Cc1ccc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1	ZINC000587747143	HJ	Annotated	Bother	
Cc1ccc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1	ZINC000587747145	HJ	Annotated	Bother	
Cc1ccc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1	ZINC000587747147	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2N)N1	ZINC000587747235	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2N)N1	ZINC000587747236	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2N)N1	ZINC000587747237	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2N)N1	ZINC000587747238	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(N)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)oc2n1	ZINC000587747365	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(N)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)oc2n1	ZINC000587747367	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(N)c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)oc2n1	ZINC000587747369	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(N)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)oc2n1	ZINC000587747371	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3ccc(N)cc32)N1	ZINC000587747393	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3ccc(N)cc32)N1	ZINC000587747396	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3ccc(N)cc32)N1	ZINC000587747398	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3ccc(N)cc32)N1	ZINC000587747401	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(N)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)oc2n1	ZINC000587747665	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(N)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)oc2n1	ZINC000587747670	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(N)c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)oc2n1	ZINC000587747672	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(N)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)oc2n1	ZINC000587747674	HJ	Annotated	Anodyne	
CC[C@]1(C)C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(N)ccc2O1	ZINC000587747720	HJ	Annotated	Anodyne	
CC[C@]1(C)C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(N)ccc2O1	ZINC000587747721	HJ	Annotated	Anodyne	
CC[C@]1(C)C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(N)ccc2O1	ZINC000587747723	HJ	Annotated	Anodyne	
CC[C@]1(C)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(N)ccc2O1	ZINC000587747725	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc([N+](=O)[O-])c2)(C2CC2)N1	ZINC000587747870	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc([N+](=O)[O-])c2)(C2CC2)N1	ZINC000587747872	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc([N+](=O)[O-])c2)(C2CC2)N1	ZINC000587747874	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc([N+](=O)[O-])c2)(C2CC2)N1	ZINC000587747876	HJ	Annotated	Bother	
COc1c([N+](=O)[O-])cc(C)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587747956	HJ	Annotated	Bother	
COc1c([N+](=O)[O-])cc(C)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587747957	HJ	Annotated	Bother	
COc1c([N+](=O)[O-])cc(C)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587747958	HJ	Annotated	Bother	
COc1c([N+](=O)[O-])cc(C)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587747959	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1cc(N)ccc12	ZINC000587748168	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1cc(N)ccc12	ZINC000587748169	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1cc(N)ccc12	ZINC000587748170	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1cc(N)ccc12	ZINC000587748171	HJ	Annotated	Anodyne	
COc1c([N+](=O)[O-])cc(C)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587748277	HJ	Annotated	Bother	
COc1c([N+](=O)[O-])cc(C)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587748279	HJ	Annotated	Bother	
COc1c([N+](=O)[O-])cc(C)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587748281	HJ	Annotated	Bother	
COc1c([N+](=O)[O-])cc(C)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587748283	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1cc(N)ccc12	ZINC000587748510	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1cc(N)ccc12	ZINC000587748513	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1cc(N)ccc12	ZINC000587748515	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1cc(N)ccc12	ZINC000587748518	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cccc([N+](=O)[O-])c23)N1	ZINC000587748638	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cccc([N+](=O)[O-])c23)N1	ZINC000587748639	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cccc([N+](=O)[O-])c23)N1	ZINC000587748640	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cccc([N+](=O)[O-])c23)N1	ZINC000587748641	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1cccc(N)c12	ZINC000587748706	HJ	Annotated	Anodyne	
CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	ZINC000587748707	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1cccc(N)c12	ZINC000587748708	HJ	Annotated	Anodyne	
CCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	ZINC000587748709	HJ	Annotated	Bother	
CCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	ZINC000587748710	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1cccc(N)c12	ZINC000587748711	HJ	Annotated	Anodyne	
CCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	ZINC000587748712	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1cccc(N)c12	ZINC000587748714	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(c3occc3N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587748854	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(c3occc3N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587748855	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(c3occc3N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587748857	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(c3occc3N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587748859	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1	ZINC000587748902	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1	ZINC000587748903	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1	ZINC000587748904	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1	ZINC000587748905	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ccc([N+](=O)[O-])cc23)N1	ZINC000587748972	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ccc([N+](=O)[O-])cc23)N1	ZINC000587748973	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ccc([N+](=O)[O-])cc23)N1	ZINC000587748974	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ccc([N+](=O)[O-])cc23)N1	ZINC000587748975	HJ	Annotated	Bother	
CCOc1ccc([N+](=O)[O-])cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587749096	HJ	Annotated	Bother	
CCOc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587749097	HJ	Annotated	Bother	
CCOc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587749099	HJ	Annotated	Bother	
CCOc1ccc([N+](=O)[O-])cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587749100	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)N1	ZINC000587749144	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NC2CCCCCC2)N1	ZINC000587749145	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)N1	ZINC000587749146	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)N1	ZINC000587749147	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)N1	ZINC000587749148	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NC2CCCCCC2)N1	ZINC000587749154	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NC2CCCCCC2)N1	ZINC000587749157	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NC2CCCCCC2)N1	ZINC000587749160	HJ	Annotated	Anodyne	
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587749210	HJ	Annotated	Bother	
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587749211	HJ	Annotated	Bother	
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587749212	HJ	Annotated	Bother	
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587749213	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)c3ccc([N+](=O)[O-])cc32)N1	ZINC000587749234	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)c3ccc([N+](=O)[O-])cc32)N1	ZINC000587749235	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)c3ccc([N+](=O)[O-])cc32)N1	ZINC000587749236	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)c3ccc([N+](=O)[O-])cc32)N1	ZINC000587749237	HJ	Annotated	Bother	
C=CCn1c(C)cc([C@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587749256	HJ	Annotated	Mild	
C=CCn1c(C)cc([C@@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587749257	HJ	Annotated	Mild	
C=CCn1c(C)cc([C@@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587749258	HJ	Annotated	Mild	
C=CCn1c(C)cc([C@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587749259	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C(\N)c2ccco2)(C(C)(C)C)N1	ZINC000587749370	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C(/N)c2ccco2)(C(C)(C)C)N1	ZINC000587749371	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C(\N)c2ccco2)(C(C)(C)C)N1	ZINC000587749373	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C(/N)c2ccco2)(C(C)(C)C)N1	ZINC000587749374	HJ	Annotated	Anodyne	
CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	ZINC000587749502	HJ	Annotated	Bother	
CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	ZINC000587749504	HJ	Annotated	Bother	
CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	ZINC000587749505	HJ	Annotated	Bother	
CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	ZINC000587749506	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])c3cccnc23)N1	ZINC000587749600	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])c3cccnc23)N1	ZINC000587749606	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])c3cccnc23)N1	ZINC000587749607	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])c3cccnc23)N1	ZINC000587749608	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3c([N+](=O)[O-])cccc23)N1	ZINC000587750286	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3c([N+](=O)[O-])cccc23)N1	ZINC000587750287	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3c([N+](=O)[O-])cccc23)N1	ZINC000587750288	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3c([N+](=O)[O-])cccc23)N1	ZINC000587750289	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cccc([N+](=O)[O-])c23)N1	ZINC000587750362	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cccc([N+](=O)[O-])c23)N1	ZINC000587750363	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cccc([N+](=O)[O-])c23)N1	ZINC000587750365	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cccc([N+](=O)[O-])c23)N1	ZINC000587750366	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc([N+](=O)[O-])cc3CC2)N1	ZINC000587750481	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc([N+](=O)[O-])cc3CC2)N1	ZINC000587750484	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc([N+](=O)[O-])cc3CC2)N1	ZINC000587750485	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc([N+](=O)[O-])cc3CC2)N1	ZINC000587750487	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NC2CCCCCC2)N1	ZINC000587750518	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NC2CCCCCC2)N1	ZINC000587750520	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NC2CCCCCC2)N1	ZINC000587750522	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NC2CCCCCC2)N1	ZINC000587750524	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@H]1CCCO1	ZINC000587750593	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@H]1CCCO1	ZINC000587750594	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@@H]1CCCO1	ZINC000587750595	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@@H]1CCCO1	ZINC000587750597	HJ	Annotated	Anodyne	
C=CCn1c(C)cc([C@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587750629	HJ	Annotated	Mild	
C=CCn1c(C)cc([C@@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587750630	HJ	Annotated	Mild	
C=CCn1c(C)cc([C@@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587750633	HJ	Annotated	Mild	
C=CCn1c(C)cc([C@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587750634	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccc([N+](=O)[O-])c3n2)N1	ZINC000587750649	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccc([N+](=O)[O-])c3n2)N1	ZINC000587750651	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccc([N+](=O)[O-])c3n2)N1	ZINC000587750653	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccc([N+](=O)[O-])c3n2)N1	ZINC000587750654	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c3cccnc23)N1	ZINC000587750655	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c3cccnc23)N1	ZINC000587750656	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c3cccnc23)N1	ZINC000587750657	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c3cccnc23)N1	ZINC000587750658	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccc([N+](=O)[O-])cc32)N1	ZINC000587750779	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccc([N+](=O)[O-])cc32)N1	ZINC000587750781	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccc([N+](=O)[O-])cc32)N1	ZINC000587750783	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccc([N+](=O)[O-])cc32)N1	ZINC000587750785	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c([N+](=O)[O-])cccc3cn2)N1	ZINC000587751230	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c([N+](=O)[O-])cccc3cn2)N1	ZINC000587751232	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c([N+](=O)[O-])cccc3cn2)N1	ZINC000587751233	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c([N+](=O)[O-])cccc3cn2)N1	ZINC000587751235	HJ	Annotated	Bother	
Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@H]1CCCO1	ZINC000587751245	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@H]1CCCO1	ZINC000587751247	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@@H]1CCCO1	ZINC000587751249	HJ	Annotated	Anodyne	
Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@@H]1CCCO1	ZINC000587751251	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1	ZINC000587751419	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1	ZINC000587751420	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1	ZINC000587751421	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1	ZINC000587751422	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc([N+](=O)[O-])ccc3o2)N1	ZINC000587751435	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc([N+](=O)[O-])ccc3o2)N1	ZINC000587751436	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc([N+](=O)[O-])ccc3o2)N1	ZINC000587751437	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc([N+](=O)[O-])ccc3o2)N1	ZINC000587751438	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccnc3c2[N+](=O)[O-])N1	ZINC000587751495	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccnc3c2[N+](=O)[O-])N1	ZINC000587751496	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccnc3c2[N+](=O)[O-])N1	ZINC000587751497	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccnc3c2[N+](=O)[O-])N1	ZINC000587751498	HJ	Annotated	Bother	
CCn1ccnc1[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587751616	HJ	Annotated	Anodyne	
CCn1ccnc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587751623	HJ	Annotated	Anodyne	
CCn1ccnc1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587751625	HJ	Annotated	Anodyne	
CCn1ccnc1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587751627	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ccc([N+](=O)[O-])cc23)N1	ZINC000587751660	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ccc([N+](=O)[O-])cc23)N1	ZINC000587751661	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ccc([N+](=O)[O-])cc23)N1	ZINC000587751664	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ccc([N+](=O)[O-])cc23)N1	ZINC000587751666	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3ccnc3)cc2)N1	ZINC000587751670	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3ccnc3)cc2)N1	ZINC000587751697	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3ccnc3)cc2)N1	ZINC000587751699	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3ccnc3)cc2)N1	ZINC000587751701	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2N)N1	ZINC000587751724	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2N)N1	ZINC000587751727	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc([N+](=O)[O-])ccc3n2)N1	ZINC000587751728	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc([N+](=O)[O-])ccc3n2)N1	ZINC000587751731	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc([N+](=O)[O-])ccc3n2)N1	ZINC000587751733	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc([N+](=O)[O-])ccc3n2)N1	ZINC000587751735	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2N)N1	ZINC000587751736	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2N)N1	ZINC000587751740	HJ	Annotated	Anodyne	
Cc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1-c1ccccc1	ZINC000587751812	HJ	Annotated	Anodyne	
Cc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1-c1ccccc1	ZINC000587751815	HJ	Annotated	Anodyne	
Cc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1-c1ccccc1	ZINC000587751817	HJ	Annotated	Anodyne	
Cc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1-c1ccccc1	ZINC000587751818	HJ	Annotated	Anodyne	
Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1-c1cccnc1	ZINC000587751819	HJ	Annotated	Anodyne	
Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1-c1cccnc1	ZINC000587751821	HJ	Annotated	Anodyne	
Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1-c1cccnc1	ZINC000587751822	HJ	Annotated	Anodyne	
Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1-c1cccnc1	ZINC000587751823	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1	ZINC000587751995	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1	ZINC000587751996	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1	ZINC000587751997	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1	ZINC000587751998	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccccc2C#N)N1	ZINC000587752016	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccccc2C#N)N1	ZINC000587752021	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccccc2C#N)N1	ZINC000587752023	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccccc2C#N)N1	ZINC000587752025	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-n2ccnc2)N1	ZINC000587752040	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-n2ccnc2)N1	ZINC000587752041	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-n2ccnc2)N1	ZINC000587752042	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-n2ccnc2)N1	ZINC000587752043	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC[C@@H]2Cn2ccnc2)N1	ZINC000587752077	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC[C@H]2Cn2ccnc2)N1	ZINC000587752080	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC[C@@H]2Cn2ccnc2)N1	ZINC000587752082	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC[C@H]2Cn2ccnc2)N1	ZINC000587752083	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3ccnc3)cc2)N1	ZINC000587752100	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3ccnc3)cc2)N1	ZINC000587752101	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3ccnc3)cc2)N1	ZINC000587752102	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3ccnc3)cc2)N1	ZINC000587752103	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccccc3)n2C)N1	ZINC000587752127	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccccc3)n2C)N1	ZINC000587752128	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccccc3)n2C)N1	ZINC000587752129	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccccc3)n2C)N1	ZINC000587752130	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC(C)(C)NC(=O)OC(C)(C)C)N1	ZINC000587752183	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC(C)(C)NC(=O)OC(C)(C)C)N1	ZINC000587752184	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CC(C)(C)NC(=O)OC(C)(C)C)N1	ZINC000587752185	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CC(C)(C)NC(=O)OC(C)(C)C)N1	ZINC000587752186	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@H](C)NC(=O)OC(C)(C)C)N1	ZINC000587752259	HJ	Annotated	Anodyne	
C[C@H](C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)NC(=O)OC(C)(C)C	ZINC000587752260	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H](C)NC(=O)OC(C)(C)C)N1	ZINC000587752261	HJ	Annotated	Anodyne	
C[C@H](C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)NC(=O)OC(C)(C)C	ZINC000587752262	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ncccc3c2[N+](=O)[O-])N1	ZINC000587752271	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ncccc3c2[N+](=O)[O-])N1	ZINC000587752272	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ncccc3c2[N+](=O)[O-])N1	ZINC000587752273	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ncccc3c2[N+](=O)[O-])N1	ZINC000587752274	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc([N+](=O)[O-])ccc3o2)N1	ZINC000587752360	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc([N+](=O)[O-])ccc3o2)N1	ZINC000587752362	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc([N+](=O)[O-])ccc3o2)N1	ZINC000587752364	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc([N+](=O)[O-])ccc3o2)N1	ZINC000587752366	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2CCc2ccncc2)N1	ZINC000587752391	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2CCc2ccncc2)N1	ZINC000587752392	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2CCc2ccncc2)N1	ZINC000587752393	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2CCc2ccncc2)N1	ZINC000587752394	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587752439	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587752440	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587752441	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587752442	HJ	Annotated	Anodyne	
Cc1cccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587752455	HJ	Annotated	Anodyne	
Cc1cccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587752456	HJ	Annotated	Anodyne	
Cc1cccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587752457	HJ	Annotated	Anodyne	
Cc1cccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587752458	HJ	Annotated	Anodyne	
Cc1cc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)no1	ZINC000587752589	HJ	Annotated	Anodyne	
Cc1cc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)no1	ZINC000587752591	HJ	Annotated	Anodyne	
Cc1cc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)no1	ZINC000587752592	HJ	Annotated	Anodyne	
Cc1cc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)no1	ZINC000587752594	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3c([N+](=O)[O-])cccc23)N1	ZINC000587752650	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3c([N+](=O)[O-])cccc23)N1	ZINC000587752651	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3c([N+](=O)[O-])cccc23)N1	ZINC000587752653	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3c([N+](=O)[O-])cccc23)N1	ZINC000587752654	HJ	Annotated	Bother	
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587752655	HJ	Annotated	Bother	
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587752656	HJ	Annotated	Bother	
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587752658	HJ	Annotated	Bother	
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587752659	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccc([N+](=O)[O-])c3n2)N1	ZINC000587752660	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccc([N+](=O)[O-])c3n2)N1	ZINC000587752662	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccc([N+](=O)[O-])c3n2)N1	ZINC000587752663	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccc([N+](=O)[O-])c3n2)N1	ZINC000587752664	HJ	Annotated	Bother	
Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1-c1cccnc1	ZINC000587752710	HJ	Annotated	Anodyne	
Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1-c1cccnc1	ZINC000587752712	HJ	Annotated	Anodyne	
Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1-c1cccnc1	ZINC000587752714	HJ	Annotated	Anodyne	
Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1-c1cccnc1	ZINC000587752715	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2CCc2ccccn2)N1	ZINC000587752794	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2CCc2ccccn2)N1	ZINC000587752795	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2CCc2ccccn2)N1	ZINC000587752796	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2CCc2ccccn2)N1	ZINC000587752797	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccnc3c2[N+](=O)[O-])N1	ZINC000587752878	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccnc3c2[N+](=O)[O-])N1	ZINC000587752879	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccnc3c2[N+](=O)[O-])N1	ZINC000587752880	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccnc3c2[N+](=O)[O-])N1	ZINC000587752881	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc3cccnc23)N1	ZINC000587752902	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc3cccnc23)N1	ZINC000587752904	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc3cccnc23)N1	ZINC000587752907	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc3cccnc23)N1	ZINC000587752908	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c([N+](=O)[O-])cccc3cn2)N1	ZINC000587752909	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c([N+](=O)[O-])cccc3cn2)N1	ZINC000587752910	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c([N+](=O)[O-])cccc3cn2)N1	ZINC000587752911	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c([N+](=O)[O-])cccc3cn2)N1	ZINC000587752913	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2Cc2ccccc2C#N)N1	ZINC000587753004	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2Cc2ccccc2C#N)N1	ZINC000587753008	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2Cc2ccccc2C#N)N1	ZINC000587753009	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2Cc2ccccc2C#N)N1	ZINC000587753011	HJ	Annotated	Mild	
Cc1cccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587753032	HJ	Annotated	Anodyne	
Cc1cccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587753033	HJ	Annotated	Anodyne	
Cc1cccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587753034	HJ	Annotated	Anodyne	
Cc1cccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587753035	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587753081	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587753082	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587753084	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587753085	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccccc3)n2C)N1	ZINC000587753122	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccccc3)n2C)N1	ZINC000587753125	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccccc3)n2C)N1	ZINC000587753127	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccccc3)n2C)N1	ZINC000587753129	HJ	Annotated	Anodyne	
CC(C)C[C@@H](C(=O)O)n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587753140	HJ	Annotated	Anodyne	
CC(C)C[C@@H](C(=O)O)n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587753145	HJ	Annotated	Anodyne	
CC(C)C[C@@H](C(=O)O)n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587753146	HJ	Annotated	Anodyne	
CC(C)C[C@@H](C(=O)O)n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587753148	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1	ZINC000587753266	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1	ZINC000587753268	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1	ZINC000587753271	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1	ZINC000587753273	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc3cccnc23)N1	ZINC000587753372	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc3cccnc23)N1	ZINC000587753373	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc3cccnc23)N1	ZINC000587753374	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc3cccnc23)N1	ZINC000587753376	HJ	Annotated	Bother	
COc1ccc2c(c1)cc([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)n2C	ZINC000587753525	HJ	Annotated	Anodyne	
COc1ccc2c(c1)cc([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)n2C	ZINC000587753530	HJ	Annotated	Anodyne	
COc1ccc2c(c1)cc([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)n2C	ZINC000587753531	HJ	Annotated	Anodyne	
COc1ccc2c(c1)cc([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)n2C	ZINC000587753532	HJ	Annotated	Anodyne	
CCOc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)nn1CC(C)C	ZINC000587753594	HJ	Annotated	Anodyne	
CCOc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)nn1CC(C)C	ZINC000587753611	HJ	Annotated	Anodyne	
CCOc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)nn1CC(C)C	ZINC000587753614	HJ	Annotated	Anodyne	
CCOc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)nn1CC(C)C	ZINC000587753618	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ncccc3c2[N+](=O)[O-])N1	ZINC000587753667	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ncccc3c2[N+](=O)[O-])N1	ZINC000587753668	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ncccc3c2[N+](=O)[O-])N1	ZINC000587753669	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ncccc3c2[N+](=O)[O-])N1	ZINC000587753670	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc([N+](=O)[O-])ccc3n2)N1	ZINC000587753739	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc([N+](=O)[O-])ccc3n2)N1	ZINC000587753742	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc([N+](=O)[O-])ccc3n2)N1	ZINC000587753745	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc([N+](=O)[O-])ccc3n2)N1	ZINC000587753747	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2C(=O)OC(C)(C)C)N1	ZINC000587753813	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2C(=O)OC(C)(C)C)N1	ZINC000587753814	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2C(=O)OC(C)(C)C)N1	ZINC000587753815	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2C(=O)OC(C)(C)C)N1	ZINC000587753816	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cccc(C#N)c2)N1	ZINC000587753853	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cccc(C#N)c2)N1	ZINC000587753854	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cccc(C#N)c2)N1	ZINC000587753855	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cccc(C#N)c2)N1	ZINC000587753856	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc([N+](=O)[O-])cc3CC2)N1	ZINC000587754052	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc([N+](=O)[O-])cc3CC2)N1	ZINC000587754053	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc([N+](=O)[O-])cc3CC2)N1	ZINC000587754054	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc([N+](=O)[O-])cc3CC2)N1	ZINC000587754056	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccc([N+](=O)[O-])cc32)N1	ZINC000587754092	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccc([N+](=O)[O-])cc32)N1	ZINC000587754095	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccc([N+](=O)[O-])cc32)N1	ZINC000587754097	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccc([N+](=O)[O-])cc32)N1	ZINC000587754098	HJ	Annotated	Bother	
CC[C@@]1(c2ccc3c(c2)cc(O)n3C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587754187	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc3c(c2)cc(O)n3C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587754188	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc3c(c2)cc(O)n3C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587754189	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc3c(c2)cc(O)n3C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587754190	HJ	Annotated	Anodyne	
COc1cccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n(C)c12	ZINC000587754191	HJ	Annotated	Anodyne	
COc1cccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n(C)c12	ZINC000587754192	HJ	Annotated	Anodyne	
COc1cccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n(C)c12	ZINC000587754193	HJ	Annotated	Anodyne	
COc1cccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n(C)c12	ZINC000587754194	HJ	Annotated	Anodyne	
Cc1cccnc1-n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587754358	HJ	Annotated	Anodyne	
Cc1cccnc1-n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587754361	HJ	Annotated	Anodyne	
Cc1cccnc1-n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587754363	HJ	Annotated	Anodyne	
Cc1cccnc1-n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587754365	HJ	Annotated	Anodyne	
Cc1cc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)no1	ZINC000587754397	HJ	Annotated	Anodyne	
Cc1cc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)no1	ZINC000587754400	HJ	Annotated	Anodyne	
Cc1cc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)no1	ZINC000587754402	HJ	Annotated	Anodyne	
Cc1cc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)no1	ZINC000587754403	HJ	Annotated	Anodyne	
COc1ccc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn(C)c2c1	ZINC000587754415	HJ	Annotated	Anodyne	
COc1ccc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn(C)c2c1	ZINC000587754417	HJ	Annotated	Anodyne	
COc1ccc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn(C)c2c1	ZINC000587754418	HJ	Annotated	Anodyne	
COc1ccc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn(C)c2c1	ZINC000587754420	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)cc(O)n3C)N1	ZINC000587754422	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)cc(O)n3C)N1	ZINC000587754424	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)cc(O)n3C)N1	ZINC000587754427	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)cc(O)n3C)N1	ZINC000587754430	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c([N+](=O)[O-])cccc32)N1	ZINC000587754467	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c([N+](=O)[O-])cccc32)N1	ZINC000587754469	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c([N+](=O)[O-])cccc32)N1	ZINC000587754473	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c([N+](=O)[O-])cccc32)N1	ZINC000587754475	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c([N+](=O)[O-])cccc32)N1	ZINC000587754627	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c([N+](=O)[O-])cccc32)N1	ZINC000587754628	HJ	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c([N+](=O)[O-])cccc32)N1	ZINC000587754629	HJ	Annotated	Bother	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c([N+](=O)[O-])cccc32)N1	ZINC000587754630	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)c3ccc([N+](=O)[O-])cc32)N1	ZINC000587754673	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)c3ccc([N+](=O)[O-])cc32)N1	ZINC000587754674	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)c3ccc([N+](=O)[O-])cc32)N1	ZINC000587754675	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)c3ccc([N+](=O)[O-])cc32)N1	ZINC000587754676	HJ	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@H](C)NC(=O)OC(C)(C)C)N1	ZINC000587754705	HJ	Annotated	Anodyne	
C[C@H](C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)NC(=O)OC(C)(C)C	ZINC000587754706	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](C)NC(=O)OC(C)(C)C)N1	ZINC000587754708	HJ	Annotated	Anodyne	
C[C@H](C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)NC(=O)OC(C)(C)C	ZINC000587754709	HJ	Annotated	Anodyne	
C[C@H](NC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1	ZINC000587754742	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)N[C@H](C)c2ccccc2)N1	ZINC000587754745	HJ	Annotated	Anodyne	
C[C@H](NC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1	ZINC000587754746	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)N[C@H](C)c2ccccc2)N1	ZINC000587754748	HJ	Annotated	Anodyne	
Cc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1-c1ccccc1	ZINC000587754827	HJ	Annotated	Anodyne	
Cc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1-c1ccccc1	ZINC000587754829	HJ	Annotated	Anodyne	
Cc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1-c1ccccc1	ZINC000587754831	HJ	Annotated	Anodyne	
Cc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1-c1ccccc1	ZINC000587754833	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c(-c3ccccc3)n2)N1	ZINC000587754835	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c(-c3ccccc3)n2)N1	ZINC000587754837	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)c(-c3ccccc3)n2)N1	ZINC000587754839	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)c(-c3ccccc3)n2)N1	ZINC000587754841	HJ	Annotated	Anodyne	
COc1ccc2c(c1)c([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2C	ZINC000587754881	HJ	Annotated	Anodyne	
COc1ccc2c(c1)c([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2C	ZINC000587754882	HJ	Annotated	Anodyne	
COc1ccc2c(c1)c([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)cn2C	ZINC000587754883	HJ	Annotated	Anodyne	
COc1ccc2c(c1)c([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)cn2C	ZINC000587754884	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)cc(O)n3C)N1	ZINC000587754949	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)cc(O)n3C)N1	ZINC000587754950	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)cc(O)n3C)N1	ZINC000587754951	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)cc(O)n3C)N1	ZINC000587754952	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587754993	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587754994	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587754995	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587754996	HJ	Annotated	Anodyne	
CC(C)C[C@@H](C(=O)O)n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587755062	HJ	Annotated	Anodyne	
CC(C)C[C@@H](C(=O)O)n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587755064	HJ	Annotated	Anodyne	
CC(C)C[C@@H](C(=O)O)n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587755066	HJ	Annotated	Anodyne	
CC(C)C[C@@H](C(=O)O)n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587755068	HJ	Annotated	Anodyne	
CCCCC[C@@]1(c2cn(C)nc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587755249	HJ	Annotated	Anodyne	
CCCCC[C@]1(c2cn(C)nc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587755250	HJ	Annotated	Anodyne	
CCCCC[C@@]1(c2cn(C)nc2C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587755251	HJ	Annotated	Anodyne	
CCCCC[C@]1(c2cn(C)nc2C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587755252	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2CCc2ccccn2)N1	ZINC000587755327	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2CCc2ccccn2)N1	ZINC000587755328	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2CCc2ccccn2)N1	ZINC000587755330	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2CCc2ccccn2)N1	ZINC000587755332	HJ	Annotated	Anodyne	
Cc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1	ZINC000587755357	HJ	Annotated	Anodyne	
Cc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1	ZINC000587755358	HJ	Annotated	Anodyne	
Cc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1	ZINC000587755359	HJ	Annotated	Anodyne	
Cc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1	ZINC000587755360	HJ	Annotated	Anodyne	
Cc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1	ZINC000587755405	HJ	Annotated	Anodyne	
Cc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1	ZINC000587755407	HJ	Annotated	Anodyne	
Cc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1	ZINC000587755409	HJ	Annotated	Anodyne	
Cc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1	ZINC000587755410	HJ	Annotated	Anodyne	
Cc1ccccc1-n1nccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587755558	HJ	Annotated	Anodyne	
Cc1ccccc1-n1nccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587755559	HJ	Annotated	Anodyne	
Cc1ccccc1-n1nccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587755561	HJ	Annotated	Anodyne	
Cc1ccccc1-n1nccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587755562	HJ	Annotated	Anodyne	
CC(=O)n1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21	ZINC000587755574	HJ	Annotated	Anodyne	
CC(=O)n1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21	ZINC000587755575	HJ	Annotated	Anodyne	
CC(=O)n1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21	ZINC000587755576	HJ	Annotated	Anodyne	
CC(=O)n1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21	ZINC000587755577	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)c(-c3ccccc3)n2)N1	ZINC000587755711	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)c(-c3ccccc3)n2)N1	ZINC000587755712	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)c(-c3ccccc3)n2)N1	ZINC000587755713	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)c(-c3ccccc3)n2)N1	ZINC000587755714	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC[C@@H]2Cn2ccnc2)N1	ZINC000587755783	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC[C@H]2Cn2ccnc2)N1	ZINC000587755785	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC[C@@H]2Cn2ccnc2)N1	ZINC000587755788	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC[C@H]2Cn2ccnc2)N1	ZINC000587755790	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnn2-c2ccccc2)N1	ZINC000587755881	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnn2-c2ccccc2)N1	ZINC000587755882	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnn2-c2ccccc2)N1	ZINC000587755883	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnn2-c2ccccc2)N1	ZINC000587755884	HJ	Annotated	Anodyne	
CC(=O)n1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21	ZINC000587755950	HJ	Annotated	Anodyne	
CC(=O)n1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21	ZINC000587755951	HJ	Annotated	Anodyne	
CC(=O)n1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21	ZINC000587755953	HJ	Annotated	Anodyne	
CC(=O)n1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21	ZINC000587755955	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(C#N)cc2)N1	ZINC000587756158	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(C#N)cc2)N1	ZINC000587756160	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(C#N)cc2)N1	ZINC000587756162	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(C#N)cc2)N1	ZINC000587756163	HJ	Annotated	Mild	
CCn1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21	ZINC000587756362	HJ	Annotated	Anodyne	
CCn1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21	ZINC000587756365	HJ	Annotated	Anodyne	
CCn1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21	ZINC000587756366	HJ	Annotated	Anodyne	
CCn1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21	ZINC000587756368	HJ	Annotated	Anodyne	
CC(C)n1ncc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc21	ZINC000587756448	HJ	Annotated	Anodyne	
CC(C)n1ncc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc21	ZINC000587756459	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc3c(c2)cc(O)n3C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587756460	HJ	Annotated	Anodyne	
CC(C)n1ncc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc21	ZINC000587756461	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc3c(c2)cc(O)n3C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587756462	HJ	Annotated	Anodyne	
CC(C)n1ncc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc21	ZINC000587756463	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc3c(c2)cc(O)n3C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587756464	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc3c(c2)cc(O)n3C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587756465	HJ	Annotated	Anodyne	
Cc1cccnc1-n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587756495	HJ	Annotated	Anodyne	
Cc1cccnc1-n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587756497	HJ	Annotated	Anodyne	
Cc1cccnc1-n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587756499	HJ	Annotated	Anodyne	
Cc1cccnc1-n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587756501	HJ	Annotated	Anodyne	
CCn1ccnc1[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587756579	HJ	Annotated	Anodyne	
CCn1ccnc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587756581	HJ	Annotated	Anodyne	
CCn1ccnc1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587756582	HJ	Annotated	Anodyne	
CCn1ccnc1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587756583	HJ	Annotated	Anodyne	
Cc1cc(-n2cccn2)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587756708	HJ	Annotated	Anodyne	
Cc1cc(-n2cccn2)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587756709	HJ	Annotated	Anodyne	
Cc1cc(-n2cccn2)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587756711	HJ	Annotated	Anodyne	
Cc1cc(-n2cccn2)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587756713	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cn(C)c3ccccc23)N1	ZINC000587756744	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cn(C)c3ccccc23)N1	ZINC000587756745	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cn(C)c3ccccc23)N1	ZINC000587756746	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cn(C)c3ccccc23)N1	ZINC000587756747	HJ	Annotated	Mild	
Cc1ccccc1-n1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587756759	HJ	Annotated	Anodyne	
Cc1ccccc1-n1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587756760	HJ	Annotated	Anodyne	
Cc1ccccc1-n1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587756762	HJ	Annotated	Anodyne	
Cc1ccccc1-n1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587756763	HJ	Annotated	Anodyne	
Cc1cccc(-n2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1	ZINC000587756846	HJ	Annotated	Anodyne	
Cc1cccc(-n2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1	ZINC000587756847	HJ	Annotated	Anodyne	
Cc1cccc(-n2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)c1	ZINC000587756849	HJ	Annotated	Anodyne	
Cc1cccc(-n2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)c1	ZINC000587756851	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC(C)(C)NC(=O)OC(C)(C)C)N1	ZINC000587756888	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CC(C)(C)NC(=O)OC(C)(C)C)N1	ZINC000587756889	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC(C)(C)NC(=O)OC(C)(C)C)N1	ZINC000587756890	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CC(C)(C)NC(=O)OC(C)(C)C)N1	ZINC000587756891	HJ	Annotated	Anodyne	
CCC[C@@]1(CNC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587756892	HJ	Annotated	Anodyne	
CCC[C@@]1(CNC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587756893	HJ	Annotated	Anodyne	
CCC[C@]1(CNC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587756894	HJ	Annotated	Anodyne	
CCC[C@]1(CNC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587756895	HJ	Annotated	Anodyne	
COc1cccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n(C)c12	ZINC000587757112	HJ	Annotated	Anodyne	
COc1cccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n(C)c12	ZINC000587757113	HJ	Annotated	Anodyne	
COc1cccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n(C)c12	ZINC000587757114	HJ	Annotated	Anodyne	
COc1cccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n(C)c12	ZINC000587757115	HJ	Annotated	Anodyne	
CC(C)n1ncc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc21	ZINC000587757181	HJ	Annotated	Anodyne	
CC(C)n1ncc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cnc21	ZINC000587757182	HJ	Annotated	Anodyne	
CC(C)n1ncc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cnc21	ZINC000587757183	HJ	Annotated	Anodyne	
CC(C)n1ncc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc21	ZINC000587757185	HJ	Annotated	Anodyne	
Cc1ccccc1-n1nccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587757193	HJ	Annotated	Anodyne	
Cc1ccccc1-n1nccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587757195	HJ	Annotated	Anodyne	
Cc1ccccc1-n1nccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587757197	HJ	Annotated	Anodyne	
Cc1ccccc1-n1nccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587757198	HJ	Annotated	Anodyne	
Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(-c2cnn(C)c2)c1	ZINC000587757287	HJ	Annotated	Anodyne	
Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(-c2cnn(C)c2)c1	ZINC000587757289	HJ	Annotated	Anodyne	
Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-c2cnn(C)c2)c1	ZINC000587757291	HJ	Annotated	Anodyne	
Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-c2cnn(C)c2)c1	ZINC000587757292	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2CCc2ccncc2)N1	ZINC000587757407	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2CCc2ccncc2)N1	ZINC000587757409	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2CCc2ccncc2)N1	ZINC000587757411	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2CCc2ccncc2)N1	ZINC000587757412	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cn(C)c3ccccc23)N1	ZINC000587757519	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cn(C)c3ccccc23)N1	ZINC000587757520	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cn(C)c3ccccc23)N1	ZINC000587757521	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cn(C)c3ccccc23)N1	ZINC000587757522	HJ	Annotated	Mild	
CCN1c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2C[C@@H]1C	ZINC000587757688	HJ	Annotated	Clean	
CCN1c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2C[C@@H]1C	ZINC000587757689	HJ	Annotated	Clean	
CCN1c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2C[C@H]1C	ZINC000587757690	HJ	Annotated	Clean	
CCN1c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2C[C@H]1C	ZINC000587757692	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cccc(C#N)c2)N1	ZINC000587757819	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccc(C#N)c2)N1	ZINC000587757823	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccc(C#N)c2)N1	ZINC000587757826	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cccc(C#N)c2)N1	ZINC000587757828	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-n2ccnc2)N1	ZINC000587757938	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-n2ccnc2)N1	ZINC000587757939	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-n2ccnc2)N1	ZINC000587757941	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-n2ccnc2)N1	ZINC000587757943	HJ	Annotated	Anodyne	
CCC[C@@]1(CNC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587757969	HJ	Annotated	Anodyne	
CCC[C@@]1(CNC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587757971	HJ	Annotated	Anodyne	
CCC[C@]1(CNC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587757974	HJ	Annotated	Anodyne	
CCC[C@]1(CNC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587757976	HJ	Annotated	Anodyne	
C[C@H](NC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1	ZINC000587757999	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)N[C@H](C)c2ccccc2)N1	ZINC000587758001	HJ	Annotated	Anodyne	
C[C@H](NC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1	ZINC000587758003	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)N[C@H](C)c2ccccc2)N1	ZINC000587758006	HJ	Annotated	Anodyne	
Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccccc2)nn1C	ZINC000587758136	HJ	Annotated	Anodyne	
Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccccc2)nn1C	ZINC000587758137	HJ	Annotated	Anodyne	
Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccccc2)nn1C	ZINC000587758138	HJ	Annotated	Anodyne	
Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccccc2)nn1C	ZINC000587758139	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)N1	ZINC000587758220	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)N1	ZINC000587758223	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)N1	ZINC000587758224	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)N1	ZINC000587758226	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccccc2C#N)N1	ZINC000587758475	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccccc2C#N)N1	ZINC000587758477	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccccc2C#N)N1	ZINC000587758479	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccccc2C#N)N1	ZINC000587758481	HJ	Annotated	Mild	
Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccccc2)nn1C	ZINC000587758499	HJ	Annotated	Anodyne	
Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccccc2)nn1C	ZINC000587758501	HJ	Annotated	Anodyne	
Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccccc2)nn1C	ZINC000587758502	HJ	Annotated	Anodyne	
Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccccc2)nn1C	ZINC000587758505	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cnn(C)c3)cc2)N1	ZINC000587758723	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cnn(C)c3)cc2)N1	ZINC000587758726	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cnn(C)c3)cc2)N1	ZINC000587758730	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cnn(C)c3)cc2)N1	ZINC000587758732	HJ	Annotated	Anodyne	
Cc1ccnc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587758736	HJ	Annotated	Anodyne	
Cc1ccnc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587758738	HJ	Annotated	Anodyne	
Cc1ccnc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587758739	HJ	Annotated	Anodyne	
Cc1ccnc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587758740	HJ	Annotated	Anodyne	
Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(-c2cnn(C)c2)c1	ZINC000587758791	HJ	Annotated	Anodyne	
Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(-c2cnn(C)c2)c1	ZINC000587758795	HJ	Annotated	Anodyne	
Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(-c2cnn(C)c2)c1	ZINC000587758799	HJ	Annotated	Anodyne	
Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(-c2cnn(C)c2)c1	ZINC000587758803	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587758859	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587758862	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587758864	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587758866	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(C#N)cc2)N1	ZINC000587758947	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(C#N)cc2)N1	ZINC000587758951	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(C#N)cc2)N1	ZINC000587758954	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(C#N)cc2)N1	ZINC000587758957	HJ	Annotated	Mild	
C[C@@H]1CN(Cc2ccccc2)C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587758991	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2ccccc2)C[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587758994	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2ccccc2)C[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587758999	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2ccccc2)C[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587759002	HJ	Annotated	Anodyne	
C=CCn1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21	ZINC000587759118	HJ	Annotated	Mild	
C=CCn1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21	ZINC000587759119	HJ	Annotated	Mild	
C=CCn1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21	ZINC000587759120	HJ	Annotated	Mild	
C=CCn1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21	ZINC000587759121	HJ	Annotated	Mild	
Cc1nccn1-c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587759166	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587759168	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587759169	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587759171	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2Cc2ccccc2C#N)N1	ZINC000587759190	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2Cc2ccccc2C#N)N1	ZINC000587759192	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2Cc2ccccc2C#N)N1	ZINC000587759193	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2Cc2ccccc2C#N)N1	ZINC000587759195	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2C(=O)OC(C)(C)C)N1	ZINC000587759197	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2C(=O)OC(C)(C)C)N1	ZINC000587759199	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2C(=O)OC(C)(C)C)N1	ZINC000587759201	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2C(=O)OC(C)(C)C)N1	ZINC000587759203	HJ	Annotated	Anodyne	
Cc1ccnc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587759228	HJ	Annotated	Anodyne	
Cc1ccnc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587759230	HJ	Annotated	Anodyne	
Cc1ccnc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587759232	HJ	Annotated	Anodyne	
Cc1ccnc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587759233	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587759253	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587759254	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587759255	HJ	Annotated	Anodyne	
Cc1nccn1-c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587759256	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCN(Cc3ccccc3)C2)N1	ZINC000587759316	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCN(Cc3ccccc3)C2)N1	ZINC000587759317	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCN(Cc3ccccc3)C2)N1	ZINC000587759318	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCN(Cc3ccccc3)C2)N1	ZINC000587759319	HJ	Annotated	Anodyne	
C=CCn1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21	ZINC000587759448	HJ	Annotated	Mild	
C=CCn1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21	ZINC000587759450	HJ	Annotated	Mild	
C=CCn1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21	ZINC000587759452	HJ	Annotated	Mild	
C=CCn1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21	ZINC000587759454	HJ	Annotated	Mild	
COc1ccc2c(c1)c([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)cn2C	ZINC000587759466	HJ	Annotated	Anodyne	
COc1ccc2c(c1)c([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)cn2C	ZINC000587759468	HJ	Annotated	Anodyne	
COc1ccc2c(c1)c([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2C	ZINC000587759470	HJ	Annotated	Anodyne	
COc1ccc2c(c1)c([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2C	ZINC000587759472	HJ	Annotated	Anodyne	
COc1ccc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn(C)c2c1	ZINC000587759522	HJ	Annotated	Anodyne	
COc1ccc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn(C)c2c1	ZINC000587759523	HJ	Annotated	Anodyne	
COc1ccc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn(C)c2c1	ZINC000587759524	HJ	Annotated	Anodyne	
COc1ccc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn(C)c2c1	ZINC000587759525	HJ	Annotated	Anodyne	
CCn1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21	ZINC000587759526	HJ	Annotated	Anodyne	
CCn1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21	ZINC000587759527	HJ	Annotated	Anodyne	
CCn1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21	ZINC000587759528	HJ	Annotated	Anodyne	
CCn1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21	ZINC000587759529	HJ	Annotated	Anodyne	
CCOc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)nn1CC(C)C	ZINC000587759530	HJ	Annotated	Anodyne	
CCOc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)nn1CC(C)C	ZINC000587759531	HJ	Annotated	Anodyne	
CCOc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)nn1CC(C)C	ZINC000587759532	HJ	Annotated	Anodyne	
CCOc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)nn1CC(C)C	ZINC000587759533	HJ	Annotated	Anodyne	
C[C@H]1C[C@]2(CN1Cc1ccccc1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587759588	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C)N(Cc3ccccc3)C2)N1	ZINC000587759589	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C)N(Cc3ccccc3)C2)N1	ZINC000587759590	HJ	Annotated	Anodyne	
C[C@H]1C[C@@]2(CN1Cc1ccccc1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587759591	HJ	Annotated	Anodyne	
Cc1ccc(-n2cccn2)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587759731	HJ	Annotated	Anodyne	
Cc1ccc(-n2cccn2)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587759732	HJ	Annotated	Anodyne	
Cc1ccc(-n2cccn2)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587759734	HJ	Annotated	Anodyne	
Cc1ccc(-n2cccn2)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587759736	HJ	Annotated	Anodyne	
CCCn1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21	ZINC000587759806	HJ	Annotated	Anodyne	
CCCn1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21	ZINC000587759807	HJ	Annotated	Anodyne	
CCCn1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21	ZINC000587759808	HJ	Annotated	Anodyne	
CCCn1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21	ZINC000587759809	HJ	Annotated	Anodyne	
Cc1ccc(-n2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1	ZINC000587759980	HJ	Annotated	Anodyne	
Cc1ccc(-n2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1	ZINC000587759982	HJ	Annotated	Anodyne	
Cc1ccc(-n2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1	ZINC000587759984	HJ	Annotated	Anodyne	
Cc1ccc(-n2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1	ZINC000587759986	HJ	Annotated	Anodyne	
CCCCC[C@]1(c2cn(C)nc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587760041	HJ	Annotated	Anodyne	
CCCCC[C@@]1(c2cn(C)nc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587760043	HJ	Annotated	Anodyne	
CCCCC[C@]1(c2cn(C)nc2C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587760045	HJ	Annotated	Anodyne	
CCCCC[C@@]1(c2cn(C)nc2C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587760047	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3cccn3)cc2)N1	ZINC000587760246	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cccn3)cc2)N1	ZINC000587760247	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3cccn3)cc2)N1	ZINC000587760248	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cccn3)cc2)N1	ZINC000587760249	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cnn(C)c3)cc2)N1	ZINC000587760348	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cnn(C)c3)cc2)N1	ZINC000587760350	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cnn(C)c3)cc2)N1	ZINC000587760352	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cnn(C)c3)cc2)N1	ZINC000587760354	HJ	Annotated	Anodyne	
C[C@H]1C[C@]2(CN1Cc1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587760531	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](C)N(Cc3ccccc3)C2)N1	ZINC000587760532	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C)N(Cc3ccccc3)C2)N1	ZINC000587760533	HJ	Annotated	Anodyne	
C[C@H]1C[C@@]2(CN1Cc1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587760534	HJ	Annotated	Anodyne	
COc1ccc2c(c1)cc([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)n2C	ZINC000587760618	HJ	Annotated	Anodyne	
COc1ccc2c(c1)cc([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)n2C	ZINC000587760619	HJ	Annotated	Anodyne	
COc1ccc2c(c1)cc([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)n2C	ZINC000587760620	HJ	Annotated	Anodyne	
COc1ccc2c(c1)cc([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)n2C	ZINC000587760621	HJ	Annotated	Anodyne	
Cc1ccccc1-n1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587760738	HJ	Annotated	Anodyne	
Cc1ccccc1-n1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587760739	HJ	Annotated	Anodyne	
Cc1ccccc1-n1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587760740	HJ	Annotated	Anodyne	
Cc1ccccc1-n1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587760741	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-n2cccn2)N1	ZINC000587760763	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-n2cccn2)N1	ZINC000587760766	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-n2cccn2)N1	ZINC000587760768	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-n2cccn2)N1	ZINC000587760769	HJ	Annotated	Anodyne	
Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccnn2C)c1	ZINC000587760939	HJ	Annotated	Anodyne	
Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccnn2C)c1	ZINC000587760940	HJ	Annotated	Anodyne	
Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccnn2C)c1	ZINC000587760941	HJ	Annotated	Anodyne	
Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccnn2C)c1	ZINC000587760942	HJ	Annotated	Anodyne	
Cc1cccc(-n2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1	ZINC000587760967	HJ	Annotated	Anodyne	
Cc1cccc(-n2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1	ZINC000587760968	HJ	Annotated	Anodyne	
Cc1cccc(-n2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1	ZINC000587760969	HJ	Annotated	Anodyne	
Cc1cccc(-n2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1	ZINC000587760970	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cnn(C)c3)c2)N1	ZINC000587761171	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cnn(C)c3)c2)N1	ZINC000587761172	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cnn(C)c3)c2)N1	ZINC000587761173	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cnn(C)c3)c2)N1	ZINC000587761174	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cccn3)cc2)N1	ZINC000587761183	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cccn3)cc2)N1	ZINC000587761184	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cccn3)cc2)N1	ZINC000587761185	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cccn3)cc2)N1	ZINC000587761186	HJ	Annotated	Anodyne	
Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1	ZINC000587761233	HJ	Annotated	Anodyne	
Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1	ZINC000587761235	HJ	Annotated	Anodyne	
Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1	ZINC000587761237	HJ	Annotated	Anodyne	
Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1	ZINC000587761239	HJ	Annotated	Anodyne	
Cc1cc(-n2cccn2)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587761463	HJ	Annotated	Anodyne	
Cc1cc(-n2cccn2)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587761464	HJ	Annotated	Anodyne	
Cc1cc(-n2cccn2)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587761465	HJ	Annotated	Anodyne	
Cc1cc(-n2cccn2)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587761466	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)N1	ZINC000587761549	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)N1	ZINC000587761550	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)N1	ZINC000587761551	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)N1	ZINC000587761552	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2C2CCCCC2)N1	ZINC000587761619	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2C2CCCCC2)N1	ZINC000587761620	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2C2CCCCC2)N1	ZINC000587761621	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2C2CCCCC2)N1	ZINC000587761622	HJ	Annotated	Anodyne	
Cc1ccc(-n2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1	ZINC000587761728	HJ	Annotated	Anodyne	
Cc1ccc(-n2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1	ZINC000587761729	HJ	Annotated	Anodyne	
Cc1ccc(-n2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1	ZINC000587761731	HJ	Annotated	Anodyne	
Cc1ccc(-n2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1	ZINC000587761732	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-n2cccn2)N1	ZINC000587761733	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-n2cccn2)N1	ZINC000587761735	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-n2cccn2)N1	ZINC000587761736	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-n2cccn2)N1	ZINC000587761737	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnn2-c2ccccc2)N1	ZINC000587761747	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnn2-c2ccccc2)N1	ZINC000587761748	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnn2-c2ccccc2)N1	ZINC000587761749	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnn2-c2ccccc2)N1	ZINC000587761750	HJ	Annotated	Anodyne	
Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccnn2C)c1	ZINC000587761824	HJ	Annotated	Anodyne	
Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccnn2C)c1	ZINC000587761825	HJ	Annotated	Anodyne	
Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccnn2C)c1	ZINC000587761826	HJ	Annotated	Anodyne	
Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccnn2C)c1	ZINC000587761827	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2ccccc2)N1	ZINC000587762022	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2ccccc2)N1	ZINC000587762024	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccccc2)N1	ZINC000587762026	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccccc2)N1	ZINC000587762028	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(Cc3ccccc3)c2)N1	ZINC000587762043	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(Cc3ccccc3)c2)N1	ZINC000587762044	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(Cc3ccccc3)c2)N1	ZINC000587762046	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(Cc3ccccc3)c2)N1	ZINC000587762049	HJ	Annotated	Anodyne	
Cc1ccccc1-n1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587762167	HJ	Annotated	Anodyne	
Cc1ccccc1-n1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587762169	HJ	Annotated	Anodyne	
Cc1ccccc1-n1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587762171	HJ	Annotated	Anodyne	
Cc1ccccc1-n1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587762172	HJ	Annotated	Anodyne	
CC[C@@H]1CCCCN1C(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587762288	HJ	Annotated	Anodyne	
CC[C@@H]1CCCCN1C(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587762289	HJ	Annotated	Anodyne	
CC[C@@H]1CCCCN1C(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587762290	HJ	Annotated	Anodyne	
CC[C@@H]1CCCCN1C(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587762291	HJ	Annotated	Anodyne	
Cc1ccc(-n2cccn2)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587762372	HJ	Annotated	Anodyne	
Cc1ccc(-n2cccn2)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587762373	HJ	Annotated	Anodyne	
Cc1ccc(-n2cccn2)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587762374	HJ	Annotated	Anodyne	
Cc1ccc(-n2cccn2)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587762375	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(Cc3ccccc3)c2)N1	ZINC000587762444	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(Cc3ccccc3)c2)N1	ZINC000587762445	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(Cc3ccccc3)c2)N1	ZINC000587762446	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(Cc3ccccc3)c2)N1	ZINC000587762447	HJ	Annotated	Anodyne	
Cc1cccc(-n2cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1	ZINC000587762548	HJ	Annotated	Anodyne	
Cc1cccc(-n2cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1	ZINC000587762550	HJ	Annotated	Anodyne	
Cc1cccc(-n2cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)c1	ZINC000587762552	HJ	Annotated	Anodyne	
Cc1cccc(-n2cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)c1	ZINC000587762554	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cnn(C)c3)c2)N1	ZINC000587762692	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cnn(C)c3)c2)N1	ZINC000587762693	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cnn(C)c3)c2)N1	ZINC000587762694	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cnn(C)c3)c2)N1	ZINC000587762695	HJ	Annotated	Anodyne	
Cc1nn(-c2ccccc2)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587762894	HJ	Annotated	Anodyne	
Cc1nn(-c2ccccc2)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587762896	HJ	Annotated	Anodyne	
Cc1nn(-c2ccccc2)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587762897	HJ	Annotated	Anodyne	
Cc1nn(-c2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587762899	HJ	Annotated	Anodyne	
Cc1cc(C)n([C@@H]2CCC[C@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)n1	ZINC000587762908	HJ	Annotated	Anodyne	
Cc1cc(C)n([C@@H]2CCC[C@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)n1	ZINC000587762909	HJ	Annotated	Anodyne	
Cc1cc(C)n([C@@H]2CCC[C@@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)n1	ZINC000587762910	HJ	Annotated	Anodyne	
Cc1cc(C)n([C@@H]2CCC[C@@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)n1	ZINC000587762911	HJ	Annotated	Anodyne	
Cc1ccccc1-n1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587762932	HJ	Annotated	Anodyne	
Cc1ccccc1-n1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587762933	HJ	Annotated	Anodyne	
Cc1ccccc1-n1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587762934	HJ	Annotated	Anodyne	
Cc1ccccc1-n1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587762935	HJ	Annotated	Anodyne	
CC[C@@H]1CCCCN1C(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587762984	HJ	Annotated	Anodyne	
CC[C@@H]1CCCCN1C(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587762985	HJ	Annotated	Anodyne	
CC[C@@H]1CCCCN1C(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587762986	HJ	Annotated	Anodyne	
CC[C@@H]1CCCCN1C(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587762987	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2ccccc2)N1	ZINC000587763064	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2ccccc2)N1	ZINC000587763065	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2ccccc2)N1	ZINC000587763066	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2ccccc2)N1	ZINC000587763067	HJ	Annotated	Anodyne	
Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1	ZINC000587763100	HJ	Annotated	Anodyne	
Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1	ZINC000587763101	HJ	Annotated	Anodyne	
Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1	ZINC000587763102	HJ	Annotated	Anodyne	
Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1	ZINC000587763103	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2ccccc2)C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587763230	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2ccccc2)C[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587763231	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2ccccc2)C[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587763232	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2ccccc2)C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587763233	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(-c3ccccc3)c2)N1	ZINC000587763256	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(-c3ccccc3)c2)N1	ZINC000587763257	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(-c3ccccc3)c2)N1	ZINC000587763258	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(-c3ccccc3)c2)N1	ZINC000587763259	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccccc3)n(C)n2)N1	ZINC000587763288	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccccc3)n(C)n2)N1	ZINC000587763289	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3)n(C)n2)N1	ZINC000587763290	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3)n(C)n2)N1	ZINC000587763291	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(C)c2-c2ccccc2)N1	ZINC000587763296	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(C)c2-c2ccccc2)N1	ZINC000587763297	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(C)c2-c2ccccc2)N1	ZINC000587763298	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(C)c2-c2ccccc2)N1	ZINC000587763299	HJ	Annotated	Anodyne	
CCN1c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2C[C@@H]1C	ZINC000587763426	HJ	Annotated	Clean	
CCN1c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2C[C@@H]1C	ZINC000587763427	HJ	Annotated	Clean	
CCN1c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2C[C@H]1C	ZINC000587763428	HJ	Annotated	Clean	
CCN1c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2C[C@H]1C	ZINC000587763429	HJ	Annotated	Clean	
Cc1nn(-c2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587763636	HJ	Annotated	Anodyne	
Cc1nn(-c2ccccc2)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587763637	HJ	Annotated	Anodyne	
Cc1nn(-c2ccccc2)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587763638	HJ	Annotated	Anodyne	
Cc1nn(-c2ccccc2)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587763639	HJ	Annotated	Anodyne	
Cc1cc(C)n([C@@H]2CCC[C@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)n1	ZINC000587763724	HJ	Annotated	Anodyne	
Cc1cc(C)n([C@@H]2CCC[C@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)n1	ZINC000587763725	HJ	Annotated	Anodyne	
Cc1cc(C)n([C@@H]2CCC[C@@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)n1	ZINC000587763726	HJ	Annotated	Anodyne	
Cc1cc(C)n([C@@H]2CCC[C@@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)n1	ZINC000587763727	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N3CCCC3)ccc2N)N1	ZINC000587763853	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N3CCCC3)ccc2N)N1	ZINC000587763855	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N3CCCC3)ccc2N)N1	ZINC000587763857	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N3CCCC3)ccc2N)N1	ZINC000587763859	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccn(C)n3)c2)N1	ZINC000587764108	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccn(C)n3)c2)N1	ZINC000587764109	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccn(C)n3)c2)N1	ZINC000587764110	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccn(C)n3)c2)N1	ZINC000587764111	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(-c3ccccc3)c2)N1	ZINC000587764183	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(-c3ccccc3)c2)N1	ZINC000587764184	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(-c3ccccc3)c2)N1	ZINC000587764185	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(-c3ccccc3)c2)N1	ZINC000587764186	HJ	Annotated	Anodyne	
COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1	ZINC000587764240	HJ	Annotated	Clean	
COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1	ZINC000587764241	HJ	Annotated	Clean	
COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1	ZINC000587764242	HJ	Annotated	Clean	
COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1	ZINC000587764243	HJ	Annotated	Clean	
CCN1CCCc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21	ZINC000587764250	HJ	Annotated	Clean	
CCN1CCCc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21	ZINC000587764251	HJ	Annotated	Clean	
CCN1CCCc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21	ZINC000587764252	HJ	Annotated	Clean	
CCN1CCCc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21	ZINC000587764253	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3CCCC3=O)c2)N1	ZINC000587764254	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3CCCC3=O)c2)N1	ZINC000587764255	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3CCCC3=O)c2)N1	ZINC000587764256	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3CCCC3=O)c2)N1	ZINC000587764257	HJ	Annotated	Anodyne	
COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1	ZINC000587764270	HJ	Annotated	Clean	
COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1	ZINC000587764271	HJ	Annotated	Clean	
COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1	ZINC000587764272	HJ	Annotated	Clean	
COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1	ZINC000587764273	HJ	Annotated	Clean	
Cc1cccc(-n2cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1	ZINC000587764399	HJ	Annotated	Anodyne	
Cc1cccc(-n2cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1	ZINC000587764400	HJ	Annotated	Anodyne	
Cc1cccc(-n2cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1	ZINC000587764401	HJ	Annotated	Anodyne	
Cc1cccc(-n2cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1	ZINC000587764402	HJ	Annotated	Anodyne	
CC(C)N1CCc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21	ZINC000587764609	HJ	Annotated	Clean	
CC(C)N1CCc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21	ZINC000587764610	HJ	Annotated	Clean	
CC(C)N1CCc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21	ZINC000587764611	HJ	Annotated	Clean	
CC(C)N1CCc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21	ZINC000587764612	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC[C@H]2N(Cc2ccccc2)C1	ZINC000587764619	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CC[C@H]2N(Cc2ccccc2)C1	ZINC000587764621	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC[C@H]2N(Cc2ccccc2)C1	ZINC000587764623	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CC[C@H]2N(Cc2ccccc2)C1	ZINC000587764627	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCC3)cc2O)N1	ZINC000587764882	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCC3)cc2O)N1	ZINC000587764883	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCC3)cc2O)N1	ZINC000587764884	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCC3)cc2O)N1	ZINC000587764885	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCC3=O)cc2)N1	ZINC000587764971	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCC3=O)cc2)N1	ZINC000587764973	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCC3=O)cc2)N1	ZINC000587764975	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCC3=O)cc2)N1	ZINC000587764977	HJ	Annotated	Anodyne	
Cc1ccccc1N1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587765014	HJ	Annotated	Anodyne	
Cc1ccccc1N1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587765015	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CN3CCCC3)c2)N1	ZINC000587765175	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CN3CCCC3)c2)N1	ZINC000587765177	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CN3CCCC3)c2)N1	ZINC000587765178	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CN3CCCC3)c2)N1	ZINC000587765180	HJ	Annotated	Anodyne	
CCCCN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21	ZINC000587765193	HJ	Annotated	Anodyne	
CCCCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21	ZINC000587765195	HJ	Annotated	Anodyne	
CCCCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21	ZINC000587765197	HJ	Annotated	Anodyne	
CCCCN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21	ZINC000587765200	HJ	Annotated	Anodyne	
CC1CCC(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)CC1	ZINC000587765413	HJ	Annotated	Anodyne	
CC1CCC(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)CC1	ZINC000587765417	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)N1	ZINC000587765449	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)N1	ZINC000587765452	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)N1	ZINC000587765453	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)N1	ZINC000587765456	HJ	Annotated	Anodyne	
Cc1ccc(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1	ZINC000587765478	HJ	Annotated	Anodyne	
Cc1ccc(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1	ZINC000587765479	HJ	Annotated	Anodyne	
COc1cccc(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)c1	ZINC000587765518	HJ	Annotated	Anodyne	
COc1cccc(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)c1	ZINC000587765519	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2C2CCCCC2)N1	ZINC000587765760	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2C2CCCCC2)N1	ZINC000587765762	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2C2CCCCC2)N1	ZINC000587765763	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2C2CCCCC2)N1	ZINC000587765765	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3)n(C)n2)N1	ZINC000587765857	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3)n(C)n2)N1	ZINC000587765858	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3)n(C)n2)N1	ZINC000587765859	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3)n(C)n2)N1	ZINC000587765860	HJ	Annotated	Anodyne	
C[C@@H]1CCC[C@@H](N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)C1	ZINC000587765924	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN([C@@H]3CCC[C@@H](C)C3)CC2)N1	ZINC000587765925	HJ	Annotated	Anodyne	
C[C@@H]1CCC[C@H](N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)C1	ZINC000587765926	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN([C@H]3CCC[C@@H](C)C3)CC2)N1	ZINC000587765927	HJ	Annotated	Anodyne	
Cc1cccc(N2CCC([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)CC2)n1	ZINC000587765928	HJ	Annotated	Anodyne	
Cc1cccc(N2CCC([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)CC2)n1	ZINC000587765929	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2CN2CCCC2)N1	ZINC000587766004	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2CN2CCCC2)N1	ZINC000587766005	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2CN2CCCC2)N1	ZINC000587766006	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2CN2CCCC2)N1	ZINC000587766007	HJ	Annotated	Anodyne	
Cc1cccc(N2CCC([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)CC2)n1	ZINC000587766122	HJ	Annotated	Anodyne	
Cc1cccc(N2CCC([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)CC2)n1	ZINC000587766124	HJ	Annotated	Anodyne	
Cc1ccccc1N1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587766138	HJ	Annotated	Anodyne	
Cc1ccccc1N1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587766139	HJ	Annotated	Anodyne	
CC1CCC(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)CC1	ZINC000587766158	HJ	Annotated	Anodyne	
CC1CCC(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)CC1	ZINC000587766160	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2N2CCCCC2)N1	ZINC000587766220	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2N2CCCCC2)N1	ZINC000587766222	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2N2CCCCC2)N1	ZINC000587766223	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2N2CCCCC2)N1	ZINC000587766226	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)nc2)N1	ZINC000587766348	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)nc2)N1	ZINC000587766353	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)nc2)N1	ZINC000587766356	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)nc2)N1	ZINC000587766358	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCC3)cc2O)N1	ZINC000587766361	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCC3)cc2O)N1	ZINC000587766365	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCC3)cc2O)N1	ZINC000587766368	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCC3)cc2O)N1	ZINC000587766371	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(CC3CCCCC3)n2)N1	ZINC000587766433	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(CC3CCCCC3)n2)N1	ZINC000587766434	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(CC3CCCCC3)n2)N1	ZINC000587766437	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(CC3CCCCC3)n2)N1	ZINC000587766439	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3)nn2C)N1	ZINC000587766441	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3)nn2C)N1	ZINC000587766444	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3)nn2C)N1	ZINC000587766446	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3)nn2C)N1	ZINC000587766448	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3CCCC3=O)c2)N1	ZINC000587766471	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3CCCC3=O)c2)N1	ZINC000587766472	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3CCCC3=O)c2)N1	ZINC000587766473	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3CCCC3=O)c2)N1	ZINC000587766474	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N3CCCC3)ccc2N)N1	ZINC000587766515	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N3CCCC3)ccc2N)N1	ZINC000587766516	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N3CCCC3)ccc2N)N1	ZINC000587766517	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N3CCCC3)ccc2N)N1	ZINC000587766519	HJ	Annotated	Anodyne	
CCn1c(=O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2ccccc21	ZINC000587766576	HJ	Annotated	Anodyne	
CCn1c(=O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2ccccc21	ZINC000587766580	HJ	Annotated	Anodyne	
CCn1c(=O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2ccccc21	ZINC000587766583	HJ	Annotated	Anodyne	
CCn1c(=O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2ccccc21	ZINC000587766587	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(Cc3ccccc3)C2)N1	ZINC000587766767	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(Cc3ccccc3)C2)N1	ZINC000587766769	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(Cc3ccccc3)C2)N1	ZINC000587766772	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(Cc3ccccc3)C2)N1	ZINC000587766774	HJ	Annotated	Anodyne	
C[C@@H](c1ccccc1)N1CC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587766781	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(C)(C)C)nc2O)N1	ZINC000587766782	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(C)(C)C)nc2O)N1	ZINC000587766783	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN([C@H](C)c3ccccc3)C2)N1	ZINC000587766784	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN([C@H](C)c3ccccc3)C2)N1	ZINC000587766785	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(C)(C)C)nc2O)N1	ZINC000587766786	HJ	Annotated	Anodyne	
C[C@@H](c1ccccc1)N1CC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587766787	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(C)(C)C)nc2O)N1	ZINC000587766788	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(C)c2-c2ccccc2)N1	ZINC000587766865	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(C)c2-c2ccccc2)N1	ZINC000587766866	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(C)c2-c2ccccc2)N1	ZINC000587766868	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(C)c2-c2ccccc2)N1	ZINC000587766869	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)nc2)N1	ZINC000587766923	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)nc2)N1	ZINC000587766924	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)nc2)N1	ZINC000587766925	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)nc2)N1	ZINC000587766926	HJ	Annotated	Anodyne	
CCN1CCCc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21	ZINC000587766963	HJ	Annotated	Clean	
CCN1CCCc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21	ZINC000587766964	HJ	Annotated	Clean	
CCN1CCCc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21	ZINC000587766965	HJ	Annotated	Clean	
CCN1CCCc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21	ZINC000587766966	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC=C3C2=Nc2ccccc2N3C)N1	ZINC000587767247	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC=C3C2=Nc2ccccc2N3C)N1	ZINC000587767255	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC=C3C2=Nc2ccccc2N3C)N1	ZINC000587767256	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC=C3C2=Nc2ccccc2N3C)N1	ZINC000587767257	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cccnc3O)c2)N1	ZINC000587767269	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cccnc3O)c2)N1	ZINC000587767271	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cccnc3O)c2)N1	ZINC000587767273	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cccnc3O)c2)N1	ZINC000587767274	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccccc3)nn2C)N1	ZINC000587767291	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccccc3)nn2C)N1	ZINC000587767292	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3)nn2C)N1	ZINC000587767293	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3)nn2C)N1	ZINC000587767294	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(CC3CCCCC3)n2)N1	ZINC000587767400	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(CC3CCCCC3)n2)N1	ZINC000587767401	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(CC3CCCCC3)n2)N1	ZINC000587767402	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(CC3CCCCC3)n2)N1	ZINC000587767404	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccn(C)n3)c2)N1	ZINC000587767420	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccn(C)n3)c2)N1	ZINC000587767421	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccn(C)n3)c2)N1	ZINC000587767422	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccn(C)n3)c2)N1	ZINC000587767424	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCC3)cc2)N1	ZINC000587767531	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCC3)cc2)N1	ZINC000587767532	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCC3)cc2)N1	ZINC000587767533	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCC3)cc2)N1	ZINC000587767534	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCC3)cc2)N1	ZINC000587767543	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCC3)cc2)N1	ZINC000587767544	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCC3)cc2)N1	ZINC000587767545	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCC3)cc2)N1	ZINC000587767546	HJ	Annotated	Clean	
COc1ccc(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1	ZINC000587767683	HJ	Annotated	Clean	
COc1ccc(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1	ZINC000587767684	HJ	Annotated	Clean	
COc1ccccc1N1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587767685	HJ	Annotated	Anodyne	
COc1ccccc1N1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587767687	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(CC3CCCCC3)CC2)N1	ZINC000587767701	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(CC3CCCCC3)CC2)N1	ZINC000587767702	HJ	Annotated	Anodyne	
Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1	ZINC000587767875	HJ	Annotated	Anodyne	
Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1	ZINC000587767877	HJ	Annotated	Anodyne	
Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1	ZINC000587767880	HJ	Annotated	Anodyne	
Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1	ZINC000587767883	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CN3CCCC3)c2)N1	ZINC000587768069	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CN3CCCC3)c2)N1	ZINC000587768072	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CN3CCCC3)c2)N1	ZINC000587768075	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CN3CCCC3)c2)N1	ZINC000587768077	HJ	Annotated	Anodyne	
Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1	ZINC000587768099	HJ	Annotated	Anodyne	
Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1	ZINC000587768101	HJ	Annotated	Anodyne	
Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1	ZINC000587768103	HJ	Annotated	Anodyne	
Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1	ZINC000587768105	HJ	Annotated	Anodyne	
C[C@H]1CCCC[C@H]1N1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587768232	HJ	Annotated	Anodyne	
C[C@H]1CCCC[C@@H]1N1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587768233	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN([C@@H]3CCCC[C@H]3C)CC2)N1	ZINC000587768234	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN([C@H]3CCCC[C@H]3C)CC2)N1	ZINC000587768235	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cc(O)ccn3)c2)N1	ZINC000587768536	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cc(O)ccn3)c2)N1	ZINC000587768538	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cc(O)ccn3)c2)N1	ZINC000587768539	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cc(O)ccn3)c2)N1	ZINC000587768540	HJ	Annotated	Anodyne	
C[C@@H](c1ccccc1)N1CC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587768702	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN([C@H](C)c3ccccc3)C2)N1	ZINC000587768704	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN([C@H](C)c3ccccc3)C2)N1	ZINC000587768705	HJ	Annotated	Anodyne	
C[C@@H](c1ccccc1)N1CC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587768707	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2CN2CCCC2)N1	ZINC000587768741	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2CN2CCCC2)N1	ZINC000587768743	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2CN2CCCC2)N1	ZINC000587768745	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2CN2CCCC2)N1	ZINC000587768746	HJ	Annotated	Anodyne	
COc1cccc(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)c1	ZINC000587768814	HJ	Annotated	Anodyne	
COc1cccc(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)c1	ZINC000587768816	HJ	Annotated	Anodyne	
CC(C)c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12	ZINC000587768916	HJ	Annotated	Anodyne	
CC(C)c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12	ZINC000587768918	HJ	Annotated	Anodyne	
CC(C)c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12	ZINC000587768919	HJ	Annotated	Anodyne	
CC(C)c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12	ZINC000587768920	HJ	Annotated	Anodyne	
Cc1c(C=O)c2ccccn2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587769068	HJ	Annotated	Anodyne	
Cc1c(C=O)c2ccccn2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587769069	HJ	Annotated	Anodyne	
Cc1c(C=O)c2ccccn2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587769070	HJ	Annotated	Anodyne	
Cc1c(C=O)c2ccccn2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587769071	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2N2CCCCC2)N1	ZINC000587769168	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2N2CCCCC2)N1	ZINC000587769169	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2N2CCCCC2)N1	ZINC000587769170	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2N2CCCCC2)N1	ZINC000587769171	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCC3=O)cc2)N1	ZINC000587769176	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCC3=O)cc2)N1	ZINC000587769177	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCC3=O)cc2)N1	ZINC000587769178	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCC3=O)cc2)N1	ZINC000587769179	HJ	Annotated	Anodyne	
Cc1ccc(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1	ZINC000587769234	HJ	Annotated	Anodyne	
Cc1ccc(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1	ZINC000587769236	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(CC3CCCCC3)CC2)N1	ZINC000587769241	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(CC3CCCCC3)CC2)N1	ZINC000587769242	HJ	Annotated	Anodyne	
CC(C)N1CCc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21	ZINC000587769688	HJ	Annotated	Clean	
CC(C)N1CCc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21	ZINC000587769689	HJ	Annotated	Clean	
CC(C)N1CCc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21	ZINC000587769690	HJ	Annotated	Clean	
CC(C)N1CCc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21	ZINC000587769691	HJ	Annotated	Clean	
Cc1cccc(N2CCC([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)CC2)n1	ZINC000587769728	HJ	Annotated	Anodyne	
Cc1cccc(N2CCC([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)CC2)n1	ZINC000587769729	HJ	Annotated	Anodyne	
Cc1cccc(N2CCC([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)CC2)n1	ZINC000587769730	HJ	Annotated	Anodyne	
Cc1cccc(N2CCC([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)CC2)n1	ZINC000587769731	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(Cc3ccccc3)C2)N1	ZINC000587769744	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(Cc3ccccc3)C2)N1	ZINC000587769745	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(Cc3ccccc3)C2)N1	ZINC000587769746	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(Cc3ccccc3)C2)N1	ZINC000587769747	HJ	Annotated	Anodyne	
CCOc1ccc(N2CC[C@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1	ZINC000587769756	HJ	Annotated	Clean	
CCOc1ccc(N2CC[C@@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1	ZINC000587769757	HJ	Annotated	Clean	
CCOc1ccc(N2CC[C@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1	ZINC000587769758	HJ	Annotated	Clean	
CCOc1ccc(N2CC[C@@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1	ZINC000587769759	HJ	Annotated	Clean	
Cc1cccc(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)c1	ZINC000587769789	HJ	Annotated	Anodyne	
Cc1cccc(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)c1	ZINC000587769791	HJ	Annotated	Anodyne	
CC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)nc1C	ZINC000587769917	HJ	Annotated	Anodyne	
CC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)nc1C	ZINC000587769925	HJ	Annotated	Anodyne	
CC(=O)c1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)nc1C	ZINC000587769932	HJ	Annotated	Anodyne	
CC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)nc1C	ZINC000587769938	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)N1	ZINC000587770330	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)N1	ZINC000587770332	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)N1	ZINC000587770334	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)N1	ZINC000587770335	HJ	Annotated	Anodyne	
Cc1cccc(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)c1	ZINC000587770759	HJ	Annotated	Anodyne	
Cc1cccc(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)c1	ZINC000587770760	HJ	Annotated	Anodyne	
Cc1c(C=O)c2ccccn2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587770877	HJ	Annotated	Anodyne	
Cc1c(C=O)c2ccccn2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587770878	HJ	Annotated	Anodyne	
Cc1c(C=O)c2ccccn2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587770879	HJ	Annotated	Anodyne	
Cc1c(C=O)c2ccccn2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587770880	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)N3C2CCCC2)N1	ZINC000587770881	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)N3C2CCCC2)N1	ZINC000587770894	HJ	Annotated	Anodyne	
Cc1ccncc1[C@@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587771300	HJ	Annotated	Anodyne	
Cc1ccncc1[C@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587771305	HJ	Annotated	Anodyne	
Cc1ccncc1[C@@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587771307	HJ	Annotated	Anodyne	
Cc1ccncc1[C@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587771310	HJ	Annotated	Anodyne	
Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1C=O	ZINC000587771403	HJ	Annotated	Anodyne	
Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1C=O	ZINC000587771404	HJ	Annotated	Anodyne	
Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1C=O	ZINC000587771405	HJ	Annotated	Anodyne	
Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1C=O	ZINC000587771407	HJ	Annotated	Anodyne	
CCn1c(=O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2ccccc21	ZINC000587771430	HJ	Annotated	Anodyne	
CCn1c(=O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2ccccc21	ZINC000587771431	HJ	Annotated	Anodyne	
CCn1c(=O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2ccccc21	ZINC000587771432	HJ	Annotated	Anodyne	
CCn1c(=O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2ccccc21	ZINC000587771433	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3C2CCCC2)N1	ZINC000587771514	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3C2CCCC2)N1	ZINC000587771518	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccc2)ncc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587771672	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccc2)ncc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587771674	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccc2)ncc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587771676	HJ	Annotated	Anodyne	
C[C@H]1CCCC[C@@H]1N1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587771677	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccc2)ncc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587771678	HJ	Annotated	Anodyne	
C[C@H]1CCCC[C@H]1N1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587771679	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN([C@@H]3CCCC[C@H]3C)CC2)N1	ZINC000587771681	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN([C@H]3CCCC[C@H]3C)CC2)N1	ZINC000587771683	HJ	Annotated	Anodyne	
COc1ccc(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1	ZINC000587771741	HJ	Annotated	Clean	
COc1ccc(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1	ZINC000587771742	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3cnccn3)c2)N1	ZINC000587771823	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3cnccn3)c2)N1	ZINC000587771824	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3cnccn3)c2)N1	ZINC000587771825	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3cnccn3)c2)N1	ZINC000587771826	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(C)(C)C)nc2O)N1	ZINC000587772002	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(C)(C)C)nc2O)N1	ZINC000587772006	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(C)(C)C)nc2O)N1	ZINC000587772010	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(C)(C)C)nc2O)N1	ZINC000587772013	HJ	Annotated	Anodyne	
CC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)nc1C	ZINC000587772094	HJ	Annotated	Anodyne	
CC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)nc1C	ZINC000587772098	HJ	Annotated	Anodyne	
CC(=O)c1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)nc1C	ZINC000587772101	HJ	Annotated	Anodyne	
CC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)nc1C	ZINC000587772104	HJ	Annotated	Anodyne	
Cc1ccncc1[C@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587772223	HJ	Annotated	Anodyne	
Cc1ccncc1[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587772225	HJ	Annotated	Anodyne	
Cc1ccncc1[C@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587772227	HJ	Annotated	Anodyne	
Cc1ccncc1[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587772229	HJ	Annotated	Anodyne	
COc1ccccc1N1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587772269	HJ	Annotated	Anodyne	
COc1ccccc1N1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587772271	HJ	Annotated	Anodyne	
C[C@@H]1CCC[C@@H](N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)C1	ZINC000587772282	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN([C@@H]3CCC[C@@H](C)C3)CC2)N1	ZINC000587772283	HJ	Annotated	Anodyne	
C[C@@H]1CCC[C@H](N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)C1	ZINC000587772284	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN([C@H]3CCC[C@@H](C)C3)CC2)N1	ZINC000587772285	HJ	Annotated	Anodyne	
CCOc1ccc(N2CC[C@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1	ZINC000587772302	HJ	Annotated	Clean	
CCOc1ccc(N2CC[C@@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1	ZINC000587772304	HJ	Annotated	Clean	
CCOc1ccc(N2CC[C@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1	ZINC000587772306	HJ	Annotated	Clean	
CCOc1ccc(N2CC[C@@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1	ZINC000587772308	HJ	Annotated	Clean	
Cc1cccc(-c2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1	ZINC000587772685	HJ	Annotated	Anodyne	
Cc1cccc(-c2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1	ZINC000587772686	HJ	Annotated	Anodyne	
Cc1cccc(-c2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)c1	ZINC000587772687	HJ	Annotated	Anodyne	
Cc1cccc(-c2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)c1	ZINC000587772688	HJ	Annotated	Anodyne	
Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1C=O	ZINC000587772761	HJ	Annotated	Anodyne	
Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1C=O	ZINC000587772762	HJ	Annotated	Anodyne	
Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1C=O	ZINC000587772763	HJ	Annotated	Anodyne	
Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1C=O	ZINC000587772764	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](c3ncccc3O)C2)N1	ZINC000587772808	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H](c3ncccc3O)C2)N1	ZINC000587772811	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](c3ncccc3O)C2)N1	ZINC000587772813	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](c3ncccc3O)C2)N1	ZINC000587772814	HJ	Annotated	Anodyne	
Cc1ccn2c(C)c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)nc2c1	ZINC000587773039	HJ	Annotated	Anodyne	
Cc1ccn2c(C)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)nc2c1	ZINC000587773041	HJ	Annotated	Anodyne	
Cc1ccn2c(C)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)nc2c1	ZINC000587773043	HJ	Annotated	Anodyne	
Cc1ccn2c(C)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)nc2c1	ZINC000587773044	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2cnccn2)N1	ZINC000587773084	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2cnccn2)N1	ZINC000587773086	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2cnccn2)N1	ZINC000587773087	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2cnccn2)N1	ZINC000587773088	HJ	Annotated	Anodyne	
CCN1C(C)=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(N)ccc21	ZINC000587773093	HJ	Annotated	Anodyne	
CCN1C(C)=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(N)ccc21	ZINC000587773104	HJ	Annotated	Anodyne	
CCN1C(C)=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(N)ccc21	ZINC000587773108	HJ	Annotated	Anodyne	
Cc1cccc(-c2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1	ZINC000587773109	HJ	Annotated	Anodyne	
Cc1cccc(-c2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1	ZINC000587773110	HJ	Annotated	Anodyne	
Cc1cccc(-c2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1	ZINC000587773111	HJ	Annotated	Anodyne	
Cc1cccc(-c2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1	ZINC000587773112	HJ	Annotated	Anodyne	
CCN1C(C)=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(N)ccc21	ZINC000587773114	HJ	Annotated	Anodyne	
CC(C)c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12	ZINC000587773328	HJ	Annotated	Anodyne	
CC(C)c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12	ZINC000587773329	HJ	Annotated	Anodyne	
CC(C)c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12	ZINC000587773331	HJ	Annotated	Anodyne	
CC(C)c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12	ZINC000587773332	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(c3ncccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587773496	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(c3ncccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587773497	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(c3ncccn3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587773498	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(c3ncccn3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587773499	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC=C3C2=Nc2ccccc2N3C)N1	ZINC000587773536	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC=C3C2=Nc2ccccc2N3C)N1	ZINC000587773537	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC=C3C2=Nc2ccccc2N3C)N1	ZINC000587773538	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC=C3C2=Nc2ccccc2N3C)N1	ZINC000587773539	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cc(O)ccn3)c2)N1	ZINC000587773606	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cc(O)ccn3)c2)N1	ZINC000587773608	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cc(O)ccn3)c2)N1	ZINC000587773610	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cc(O)ccn3)c2)N1	ZINC000587773611	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CC[C@H]2N(Cc2ccccc2)C1	ZINC000587773619	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CC[C@H]2N(Cc2ccccc2)C1	ZINC000587773623	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CC[C@H]2N(Cc2ccccc2)C1	ZINC000587773626	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CC[C@H]2N(Cc2ccccc2)C1	ZINC000587773631	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cccnc3O)c2)N1	ZINC000587773940	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cccnc3O)c2)N1	ZINC000587773941	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cccnc3O)c2)N1	ZINC000587773942	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cccnc3O)c2)N1	ZINC000587773943	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(c3ncccn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587774134	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(c3ncccn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587774135	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(c3ncccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587774137	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(c3ncccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587774139	HJ	Annotated	Anodyne	
COc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12	ZINC000587774153	HJ	Annotated	Anodyne	
COc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12	ZINC000587774155	HJ	Annotated	Anodyne	
COc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12	ZINC000587774157	HJ	Annotated	Anodyne	
COc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12	ZINC000587774158	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](c3ncccc3O)C2)N1	ZINC000587774180	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](c3ncccc3O)C2)N1	ZINC000587774181	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](c3ncccc3O)C2)N1	ZINC000587774182	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H](c3ncccc3O)C2)N1	ZINC000587774183	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2cnccn2)N1	ZINC000587774308	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2cnccn2)N1	ZINC000587774309	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2cnccn2)N1	ZINC000587774310	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2cnccn2)N1	ZINC000587774311	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587774657	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587774658	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587774659	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587774660	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3cnccn3)c2)N1	ZINC000587774933	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3cnccn3)c2)N1	ZINC000587774934	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3cnccn3)c2)N1	ZINC000587774935	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3cnccn3)c2)N1	ZINC000587774936	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cnccn3)cc2)N1	ZINC000587775245	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cnccn3)cc2)N1	ZINC000587775247	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cnccn3)cc2)N1	ZINC000587775248	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cnccn3)cc2)N1	ZINC000587775250	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ncccn3)c2)N1	ZINC000587775305	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ncccn3)c2)N1	ZINC000587775306	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ncccn3)c2)N1	ZINC000587775307	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ncccn3)c2)N1	ZINC000587775308	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ncccn3)cc2)N1	ZINC000587775409	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ncccn3)cc2)N1	ZINC000587775410	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ncccn3)cc2)N1	ZINC000587775411	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ncccn3)cc2)N1	ZINC000587775412	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587775420	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587775421	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587775423	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587775425	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccc2)ncc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587775613	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccc2)ncc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587775614	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccc2)ncc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587775615	HJ	Annotated	Anodyne	
Cc1nc(-c2ccccc2)ncc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587775616	HJ	Annotated	Anodyne	
Cc1ccn2c(C)c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)nc2c1	ZINC000587775625	HJ	Annotated	Anodyne	
Cc1ccn2c(C)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)nc2c1	ZINC000587775626	HJ	Annotated	Anodyne	
Cc1ccn2c(C)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)nc2c1	ZINC000587775627	HJ	Annotated	Anodyne	
Cc1ccn2c(C)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)nc2c1	ZINC000587775628	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ncccn3)cc2)N1	ZINC000587775909	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ncccn3)cc2)N1	ZINC000587775911	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ncccn3)cc2)N1	ZINC000587775913	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ncccn3)cc2)N1	ZINC000587775915	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ncccn3)c2)N1	ZINC000587775954	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ncccn3)c2)N1	ZINC000587775955	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ncccn3)c2)N1	ZINC000587775956	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ncccn3)c2)N1	ZINC000587775957	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C=O)c2ccc3ccccc3n2)N1	ZINC000587775989	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C=O)c2ccc3ccccc3n2)N1	ZINC000587775990	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C=O)c2ccc3ccccc3n2)N1	ZINC000587775991	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C=O)c2ccc3ccccc3n2)N1	ZINC000587775992	HJ	Annotated	Mild	
CCN1C(C)=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(N)ccc21	ZINC000587776291	HJ	Annotated	Anodyne	
CCN1C(C)=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(N)ccc21	ZINC000587776292	HJ	Annotated	Anodyne	
CCN1C(C)=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(N)ccc21	ZINC000587776293	HJ	Annotated	Anodyne	
CCN1C(C)=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(N)ccc21	ZINC000587776294	HJ	Annotated	Anodyne	
COc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12	ZINC000587776392	HJ	Annotated	Anodyne	
COc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12	ZINC000587776393	HJ	Annotated	Anodyne	
COc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12	ZINC000587776394	HJ	Annotated	Anodyne	
COc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12	ZINC000587776395	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc3ncccc3c2)N1	ZINC000587776412	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc3ncccc3c2)N1	ZINC000587776413	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc3ncccc3c2)N1	ZINC000587776414	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc3ncccc3c2)N1	ZINC000587776415	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c3ncccc23)N1	ZINC000587776468	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c3ncccc23)N1	ZINC000587776469	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c3ncccc23)N1	ZINC000587776470	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c3ncccc23)N1	ZINC000587776471	HJ	Annotated	Anodyne	
COc1cccc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc12	ZINC000587776508	HJ	Annotated	Anodyne	
COc1cccc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc12	ZINC000587776509	HJ	Annotated	Anodyne	
COc1cccc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nc12	ZINC000587776510	HJ	Annotated	Anodyne	
COc1cccc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nc12	ZINC000587776511	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cnccn3)cc2)N1	ZINC000587776558	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cnccn3)cc2)N1	ZINC000587776560	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cnccn3)cc2)N1	ZINC000587776561	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cnccn3)cc2)N1	ZINC000587776563	HJ	Annotated	Anodyne	
Cc1ccc2nc(O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1	ZINC000587776810	HJ	Annotated	Anodyne	
Cc1ccc2nc(O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1	ZINC000587776811	HJ	Annotated	Anodyne	
Cc1ccc2nc(O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1	ZINC000587776813	HJ	Annotated	Anodyne	
Cc1ccc2nc(O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1	ZINC000587776816	HJ	Annotated	Anodyne	
COc1ccc2nccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1	ZINC000587777004	HJ	Annotated	Anodyne	
COc1ccc2nccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1	ZINC000587777005	HJ	Annotated	Anodyne	
COc1ccc2nccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1	ZINC000587777006	HJ	Annotated	Anodyne	
COc1ccc2nccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1	ZINC000587777007	HJ	Annotated	Anodyne	
COc1ccc2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1	ZINC000587777379	HJ	Annotated	Anodyne	
COc1ccc2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1	ZINC000587777380	HJ	Annotated	Anodyne	
COc1ccc2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1	ZINC000587777381	HJ	Annotated	Anodyne	
COc1ccc2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1	ZINC000587777382	HJ	Annotated	Anodyne	
Cc1ccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2c1	ZINC000587777419	HJ	Annotated	Anodyne	
Cc1ccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2c1	ZINC000587777420	HJ	Annotated	Anodyne	
Cc1ccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2c1	ZINC000587777421	HJ	Annotated	Anodyne	
Cc1ccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2c1	ZINC000587777422	HJ	Annotated	Anodyne	
Cc1cccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)nc12	ZINC000587777635	HJ	Annotated	Anodyne	
Cc1cccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)nc12	ZINC000587777636	HJ	Annotated	Anodyne	
Cc1cccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)nc12	ZINC000587777637	HJ	Annotated	Anodyne	
Cc1cccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)nc12	ZINC000587777640	HJ	Annotated	Anodyne	
CC(C)[C@]1(c2ccc3nc(O)oc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587777945	HJ	Annotated	Anodyne	
CC(C)[C@@]1(c2ccc3nc(O)oc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587777946	HJ	Annotated	Anodyne	
CC(C)[C@]1(c2ccc3nc(O)oc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587777947	HJ	Annotated	Anodyne	
CC(C)[C@@]1(c2ccc3nc(O)oc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587777948	HJ	Annotated	Anodyne	
CCOc1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)ccc1C	ZINC000587778002	HJ	Annotated	Anodyne	
CCOc1ccc(OCC)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1	ZINC000587778028	HJ	Annotated	Bother	
CCOc1ccc(OCC)c(-c2nc3ccc(I)cc3[nH]2)c1	ZINC000587778030	HJ	Annotated	Anodyne	
COc1nc2ccccc2cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587778359	HJ	Annotated	Anodyne	
COc1nc2ccccc2cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587778360	HJ	Annotated	Anodyne	
COc1nc2ccccc2cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587778361	HJ	Annotated	Anodyne	
COc1nc2ccccc2cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587778362	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C=O)c2ccnc3ccccc23)N1	ZINC000587778405	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C=O)c2ccnc3ccccc23)N1	ZINC000587778406	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C=O)c2ccnc3ccccc23)N1	ZINC000587778407	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C=O)c2ccnc3ccccc23)N1	ZINC000587778408	HJ	Annotated	Mild	
CCOc1ccc(OCC)c(-c2nc3cccc(I)c3[nH]2)c1	ZINC000587778530	HJ	Annotated	Anodyne	
Cc1nc2ccncc2cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587778645	HJ	Annotated	Anodyne	
Cc1nc2ccncc2cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587778646	HJ	Annotated	Anodyne	
Cc1nc2ccncc2cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587778647	HJ	Annotated	Anodyne	
Cc1nc2ccncc2cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587778648	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1cccnc12	ZINC000587778689	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1cccnc12	ZINC000587778690	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1cccnc12	ZINC000587778691	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1cccnc12	ZINC000587778692	HJ	Annotated	Anodyne	
CCOc1ccc(OCC)c(-c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)c1	ZINC000587778709	HJ	Annotated	Anodyne	
CCOc1ccc(OCC)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1	ZINC000587778809	HJ	Annotated	Bother	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1cccnc12	ZINC000587778887	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1cccnc12	ZINC000587778890	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1cccnc12	ZINC000587778891	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1cccnc12	ZINC000587778892	HJ	Annotated	Anodyne	
COc1nc2ccccc2cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587778977	HJ	Annotated	Anodyne	
COc1nc2ccccc2cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587778978	HJ	Annotated	Anodyne	
COc1nc2ccccc2cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587778979	HJ	Annotated	Anodyne	
COc1nc2ccccc2cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587778980	HJ	Annotated	Anodyne	
Cc1nc2ccccc2nc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587779358	HJ	Annotated	Anodyne	
Cc1nc2ccccc2nc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587779359	HJ	Annotated	Anodyne	
Cc1nc2ccccc2nc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587779360	HJ	Annotated	Anodyne	
Cc1nc2ccccc2nc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587779361	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c3ncccc23)N1	ZINC000587779435	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c3ncccc23)N1	ZINC000587779436	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c3ncccc23)N1	ZINC000587779437	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c3ncccc23)N1	ZINC000587779438	HJ	Annotated	Anodyne	
Cc1cccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)nc12	ZINC000587779459	HJ	Annotated	Anodyne	
Cc1cccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)nc12	ZINC000587779460	HJ	Annotated	Anodyne	
Cc1cccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)nc12	ZINC000587779461	HJ	Annotated	Anodyne	
Cc1cccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)nc12	ZINC000587779462	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C#N)(c3ccncc3)CC2)N1	ZINC000587779479	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C#N)(c3ccncc3)CC2)N1	ZINC000587779480	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C#N)(c3ccncc3)CC2)N1	ZINC000587779555	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C#N)(c3ccncc3)CC2)N1	ZINC000587779556	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3cccnc3)ccc2O)N1	ZINC000587779572	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3cccnc3)ccc2O)N1	ZINC000587779574	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3cccnc3)ccc2O)N1	ZINC000587779575	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3cccnc3)ccc2O)N1	ZINC000587779576	HJ	Annotated	Clean	
COc1cccc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc12	ZINC000587779624	HJ	Annotated	Anodyne	
COc1cccc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc12	ZINC000587779625	HJ	Annotated	Anodyne	
COc1cccc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc12	ZINC000587779626	HJ	Annotated	Anodyne	
COc1cccc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc12	ZINC000587779628	HJ	Annotated	Anodyne	
Cc1ccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2c1	ZINC000587779763	HJ	Annotated	Anodyne	
Cc1ccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2c1	ZINC000587779764	HJ	Annotated	Anodyne	
Cc1ccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2c1	ZINC000587779765	HJ	Annotated	Anodyne	
Cc1ccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2c1	ZINC000587779766	HJ	Annotated	Anodyne	
COc1ccc2nccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1	ZINC000587779913	HJ	Annotated	Anodyne	
COc1ccc2nccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1	ZINC000587779915	HJ	Annotated	Anodyne	
COc1ccc2nccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1	ZINC000587779916	HJ	Annotated	Anodyne	
COc1ccc2nccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1	ZINC000587779918	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc3ncccc3c2)N1	ZINC000587779954	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc3ncccc3c2)N1	ZINC000587779955	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc3ncccc3c2)N1	ZINC000587779956	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc3ncccc3c2)N1	ZINC000587779958	HJ	Annotated	Mild	
Cc1nc2ccccc2nc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587779959	HJ	Annotated	Anodyne	
Cc1nc2ccccc2nc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587779961	HJ	Annotated	Anodyne	
Cc1nc2ccccc2nc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587779962	HJ	Annotated	Anodyne	
Cc1nc2ccccc2nc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587779963	HJ	Annotated	Anodyne	
CCOc1ccccc1-c1cccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1	ZINC000587779964	HJ	Annotated	Anodyne	
Cc1nc2ccncc2cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587780019	HJ	Annotated	Anodyne	
Cc1nc2ccncc2cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587780020	HJ	Annotated	Anodyne	
Cc1nc2ccncc2cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587780021	HJ	Annotated	Anodyne	
Cc1nc2ccncc2cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587780022	HJ	Annotated	Anodyne	
COc1ccc2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1	ZINC000587780040	HJ	Annotated	Anodyne	
COc1ccc2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1	ZINC000587780043	HJ	Annotated	Anodyne	
COc1ccc2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1	ZINC000587780044	HJ	Annotated	Anodyne	
COc1ccc2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1	ZINC000587780045	HJ	Annotated	Anodyne	
CC(C)[C@]1(c2ccc3nc(O)oc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587780055	HJ	Annotated	Anodyne	
CC(C)[C@@]1(c2ccc3nc(O)oc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587780056	HJ	Annotated	Anodyne	
CC(C)[C@]1(c2ccc3nc(O)oc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587780057	HJ	Annotated	Anodyne	
CC(C)[C@@]1(c2ccc3nc(O)oc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587780058	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C=O)c2ccc3ccccc3n2)N1	ZINC000587780063	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C=O)c2ccc3ccccc3n2)N1	ZINC000587780064	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C=O)c2ccc3ccccc3n2)N1	ZINC000587780065	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C=O)c2ccc3ccccc3n2)N1	ZINC000587780067	HJ	Annotated	Mild	
Cc1ccc2nc(O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1	ZINC000587780169	HJ	Annotated	Anodyne	
Cc1ccc2nc(O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1	ZINC000587780170	HJ	Annotated	Anodyne	
Cc1ccc2nc(O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1	ZINC000587780171	HJ	Annotated	Anodyne	
Cc1ccc2nc(O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1	ZINC000587780172	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3cccnc3)ccc2O)N1	ZINC000587780261	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3cccnc3)ccc2O)N1	ZINC000587780262	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3cccnc3)ccc2O)N1	ZINC000587780263	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3cccnc3)ccc2O)N1	ZINC000587780265	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C=O)c2ccnc3ccccc23)N1	ZINC000587780283	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C=O)c2ccnc3ccccc23)N1	ZINC000587780284	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C=O)c2ccnc3ccccc23)N1	ZINC000587780285	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C=O)c2ccnc3ccccc23)N1	ZINC000587780286	HJ	Annotated	Mild	
COc1cccc(OCc2ccc(-c3nc4nc(Br)ccc4[nH]3)cc2)c1	ZINC000587780520	HJ	Annotated	Anodyne	
Brc1cnc(Br)c2[nH]c(COC/C=C\c3ccccc3)nc12	ZINC000587780785	HJ	Annotated	Anodyne	
Brc1cnc(Br)c2[nH]c(COC/C=C/c3ccccc3)nc12	ZINC000587780786	HJ	Annotated	Anodyne	
O=C(Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)OCc1ccccc1	ZINC000587780979	HJ	Annotated	Anodyne	
O=C(Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)OCc1ccccc1	ZINC000587781002	HJ	Annotated	Anodyne	
CCC[C@H](CC1(c2nc3ccnc(N)c3[nH]2)CCCC1)C(=O)OCc1ccccc1	ZINC000587781025	HJ	Annotated	Anodyne	
CCC[C@@H](CC1(c2nc3ccnc(N)c3[nH]2)CCCC1)C(=O)OCc1ccccc1	ZINC000587781026	HJ	Annotated	Anodyne	
CCCCOc1cc2nc(CC(=O)OCc3ccccc3)[nH]c2cc1Br	ZINC000587781429	HJ	Annotated	Anodyne	
COc1cccc(OCc2ccc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2)c1	ZINC000587781503	HJ	Annotated	Anodyne	
O=C(Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)OCc1ccccc1	ZINC000587781590	HJ	Annotated	Anodyne	
O=C(Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)OCc1ccccc1	ZINC000587781613	HJ	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc12	ZINC000587782188	HJ	Annotated	Anodyne	
CCC[C@H](CC1(c2nc3cc(N)ncc3[nH]2)CCCC1)C(=O)OCc1ccccc1	ZINC000587782328	HJ	Annotated	Anodyne	
CCC[C@@H](CC1(c2nc3cc(N)ncc3[nH]2)CCCC1)C(=O)OCc1ccccc1	ZINC000587782329	HJ	Annotated	Anodyne	
O=C(Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)OCc1ccccc1	ZINC000587782342	HJ	Annotated	Anodyne	
CCC[C@H](CC1(c2nc3c(N)ccnc3[nH]2)CCCC1)C(=O)OCc1ccccc1	ZINC000587782351	HJ	Annotated	Anodyne	
CCC[C@@H](CC1(c2nc3c(N)ccnc3[nH]2)CCCC1)C(=O)OCc1ccccc1	ZINC000587782353	HJ	Annotated	Anodyne	
Oc1ccc(OCc2ccccc2)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587782479	HJ	Annotated	Anodyne	
Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1	ZINC000587782498	HJ	Annotated	Anodyne	
Oc1ccc(OCc2ccccc2)cc1-c1nc2c(F)cnc(Br)c2[nH]1	ZINC000587782815	HJ	Annotated	Anodyne	
Cc1nc2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc2cc1Br	ZINC000587782973	HJ	Annotated	Anodyne	
Oc1ccc(OCc2ccccc2)cc1-c1nc2ccc(Br)c(O)c2[nH]1	ZINC000587783159	HJ	Annotated	Anodyne	
COC(=O)Cc1ccccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1	ZINC000587783244	HJ	Annotated	Anodyne	
COC(=O)Cc1ccccc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1	ZINC000587783275	HJ	Annotated	Anodyne	
COC(=O)Cc1ccccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1	ZINC000587783360	HJ	Annotated	Anodyne	
COC(=O)Cc1ccccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1	ZINC000587783383	HJ	Annotated	Anodyne	
Brc1c[nH]c2nc(/C=C/c3ccc(OCc4ccccc4)cc3)nc-2n1	ZINC000587783385	HJ	Annotated	Anodyne	
Brc1c[nH]c2nc(/C=C\c3ccc(OCc4ccccc4)cc3)nc-2n1	ZINC000587783386	HJ	Annotated	Anodyne	
CCCCOc1cc2nc(-c3ccccc3CC(=O)OC)[nH]c2cc1Br	ZINC000587783507	HJ	Annotated	Anodyne	
O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCOCC3CC3)[nH]c12	ZINC000587783852	HJ	Annotated	Anodyne	
N=c1[nH]cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc-2[nH]1	ZINC000587783879	HJ	Annotated	Anodyne	
CCCOc1cc2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2cc1Br	ZINC000587784044	HJ	Annotated	Anodyne	
COc1cc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc(OC)c1O	ZINC000587784202	HJ	Annotated	Anodyne	
O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CCOCC3CC3)[nH]c12	ZINC000587784360	HJ	Annotated	Anodyne	
COc1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(OC)c1O	ZINC000587784569	HJ	Annotated	Anodyne	
Oc1nc(O)c2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2n1	ZINC000587784592	HJ	Annotated	Anodyne	
Brc1cc2[nH]c(CCOCC3CC3)nc2cc1OCc1ccccc1	ZINC000587784671	HJ	Annotated	Anodyne	
COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1	ZINC000587784806	HJ	Annotated	Anodyne	
COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1	ZINC000587784807	HJ	Annotated	Anodyne	
COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1	ZINC000587784808	HJ	Annotated	Anodyne	
COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1	ZINC000587784809	HJ	Annotated	Anodyne	
COc1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(OC)c1O	ZINC000587784861	HJ	Annotated	Anodyne	
COc1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(OC)c1O	ZINC000587784866	HJ	Annotated	Anodyne	
COc1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc(OC)c1O	ZINC000587785044	HJ	Annotated	Anodyne	
COc1cc(/C=C\c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc(O)c1O	ZINC000587785438	HJ	Annotated	Clean	
COc1cc(/C=C/c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc(O)c1O	ZINC000587785440	HJ	Annotated	Clean	
COc1ccc(-c2cccc(-c3nc4c(F)cnc(Br)c4[nH]3)c2)cc1O	ZINC000587785593	HJ	Annotated	Anodyne	
COc1ccc(C=O)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1	ZINC000587785770	HJ	Annotated	Anodyne	
COc1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(OC)c1O	ZINC000587785979	HJ	Annotated	Anodyne	
CCCOc1cc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2cc1Br	ZINC000587786015	HJ	Annotated	Clean	
CCCOc1cc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2cc1Br	ZINC000587786017	HJ	Annotated	Clean	
COc1ccc(C=O)c(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)c1OC	ZINC000587786102	HJ	Annotated	Anodyne	
COc1cccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1O	ZINC000587786316	HJ	Annotated	Anodyne	
CCCCOc1cc2nc(-c3cc(C=O)ccc3OC)[nH]c2cc1Br	ZINC000587786324	HJ	Annotated	Anodyne	
COc1ccc(C)cc1C(=O)CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000587786548	HJ	Annotated	Anodyne	
COc1ccc(C)cc1C(=O)CCc1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000587786571	HJ	Annotated	Anodyne	
COc1ccc(C=O)cc1-c1nc2cc(Br)c(Br)cc2[nH]1	ZINC000587786589	HJ	Annotated	Anodyne	
COc1ccc(-c2cccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)cc1O	ZINC000587786646	HJ	Annotated	Anodyne	
COc1cc(/C=C\c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc(O)c1O	ZINC000587786829	HJ	Annotated	Clean	
COc1cc(/C=C/c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc(O)c1O	ZINC000587786835	HJ	Annotated	Clean	
COC(=O)c1cc2nc(-c3cccc(OC)c3O)[nH]c2c(F)c1Nc1ccccc1	ZINC000587787058	HJ	Annotated	Anodyne	
COc1ccc(C=O)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1	ZINC000587787182	HJ	Annotated	Anodyne	
CCCOc1cc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2cc1Br	ZINC000587787253	HJ	Annotated	Anodyne	
COc1ccc(C=O)c(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c1OC	ZINC000587787294	HJ	Annotated	Anodyne	
CCCCOc1cc2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2cc1Br	ZINC000587787343	HJ	Annotated	Anodyne	
COc1ccc(C=O)cc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1	ZINC000587787634	HJ	Annotated	Anodyne	
COc1ccc(C=O)cc1-c1nc2c(Br)ccc(Br)c2[nH]1	ZINC000587787658	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(-c3cccc(-c4ccc(OC)c(O)c4)c3)[nH]c2c1	ZINC000587787669	HJ	Annotated	Anodyne	
COc1ccc(C)cc1C(=O)CCc1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000587787742	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(-c3cc(C=O)ccc3OC)[nH]c2c(F)c1Nc1ccccc1	ZINC000587787800	HJ	Annotated	Anodyne	
COc1cccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1O	ZINC000587787811	HJ	Annotated	Anodyne	
COc1cc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc(OC)c1O	ZINC000587787830	HJ	Annotated	Anodyne	
COc1ccc(C)cc1C(=O)CCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	ZINC000587787888	HJ	Annotated	Anodyne	
COc1ccc(C)cc1C(=O)CCc1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587788138	HJ	Annotated	Anodyne	
COc1ccc(C=O)cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1	ZINC000587788170	HJ	Annotated	Anodyne	
COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccccc2[nH]1	ZINC000587788340	HJ	Annotated	Anodyne	
COc1cc(-c2ccc[nH]2)[nH]c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587789106	HJ	Annotated	Anodyne	
COc1cc(-c2ccc[nH]2)[nH]c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587789108	HJ	Annotated	Anodyne	
COc1cc(-c2ccc[nH]2)[nH]c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587789110	HJ	Annotated	Anodyne	
COc1cc(-c2ccc[nH]2)[nH]c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587789111	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)([C@H]2CCCNC2)N1	ZINC000587789129	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)([C@@H]2CCCNC2)N1	ZINC000587789134	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)([C@H]2CCCNC2)N1	ZINC000587789136	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)([C@@H]2CCCNC2)N1	ZINC000587789138	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(C(C)(C)C)cc12	ZINC000587789148	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(C(C)(C)C)cc12	ZINC000587789149	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(C(C)(C)C)cc12	ZINC000587789151	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(C(C)(C)C)cc12	ZINC000587789153	HJ	Annotated	Anodyne	
COc1ccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587789155	HJ	Annotated	Anodyne	
COc1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587789156	HJ	Annotated	Anodyne	
COc1ccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587789158	HJ	Annotated	Anodyne	
COc1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587789159	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(C(C)(C)C)cccc12	ZINC000587789217	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(C(C)(C)C)cccc12	ZINC000587789219	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(C(C)(C)C)cccc12	ZINC000587789221	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(C(C)(C)C)cccc12	ZINC000587789224	HJ	Annotated	Anodyne	
CCOC(=O)c1c(C)[nH]c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587789370	HJ	Annotated	Anodyne	
CCOC(=O)c1c(C)[nH]c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587789375	HJ	Annotated	Anodyne	
CCOC(=O)c1c(C)[nH]c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587789378	HJ	Annotated	Anodyne	
CCOC(=O)c1c(C)[nH]c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587789380	HJ	Annotated	Anodyne	
Cc1noc(-c2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)n1	ZINC000587789607	HJ	Annotated	Anodyne	
Cc1noc(-c2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)n1	ZINC000587789613	HJ	Annotated	Anodyne	
Cc1noc(-c2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)n1	ZINC000587789616	HJ	Annotated	Anodyne	
Cc1noc(-c2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)n1	ZINC000587789618	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2CCCCN2)N1	ZINC000587789681	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H]2CCCCN2)N1	ZINC000587789684	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2CCCCN2)N1	ZINC000587789686	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CCCCN2)N1	ZINC000587789689	HJ	Annotated	Anodyne	
Cc1cccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587789692	HJ	Annotated	Anodyne	
Cc1cccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587789702	HJ	Annotated	Anodyne	
Cc1cccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587789706	HJ	Annotated	Anodyne	
Cc1cccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587789709	HJ	Annotated	Anodyne	
COc1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587789787	HJ	Annotated	Anodyne	
COc1ccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587789791	HJ	Annotated	Anodyne	
COc1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587789794	HJ	Annotated	Anodyne	
COc1ccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587789798	HJ	Annotated	Anodyne	
CCOC(OCC)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587789821	HJ	Annotated	Anodyne	
CCOC(OCC)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587789831	HJ	Annotated	Anodyne	
CCOC(OCC)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587789835	HJ	Annotated	Anodyne	
CCOC(OCC)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587789838	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2n[nH]c3ccccc23)N1	ZINC000587789863	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2n[nH]c3ccccc23)N1	ZINC000587789866	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2n[nH]c3ccccc23)N1	ZINC000587789869	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2n[nH]c3ccccc23)N1	ZINC000587789872	HJ	Annotated	Anodyne	
Cc1noc(-c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587789904	HJ	Annotated	Anodyne	
Cc1noc(-c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587789907	HJ	Annotated	Anodyne	
Cc1noc(-c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587789909	HJ	Annotated	Anodyne	
Cc1noc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587789911	HJ	Annotated	Anodyne	
COc1ccc(-c2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)no2)cc1	ZINC000587790017	HJ	Annotated	Anodyne	
COc1ccc(-c2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)no2)cc1	ZINC000587790019	HJ	Annotated	Anodyne	
COc1ccc(-c2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)no2)cc1	ZINC000587790021	HJ	Annotated	Anodyne	
COc1ccc(-c2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)no2)cc1	ZINC000587790023	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2[C@H](C(=O)OC(C)(C)C)C2(C)C)N1	ZINC000587790155	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2[C@@H](C(=O)OC(C)(C)C)C2(C)C)N1	ZINC000587790158	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2[C@@H](C(=O)OC(C)(C)C)C2(C)C)N1	ZINC000587790160	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2[C@H](C(=O)OC(C)(C)C)C2(C)C)N1	ZINC000587790161	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1	ZINC000587790361	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1	ZINC000587790362	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1	ZINC000587790364	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1	ZINC000587790365	HJ	Annotated	Anodyne	
Cc1nc(-c2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)no1	ZINC000587790492	HJ	Annotated	Anodyne	
Cc1nc(-c2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)no1	ZINC000587790494	HJ	Annotated	Anodyne	
Cc1nc(-c2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)no1	ZINC000587790496	HJ	Annotated	Anodyne	
Cc1nc(-c2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)no1	ZINC000587790498	HJ	Annotated	Anodyne	
COc1ccc(OC)c(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1OC	ZINC000587790567	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2=CNCCC2)(c2ccccc2)N1	ZINC000587790572	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2=CNCCC2)(c2ccccc2)N1	ZINC000587790574	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2=CNCCC2)(c2ccccc2)N1	ZINC000587790576	HJ	Annotated	Anodyne	
CC[C@H](C)c1[nH]c(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587790577	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2=CNCCC2)(c2ccccc2)N1	ZINC000587790578	HJ	Annotated	Anodyne	
CC[C@H](C)c1[nH]c(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587790581	HJ	Annotated	Anodyne	
CC[C@H](C)c1[nH]c(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587790582	HJ	Annotated	Anodyne	
CC[C@H](C)c1[nH]c(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587790583	HJ	Annotated	Anodyne	
CCOC(=O)c1[nH]c(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587790627	HJ	Annotated	Anodyne	
CCOC(=O)c1[nH]c(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587790628	HJ	Annotated	Anodyne	
CCOC(=O)c1[nH]c(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587790629	HJ	Annotated	Anodyne	
CCOC(=O)c1[nH]c(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587790630	HJ	Annotated	Anodyne	
COc1ccccc1-c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)on1	ZINC000587791024	HJ	Annotated	Anodyne	
COc1ccccc1-c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)on1	ZINC000587791026	HJ	Annotated	Anodyne	
COc1ccccc1-c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)on1	ZINC000587791028	HJ	Annotated	Anodyne	
COc1ccccc1-c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)on1	ZINC000587791030	HJ	Annotated	Anodyne	
Cc1noc(-c2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)n1	ZINC000587791051	HJ	Annotated	Anodyne	
Cc1noc(-c2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)n1	ZINC000587791053	HJ	Annotated	Anodyne	
Cc1noc(-c2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)n1	ZINC000587791055	HJ	Annotated	Anodyne	
Cc1noc(-c2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)n1	ZINC000587791057	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(=O)OC(C)(C)C)CC2)N1	ZINC000587791197	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(=O)OC(C)(C)C)CC2)N1	ZINC000587791198	HJ	Annotated	Anodyne	
CCOC(=O)c1[nH]c(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587791293	HJ	Annotated	Anodyne	
CCOC(=O)c1[nH]c(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587791295	HJ	Annotated	Anodyne	
CCOC(=O)c1[nH]c(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587791297	HJ	Annotated	Anodyne	
CCOC(=O)c1[nH]c(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587791299	HJ	Annotated	Anodyne	
COCCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587791314	HJ	Annotated	Anodyne	
COCCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587791316	HJ	Annotated	Anodyne	
COCCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587791318	HJ	Annotated	Anodyne	
COCCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587791320	HJ	Annotated	Anodyne	
CCc1nnc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)o1	ZINC000587791737	HJ	Annotated	Anodyne	
CCc1nnc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)o1	ZINC000587791742	HJ	Annotated	Anodyne	
CCc1nnc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)o1	ZINC000587791743	HJ	Annotated	Anodyne	
CCc1nnc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)o1	ZINC000587791744	HJ	Annotated	Anodyne	
COCCCOc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587791899	HJ	Annotated	Anodyne	
COCCCOc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587791900	HJ	Annotated	Anodyne	
COCCCOc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587791901	HJ	Annotated	Anodyne	
COCCCOc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587791902	HJ	Annotated	Anodyne	
Cc1ccc2[nH]c(C(=O)O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1	ZINC000587792043	HJ	Annotated	Anodyne	
Cc1ccc2[nH]c(C(=O)O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1	ZINC000587792045	HJ	Annotated	Anodyne	
Cc1ccc2[nH]c(C(=O)O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1	ZINC000587792047	HJ	Annotated	Anodyne	
Cc1ccc2[nH]c(C(=O)O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1	ZINC000587792049	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2[C@H](C(=O)OC(C)(C)C)C2(C)C)N1	ZINC000587792173	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2[C@H](C(=O)OC(C)(C)C)C2(C)C)N1	ZINC000587792174	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2[C@@H](C(=O)OC(C)(C)C)C2(C)C)N1	ZINC000587792175	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2[C@@H](C(=O)OC(C)(C)C)C2(C)C)N1	ZINC000587792176	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(CC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587792307	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(CC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587792308	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(CC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587792310	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(CC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587792312	HJ	Annotated	Anodyne	
Cc1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587792349	HJ	Annotated	Anodyne	
Cc1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587792351	HJ	Annotated	Anodyne	
Cc1ccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587792353	HJ	Annotated	Anodyne	
Cc1ccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587792355	HJ	Annotated	Anodyne	
CCOC(=O)c1c(C)[nH]c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587792555	HJ	Annotated	Anodyne	
CCOC(=O)c1c(C)[nH]c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587792557	HJ	Annotated	Anodyne	
CCOC(=O)c1c(C)[nH]c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587792559	HJ	Annotated	Anodyne	
CCOC(=O)c1c(C)[nH]c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587792561	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CCC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587792775	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CCC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587792783	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CCC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587792786	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CCC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587792788	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(CC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587792875	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(CC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587792877	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(CC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587792881	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(CC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587792882	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587792905	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587792908	HJ	Annotated	Anodyne	
Cc1cccc([C@]2(c3cnc[nH]3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587793167	HJ	Annotated	Anodyne	
Cc1cccc([C@@]2(c3cnc[nH]3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587793171	HJ	Annotated	Anodyne	
Cc1cccc([C@@]2(c3cnc[nH]3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587793173	HJ	Annotated	Anodyne	
Cc1cccc([C@]2(c3cnc[nH]3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C	ZINC000587793175	HJ	Annotated	Anodyne	
COc1cc(-c2ccc[nH]2)[nH]c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587793223	HJ	Annotated	Anodyne	
COc1cc(-c2ccc[nH]2)[nH]c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587793225	HJ	Annotated	Anodyne	
COc1cc(-c2ccc[nH]2)[nH]c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587793227	HJ	Annotated	Anodyne	
COc1cc(-c2ccc[nH]2)[nH]c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587793228	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587793290	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587793292	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587793328	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587793332	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587793334	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587793336	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587793429	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587793431	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587793432	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587793433	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587793436	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587793437	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587793438	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587793439	HJ	Annotated	Anodyne	
CC(C)COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1	ZINC000587793516	HJ	Annotated	Clean	
CC(C)COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1	ZINC000587793517	HJ	Annotated	Clean	
CC(C)COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1	ZINC000587793518	HJ	Annotated	Clean	
CC(C)COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1	ZINC000587793519	HJ	Annotated	Clean	
CC(C)COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1	ZINC000587793552	HJ	Annotated	Clean	
CC(C)COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1	ZINC000587793553	HJ	Annotated	Clean	
CC(C)COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1	ZINC000587793554	HJ	Annotated	Clean	
CC(C)COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1	ZINC000587793555	HJ	Annotated	Clean	
Cc1ccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587793733	HJ	Annotated	Anodyne	
Cc1ccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587793740	HJ	Annotated	Anodyne	
Cc1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587793742	HJ	Annotated	Anodyne	
Cc1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587793743	HJ	Annotated	Anodyne	
Cc1noc(-c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587793817	HJ	Annotated	Anodyne	
Cc1noc(-c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587793818	HJ	Annotated	Anodyne	
Cc1noc(-c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587793819	HJ	Annotated	Anodyne	
Cc1noc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587793820	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2nc(-c3ccccc3)no2)N1	ZINC000587793911	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](Cc1ccccc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587793935	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](Cc1ccccc1)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587793938	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](Cc1ccccc1)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587793940	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](Cc1ccccc1)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587793942	HJ	Annotated	Anodyne	
COCCCOc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587793958	HJ	Annotated	Anodyne	
COCCCOc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587793975	HJ	Annotated	Anodyne	
COCCCOc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587793978	HJ	Annotated	Anodyne	
COCCCOc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587793979	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](CC)[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794000	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](CC)[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794004	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](CC)[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794008	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](CC)[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794010	HJ	Annotated	Anodyne	
CCCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794053	HJ	Annotated	Anodyne	
CCCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794055	HJ	Annotated	Anodyne	
CCCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794057	HJ	Annotated	Anodyne	
CCCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794058	HJ	Annotated	Anodyne	
Cc1cccc([C@@]2(c3cnc[nH]3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587794231	HJ	Annotated	Anodyne	
Cc1cccc([C@]2(c3cnc[nH]3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587794232	HJ	Annotated	Anodyne	
Cc1cccc([C@]2(c3cnc[nH]3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587794233	HJ	Annotated	Anodyne	
Cc1cccc([C@@]2(c3cnc[nH]3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C	ZINC000587794234	HJ	Annotated	Anodyne	
CCOCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC	ZINC000587794246	HJ	Annotated	Anodyne	
CCOCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC	ZINC000587794247	HJ	Annotated	Anodyne	
CCOCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC	ZINC000587794248	HJ	Annotated	Anodyne	
CCOCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC	ZINC000587794249	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC(C)(C)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587794254	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC(C)(C)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587794255	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC(C)(C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587794256	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC(C)(C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587794257	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2nc(-c3ccccc3)no2)N1	ZINC000587794346	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2nc(-c3ccccc3)no2)N1	ZINC000587794348	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2nc(-c3ccccc3)no2)N1	ZINC000587794350	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2=CNCCC2)(c2ccccc2)N1	ZINC000587794359	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2=CNCCC2)(c2ccccc2)N1	ZINC000587794361	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2=CNCCC2)(c2ccccc2)N1	ZINC000587794362	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2=CNCCC2)(c2ccccc2)N1	ZINC000587794364	HJ	Annotated	Anodyne	
CCCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587794479	HJ	Annotated	Anodyne	
CCCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587794480	HJ	Annotated	Anodyne	
CCCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587794481	HJ	Annotated	Anodyne	
CCCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587794482	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)no2)N1	ZINC000587794534	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)no2)N1	ZINC000587794536	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)no2)N1	ZINC000587794538	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)no2)N1	ZINC000587794539	HJ	Annotated	Anodyne	
CCOC(=O)c1ccccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794786	HJ	Annotated	Anodyne	
CCOC(=O)c1ccccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794787	HJ	Annotated	Anodyne	
CCOC(=O)c1ccccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794788	HJ	Annotated	Anodyne	
CCOC(=O)c1ccccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794789	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C1CCCC1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587794818	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C1CCCC1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587794819	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C1CCCC1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587794820	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C1CCCC1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587794821	HJ	Annotated	Anodyne	
CCCC[C@H](C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794822	HJ	Annotated	Anodyne	
CCCC[C@H](C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794823	HJ	Annotated	Anodyne	
CCCC[C@H](C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794824	HJ	Annotated	Anodyne	
CCCC[C@H](C(=O)OCC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794825	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2cccc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794846	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2cccc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794847	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2cccc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794848	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2cccc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794849	HJ	Annotated	Anodyne	
Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794872	HJ	Annotated	Anodyne	
Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794873	HJ	Annotated	Anodyne	
Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794874	HJ	Annotated	Anodyne	
Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587794875	HJ	Annotated	Anodyne	
C#CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CC=C	ZINC000587795068	HJ	Annotated	Mild	
C#CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CC=C	ZINC000587795076	HJ	Annotated	Mild	
C#CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CC=C	ZINC000587795078	HJ	Annotated	Mild	
C#CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CC=C	ZINC000587795081	HJ	Annotated	Mild	
CCOC(=O)[C@@H]1CCCCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587795201	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587795203	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587795206	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587795209	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(C(C)(C)C)cc12	ZINC000587795238	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(C(C)(C)C)cc12	ZINC000587795242	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CCC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795245	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(C(C)(C)C)cc12	ZINC000587795246	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CCC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795248	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CCC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795250	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(C(C)(C)C)cc12	ZINC000587795251	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CCC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795252	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(c2ccc(C)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795398	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2ccc(C)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795399	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(c2ccc(C)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795400	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2ccc(C)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795401	HJ	Annotated	Anodyne	
CCOC(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587795403	HJ	Annotated	Anodyne	
CCOC(=O)c1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587795406	HJ	Annotated	Anodyne	
CCOC(=O)c1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587795407	HJ	Annotated	Anodyne	
CCOC(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587795409	HJ	Annotated	Anodyne	
Cc1ccc2[nH]c(C(=O)O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1	ZINC000587795466	HJ	Annotated	Anodyne	
Cc1ccc2[nH]c(C(=O)O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1	ZINC000587795467	HJ	Annotated	Anodyne	
Cc1ccc2[nH]c(C(=O)O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1	ZINC000587795469	HJ	Annotated	Anodyne	
Cc1ccc2[nH]c(C(=O)O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1	ZINC000587795471	HJ	Annotated	Anodyne	
COc1ccccc1-c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)on1	ZINC000587795505	HJ	Annotated	Anodyne	
COc1ccccc1-c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)on1	ZINC000587795507	HJ	Annotated	Anodyne	
COc1ccccc1-c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)on1	ZINC000587795509	HJ	Annotated	Anodyne	
COc1ccccc1-c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)on1	ZINC000587795511	HJ	Annotated	Anodyne	
CC[C@H](C)c1[nH]c(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587795538	HJ	Annotated	Anodyne	
CC[C@H](C)c1[nH]c(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587795539	HJ	Annotated	Anodyne	
CC[C@H](C)c1[nH]c(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587795540	HJ	Annotated	Anodyne	
CC[C@H](C)c1[nH]c(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587795541	HJ	Annotated	Anodyne	
Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587795550	HJ	Annotated	Anodyne	
Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587795551	HJ	Annotated	Anodyne	
Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587795552	HJ	Annotated	Anodyne	
Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587795553	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795728	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795731	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795734	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795737	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](c1ccccc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795740	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](c1ccccc1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795743	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](c1ccccc1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795747	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](c1ccccc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795749	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(CCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587795797	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(CCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587795800	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(CCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587795803	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(CCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587795805	HJ	Annotated	Anodyne	
CCOC(=O)C(CC)(CC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587795948	HJ	Annotated	Anodyne	
CCOC(=O)C(CC)(CC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587795951	HJ	Annotated	Anodyne	
CCOC(=O)C(CC)(CC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587795959	HJ	Annotated	Anodyne	
CCOC(=O)C(CC)(CC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587795961	HJ	Annotated	Anodyne	
Cc1nnc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)o1	ZINC000587796149	HJ	Annotated	Anodyne	
Cc1nnc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)o1	ZINC000587796150	HJ	Annotated	Anodyne	
Cc1nnc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)o1	ZINC000587796151	HJ	Annotated	Anodyne	
Cc1nnc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)o1	ZINC000587796152	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587796382	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587796383	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587796384	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587796385	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587796431	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587796433	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587796435	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587796437	HJ	Annotated	Anodyne	
CCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C	ZINC000587796466	HJ	Annotated	Clean	
CCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C	ZINC000587796469	HJ	Annotated	Clean	
CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C	ZINC000587796471	HJ	Annotated	Clean	
CCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C	ZINC000587796474	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1	ZINC000587796600	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1	ZINC000587796601	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1	ZINC000587796602	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1	ZINC000587796603	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2CCCCN2)N1	ZINC000587796646	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2CCCCN2)N1	ZINC000587796647	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2CCCCN2)N1	ZINC000587796648	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H]2CCCCN2)N1	ZINC000587796649	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(=O)OC(C)(C)C)CC2)N1	ZINC000587797290	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(=O)OC(C)(C)C)CC2)N1	ZINC000587797292	HJ	Annotated	Anodyne	
COCCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587797500	HJ	Annotated	Anodyne	
COCCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587797501	HJ	Annotated	Anodyne	
COCCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587797502	HJ	Annotated	Anodyne	
COCCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587797503	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(c2cc(C)ccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587797675	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2cc(C)ccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587797676	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(c2cc(C)ccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587797678	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2cc(C)ccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587797679	HJ	Annotated	Anodyne	
CCOC(=O)C(CC)(CC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587797680	HJ	Annotated	Anodyne	
CCOC(=O)C(CC)(CC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587797682	HJ	Annotated	Anodyne	
CCOC(=O)C(CC)(CC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587797683	HJ	Annotated	Anodyne	
Cc1nnc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)o1	ZINC000587797684	HJ	Annotated	Anodyne	
CCOC(=O)C(CC)(CC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587797685	HJ	Annotated	Anodyne	
Cc1nnc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)o1	ZINC000587797686	HJ	Annotated	Anodyne	
Cc1nnc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)o1	ZINC000587797688	HJ	Annotated	Anodyne	
Cc1nnc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)o1	ZINC000587797690	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)on2)c1	ZINC000587797721	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)on2)c1	ZINC000587797722	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)on2)c1	ZINC000587797723	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)on2)c1	ZINC000587797724	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2nc(-c3ccccc3)no2)N1	ZINC000587797737	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2nc(-c3ccccc3)no2)N1	ZINC000587797738	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2nc(-c3ccccc3)no2)N1	ZINC000587797739	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2nc(-c3ccccc3)no2)N1	ZINC000587797740	HJ	Annotated	Anodyne	
CCCOc1cc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2cc1Br	ZINC000587797746	HJ	Annotated	Anodyne	
COc1ccc(-c2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)no2)cc1	ZINC000587797753	HJ	Annotated	Anodyne	
COc1ccc(-c2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)no2)cc1	ZINC000587797754	HJ	Annotated	Anodyne	
COc1ccc(-c2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)no2)cc1	ZINC000587797755	HJ	Annotated	Anodyne	
COc1ccc(-c2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)no2)cc1	ZINC000587797756	HJ	Annotated	Anodyne	
CCOC(OCC)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587797848	HJ	Annotated	Anodyne	
CCOC(OCC)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587797849	HJ	Annotated	Anodyne	
CCOC(OCC)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587797850	HJ	Annotated	Anodyne	
CCOC(OCC)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587797851	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(C(C)(C)C)cccc12	ZINC000587797860	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(C(C)(C)C)cccc12	ZINC000587797861	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(C(C)(C)C)cccc12	ZINC000587797862	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(C(C)(C)C)cccc12	ZINC000587797863	HJ	Annotated	Anodyne	
C#CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CC=C	ZINC000587797868	HJ	Annotated	Mild	
C#CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CC=C	ZINC000587797869	HJ	Annotated	Mild	
C#CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CC=C	ZINC000587797870	HJ	Annotated	Mild	
C#CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CC=C	ZINC000587797871	HJ	Annotated	Mild	
CCOC(=O)C[C@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798003	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798006	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798008	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798009	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C2CCCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798094	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(C2CCCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798097	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C2CCCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798100	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(C2CCCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798102	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(c2cc(C)cc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587798116	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2cc(C)cc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587798119	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(c2cc(C)cc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587798121	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2cc(C)cc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587798123	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(c2cc(C)cc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798188	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2cc(C)cc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798189	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(c2cc(C)cc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798190	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2cc(C)cc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798191	HJ	Annotated	Anodyne	
CCc1nnc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)o1	ZINC000587798368	HJ	Annotated	Anodyne	
CCc1nnc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)o1	ZINC000587798369	HJ	Annotated	Anodyne	
CCc1nnc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)o1	ZINC000587798370	HJ	Annotated	Anodyne	
CCc1nnc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)o1	ZINC000587798371	HJ	Annotated	Anodyne	
COCCCOc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587798432	HJ	Annotated	Anodyne	
COCCCOc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587798433	HJ	Annotated	Anodyne	
COCCCOc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587798434	HJ	Annotated	Anodyne	
COCCCOc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587798435	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](CC)[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798495	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](CC)[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798497	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](CC)[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798499	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](CC)[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798501	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587798503	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587798505	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587798507	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587798509	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2cccc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798550	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2cccc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798552	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2cccc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798554	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2cccc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798556	HJ	Annotated	Anodyne	
CCOCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC	ZINC000587798594	HJ	Annotated	Anodyne	
CCOCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC	ZINC000587798595	HJ	Annotated	Anodyne	
CCOCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC	ZINC000587798596	HJ	Annotated	Anodyne	
CCOCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC	ZINC000587798597	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](c1ccccc1)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587798610	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](c1ccccc1)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587798611	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](c1ccccc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587798612	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](c1ccccc1)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587798613	HJ	Annotated	Anodyne	
COCCCOc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587798830	HJ	Annotated	Anodyne	
COCCCOc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587798831	HJ	Annotated	Anodyne	
COCCCOc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587798833	HJ	Annotated	Anodyne	
COCCCOc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587798834	HJ	Annotated	Anodyne	
Cc1nc(-c2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)no1	ZINC000587798855	HJ	Annotated	Anodyne	
Cc1nc(-c2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)no1	ZINC000587798857	HJ	Annotated	Anodyne	
Cc1nc(-c2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)no1	ZINC000587798859	HJ	Annotated	Anodyne	
Cc1nc(-c2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)no1	ZINC000587798861	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(c2ccc(C)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798934	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2ccc(C)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798935	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(c2ccc(C)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798936	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2ccc(C)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798937	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(CCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587798950	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(CCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587798951	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(CCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587798952	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(CCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587798953	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](c1ccccc1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798978	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](c1ccccc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798979	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](c1ccccc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798980	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](c1ccccc1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798981	HJ	Annotated	Anodyne	
C=CCOc1c(OC)cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799168	HJ	Annotated	Mild	
C=CCOc1c(OC)cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799169	HJ	Annotated	Mild	
C=CCOc1c(OC)cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799170	HJ	Annotated	Mild	
C=CCOc1c(OC)cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799171	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)no2)N1	ZINC000587799250	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)no2)N1	ZINC000587799252	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)no2)N1	ZINC000587799254	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)no2)N1	ZINC000587799256	HJ	Annotated	Anodyne	
CCOC(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587799285	HJ	Annotated	Anodyne	
CCOC(=O)c1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587799286	HJ	Annotated	Anodyne	
CCOC(=O)c1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587799288	HJ	Annotated	Anodyne	
CCOC(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587799290	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC(C)(C)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587799316	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC(C)(C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587799318	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC(C)(C)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587799320	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC(C)(C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587799322	HJ	Annotated	Anodyne	
CCc1noc(C2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)n1	ZINC000587799323	HJ	Annotated	Anodyne	
CCc1noc(C2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)n1	ZINC000587799325	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799359	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799364	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799366	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799367	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](Cc1ccccc1)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799370	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](Cc1ccccc1)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799371	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)on2)c1	ZINC000587799480	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)on2)c1	ZINC000587799482	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)on2)c1	ZINC000587799483	HJ	Annotated	Anodyne	
COc1cccc(-c2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)on2)c1	ZINC000587799485	HJ	Annotated	Anodyne	
CCc1noc(C2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)n1	ZINC000587799505	HJ	Annotated	Anodyne	
CCc1noc(C2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)n1	ZINC000587799507	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](Cc1ccccc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799566	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](Cc1ccccc1)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799567	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C1CCCC1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799572	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C1CCCC1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799573	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C1CCCC1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799574	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C1CCCC1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799575	HJ	Annotated	Anodyne	
CCOC(=O)c1ccccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799580	HJ	Annotated	Anodyne	
CCOC(=O)c1ccccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799581	HJ	Annotated	Anodyne	
CCOC(=O)c1ccccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799582	HJ	Annotated	Anodyne	
CCOC(=O)c1ccccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799583	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C2CCCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799675	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(C2CCCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799676	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C2CCCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799677	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(C2CCCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799678	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CC2CCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799683	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CC2CCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799684	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CC2CCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799693	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CC2CCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799694	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799926	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799927	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799928	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799929	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](c1ccccc1)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799952	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](c1ccccc1)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799953	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](c1ccccc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799954	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](c1ccccc1)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799955	HJ	Annotated	Anodyne	
Cc1cccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587800084	HJ	Annotated	Anodyne	
Cc1cccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587800085	HJ	Annotated	Anodyne	
Cc1cccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587800086	HJ	Annotated	Anodyne	
Cc1cccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587800087	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2n[nH]c3ccccc23)N1	ZINC000587800088	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2n[nH]c3ccccc23)N1	ZINC000587800089	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2n[nH]c3ccccc23)N1	ZINC000587800090	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2n[nH]c3ccccc23)N1	ZINC000587800091	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)([C@H]2CCCNC2)N1	ZINC000587800092	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)([C@@H]2CCCNC2)N1	ZINC000587800093	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)([C@H]2CCCNC2)N1	ZINC000587800094	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)([C@@H]2CCCNC2)N1	ZINC000587800095	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800167	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800168	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800169	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800171	HJ	Annotated	Anodyne	
CCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C	ZINC000587800177	HJ	Annotated	Clean	
CCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C	ZINC000587800178	HJ	Annotated	Clean	
CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C	ZINC000587800180	HJ	Annotated	Clean	
CCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C	ZINC000587800181	HJ	Annotated	Clean	
CCOC(=O)C[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587800456	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587800457	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587800458	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587800459	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(c2cc(C)ccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587800496	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2cc(C)ccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587800497	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(c2cc(C)ccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587800498	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2cc(C)ccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587800499	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800504	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800505	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800667	HJ	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800668	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CC2CCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587800677	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CC2CCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587800679	HJ	Annotated	Anodyne	
CCOC(=O)C[C@]1(CC2CCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587800681	HJ	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CC2CCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587800683	HJ	Annotated	Anodyne	
C=CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587800727	HJ	Annotated	Mild	
C=CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587800729	HJ	Annotated	Mild	
C=CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587800731	HJ	Annotated	Mild	
C=CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587800733	HJ	Annotated	Mild	
CCOC(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587800838	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587800839	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587800840	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587800841	HJ	Annotated	Anodyne	
CCCC[C@H](C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587800846	HJ	Annotated	Anodyne	
CCCC[C@H](C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587800847	HJ	Annotated	Anodyne	
CCCC[C@H](C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587800848	HJ	Annotated	Anodyne	
CCCC[C@H](C(=O)OCC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587800849	HJ	Annotated	Anodyne	
COc1ccc2[nH]cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1	ZINC000587801095	HJ	Annotated	Anodyne	
COc1ccc2[nH]cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1	ZINC000587801096	HJ	Annotated	Anodyne	
COc1ccc2[nH]cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1	ZINC000587801097	HJ	Annotated	Anodyne	
COc1ccc2[nH]cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1	ZINC000587801098	HJ	Annotated	Anodyne	
C#CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC	ZINC000587801377	HJ	Annotated	Mild	
C#CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC	ZINC000587801378	HJ	Annotated	Mild	
C#CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC	ZINC000587801379	HJ	Annotated	Mild	
C#CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC	ZINC000587801380	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2[nH]c2ccc(N)cc32)N1	ZINC000587801455	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2[nH]c2ccc(N)cc32)N1	ZINC000587801456	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2[nH]c2ccc(N)cc32)N1	ZINC000587801457	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2[nH]c2ccc(N)cc32)N1	ZINC000587801458	HJ	Annotated	Anodyne	
C=CCOc1cccc(O)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587801659	HJ	Annotated	Mild	
C=CCOc1cccc(O)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587801676	HJ	Annotated	Mild	
C=CCOc1cccc(O)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587801678	HJ	Annotated	Mild	
C=CCOc1cccc(O)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587801680	HJ	Annotated	Mild	
COc1ccc2c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1	ZINC000587801708	HJ	Annotated	Anodyne	
COc1ccc2c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1	ZINC000587801726	HJ	Annotated	Anodyne	
COc1ccc2c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1	ZINC000587801728	HJ	Annotated	Anodyne	
COc1ccc2c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1	ZINC000587801730	HJ	Annotated	Anodyne	
CCOc1cc(OC)ccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587801893	HJ	Annotated	Anodyne	
CCOc1cc(OC)ccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587801894	HJ	Annotated	Anodyne	
CCOc1cc(OC)ccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587801895	HJ	Annotated	Anodyne	
CCOc1cc(OC)ccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587801896	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](C#N)c2nc3ccccc3[nH]2)N1	ZINC000587802123	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C#N)c2nc3ccccc3[nH]2)N1	ZINC000587802124	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C#N)c2nc3ccccc3[nH]2)N1	ZINC000587802125	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](C#N)c2nc3ccccc3[nH]2)N1	ZINC000587802126	HJ	Annotated	Mild	
CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1OC	ZINC000587802253	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1OC	ZINC000587802254	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1OC	ZINC000587802255	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1OC	ZINC000587802256	HJ	Annotated	Anodyne	
COc1cccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587802319	HJ	Annotated	Anodyne	
COc1cccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587802320	HJ	Annotated	Anodyne	
COc1cccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587802321	HJ	Annotated	Anodyne	
COc1cccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587802322	HJ	Annotated	Anodyne	
C#CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC	ZINC000587802417	HJ	Annotated	Mild	
C#CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC	ZINC000587802418	HJ	Annotated	Mild	
C#CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC	ZINC000587802419	HJ	Annotated	Mild	
C#CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC	ZINC000587802420	HJ	Annotated	Mild	
CCOc1c(OC)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587802441	HJ	Annotated	Anodyne	
CCOc1c(OC)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587802442	HJ	Annotated	Anodyne	
CCOc1c(OC)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587802443	HJ	Annotated	Anodyne	
CCOc1c(OC)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587802444	HJ	Annotated	Anodyne	
COCc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC	ZINC000587802449	HJ	Annotated	Anodyne	
COCc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC	ZINC000587802450	HJ	Annotated	Anodyne	
COCc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC	ZINC000587802451	HJ	Annotated	Anodyne	
COCc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC	ZINC000587802452	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2[nH]c2cc(N)ccc32)N1	ZINC000587802563	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2[nH]c2cc(N)ccc32)N1	ZINC000587802564	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2[nH]c2cc(N)ccc32)N1	ZINC000587802565	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2[nH]c2cc(N)ccc32)N1	ZINC000587802566	HJ	Annotated	Anodyne	
C=CCOc1cccc(O)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587802647	HJ	Annotated	Mild	
C=CCOc1cccc(O)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587802648	HJ	Annotated	Mild	
C=CCOc1cccc(O)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587802649	HJ	Annotated	Mild	
C=CCOc1cccc(O)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587802650	HJ	Annotated	Mild	
C=CCOc1c(OC)cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587803028	HJ	Annotated	Mild	
C=CCOc1c(OC)cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587803029	HJ	Annotated	Mild	
C=CCOc1c(OC)cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587803030	HJ	Annotated	Mild	
C=CCOc1c(OC)cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587803031	HJ	Annotated	Mild	
COC(=O)CC[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587803386	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587803387	HJ	Annotated	Anodyne	
COC(=O)CC[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587803388	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587803389	HJ	Annotated	Anodyne	
COC(=O)CCC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587803413	HJ	Annotated	Anodyne	
COC(=O)CCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587803415	HJ	Annotated	Anodyne	
COC(=O)CCC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587803416	HJ	Annotated	Anodyne	
COC(=O)CCC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587803417	HJ	Annotated	Anodyne	
CCOc1cc(OC)ccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587803494	HJ	Annotated	Anodyne	
CCOc1cc(OC)ccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587803496	HJ	Annotated	Anodyne	
CCOc1cc(OC)ccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587803498	HJ	Annotated	Anodyne	
CCOc1cc(OC)ccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587803500	HJ	Annotated	Anodyne	
CCOc1c(OC)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587803591	HJ	Annotated	Anodyne	
CCOc1c(OC)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587803592	HJ	Annotated	Anodyne	
CCOc1c(OC)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587803593	HJ	Annotated	Anodyne	
CCOc1c(OC)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587803594	HJ	Annotated	Anodyne	
COC(=O)c1ccc(CC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587803696	HJ	Annotated	Anodyne	
COC(=O)c1ccc(CC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587803697	HJ	Annotated	Anodyne	
COC(=O)c1ccc(CC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587803698	HJ	Annotated	Anodyne	
COC(=O)c1ccc(CC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587803699	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(COCc3ccccc3)C2)N1	ZINC000587803875	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(COCc3ccccc3)C2)N1	ZINC000587803877	HJ	Annotated	Anodyne	
COC(=O)c1ccc(CC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587803880	HJ	Annotated	Anodyne	
COC(=O)c1ccc(CC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587803882	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)cc1OC	ZINC000587803917	HJ	Annotated	Anodyne	
CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)cc1OC	ZINC000587803918	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)cc1OC	ZINC000587803920	HJ	Annotated	Anodyne	
CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)cc1OC	ZINC000587803922	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC)cc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804108	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC)cc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804109	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC)cc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804110	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC)cc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804111	HJ	Annotated	Anodyne	
C=CCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1O	ZINC000587804128	HJ	Annotated	Mild	
C=CCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1O	ZINC000587804129	HJ	Annotated	Mild	
C=CCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1O	ZINC000587804130	HJ	Annotated	Mild	
C=CCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1O	ZINC000587804131	HJ	Annotated	Mild	
COC(=O)c1ccc(CC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587804149	HJ	Annotated	Anodyne	
COC(=O)c1ccc(CC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587804151	HJ	Annotated	Anodyne	
COC(=O)CCC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804241	HJ	Annotated	Anodyne	
COC(=O)CCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804242	HJ	Annotated	Anodyne	
COC(=O)CCC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804244	HJ	Annotated	Anodyne	
COC(=O)CCC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804246	HJ	Annotated	Anodyne	
C=CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587804404	HJ	Annotated	Mild	
C=CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587804405	HJ	Annotated	Mild	
C=CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587804406	HJ	Annotated	Mild	
C=CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587804407	HJ	Annotated	Mild	
COCc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC	ZINC000587804428	HJ	Annotated	Anodyne	
COCc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC	ZINC000587804429	HJ	Annotated	Anodyne	
COCc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC	ZINC000587804430	HJ	Annotated	Anodyne	
COCc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC	ZINC000587804431	HJ	Annotated	Anodyne	
COc1ccc2[nH]cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1	ZINC000587804489	HJ	Annotated	Anodyne	
COc1ccc2[nH]cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1	ZINC000587804491	HJ	Annotated	Anodyne	
COc1ccc2[nH]cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1	ZINC000587804493	HJ	Annotated	Anodyne	
COc1ccc2[nH]cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1	ZINC000587804496	HJ	Annotated	Anodyne	
CCC(=O)Oc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587804648	HJ	Annotated	Anodyne	
CCC(=O)Oc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587804653	HJ	Annotated	Anodyne	
CCC(=O)Oc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587804658	HJ	Annotated	Anodyne	
CCC(=O)Oc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587804661	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804912	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804913	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804914	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804915	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC)cc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587804948	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC)cc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587804949	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC)cc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587804950	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC)cc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587804951	HJ	Annotated	Anodyne	
COc1ccc(OC)c2c1CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587805007	HJ	Annotated	Anodyne	
COc1ccc(OC)c2c1CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587805008	HJ	Annotated	Anodyne	
COc1ccc(OC)c2c1CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587805009	HJ	Annotated	Anodyne	
COc1ccc(OC)c2c1CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587805010	HJ	Annotated	Anodyne	
COC(=O)CCCC[C@H](C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587805119	HJ	Annotated	Anodyne	
COC(=O)CCCC[C@H](C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587805120	HJ	Annotated	Anodyne	
COC(=O)CCCC[C@H](C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587805122	HJ	Annotated	Anodyne	
COC(=O)CCCC[C@H](C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587805123	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3cc(C(=O)O)ccc23)N1	ZINC000587805149	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3cc(C(=O)O)ccc23)N1	ZINC000587805157	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3cc(C(=O)O)ccc23)N1	ZINC000587805161	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3cc(C(=O)O)ccc23)N1	ZINC000587805167	HJ	Annotated	Anodyne	
COc1cc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587805278	HJ	Annotated	Anodyne	
COc1cc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587805280	HJ	Annotated	Anodyne	
COc1cc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587805282	HJ	Annotated	Anodyne	
COc1cc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587805283	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2[nH]c2ccc(N)cc32)N1	ZINC000587805307	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2[nH]c2ccc(N)cc32)N1	ZINC000587805312	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2[nH]c2ccc(N)cc32)N1	ZINC000587805316	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2[nH]c2ccc(N)cc32)N1	ZINC000587805321	HJ	Annotated	Anodyne	
COc1ccc(CC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1O	ZINC000587805335	HJ	Annotated	Anodyne	
COc1ccc(CC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1O	ZINC000587805336	HJ	Annotated	Anodyne	
COc1ccc(CC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1O	ZINC000587805337	HJ	Annotated	Anodyne	
COc1ccc(CC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1O	ZINC000587805339	HJ	Annotated	Anodyne	
COC(=O)C[C@]1([C@@H](C)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587805518	HJ	Annotated	Anodyne	
COC(=O)C[C@]1([C@@H](C)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587805520	HJ	Annotated	Anodyne	
COC(=O)C[C@]1([C@H](C)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587805522	HJ	Annotated	Anodyne	
COC(=O)C[C@]1([C@H](C)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587805524	HJ	Annotated	Anodyne	
COc1cc(C)c(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587805531	HJ	Annotated	Anodyne	
COc1cc(C)c(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587805536	HJ	Annotated	Anodyne	
COc1cc(C)c(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587805538	HJ	Annotated	Anodyne	
COc1cc(C)c(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587805540	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587805597	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587805599	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587805600	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587805602	HJ	Annotated	Anodyne	
COC(=O)CC[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587805630	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587805631	HJ	Annotated	Anodyne	
COC(=O)CC[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587805632	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587805633	HJ	Annotated	Anodyne	
COc1cc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587805661	HJ	Annotated	Anodyne	
COc1cc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587805662	HJ	Annotated	Anodyne	
COc1cc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587805663	HJ	Annotated	Anodyne	
COc1cc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587805664	HJ	Annotated	Anodyne	
COc1ccc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1OC	ZINC000587805673	HJ	Annotated	Anodyne	
COc1ccc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1OC	ZINC000587805674	HJ	Annotated	Anodyne	
COc1ccc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1OC	ZINC000587805675	HJ	Annotated	Anodyne	
COc1ccc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1OC	ZINC000587805676	HJ	Annotated	Anodyne	
COc1ccc2c(c1OC)CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587805822	HJ	Annotated	Anodyne	
COc1ccc2c(c1OC)CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587805826	HJ	Annotated	Anodyne	
COc1ccc2c(c1OC)CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587805829	HJ	Annotated	Anodyne	
COc1ccc2c(c1OC)CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587805831	HJ	Annotated	Anodyne	
COc1ccc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587805886	HJ	Annotated	Anodyne	
COc1ccc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587805902	HJ	Annotated	Anodyne	
COc1ccc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587805905	HJ	Annotated	Anodyne	
COc1ccc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587805907	HJ	Annotated	Anodyne	
COc1ccc(CC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1O	ZINC000587805929	HJ	Annotated	Anodyne	
COc1ccc(CC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1O	ZINC000587805931	HJ	Annotated	Anodyne	
COc1ccc(CC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1O	ZINC000587805933	HJ	Annotated	Anodyne	
COc1ccc(CC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1O	ZINC000587805935	HJ	Annotated	Anodyne	
COc1cc(CC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O	ZINC000587806159	HJ	Annotated	Anodyne	
COc1cc(CC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O	ZINC000587806160	HJ	Annotated	Anodyne	
COc1cc(CC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O	ZINC000587806161	HJ	Annotated	Anodyne	
COc1cc(CC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O	ZINC000587806163	HJ	Annotated	Anodyne	
COc1cc(/C=C/[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1O	ZINC000587806192	HJ	Annotated	Anodyne	
COc1cc(/C=C/[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1O	ZINC000587806195	HJ	Annotated	Anodyne	
COc1cc(/C=C/[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1O	ZINC000587806196	HJ	Annotated	Anodyne	
COc1cc(/C=C/[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1O	ZINC000587806197	HJ	Annotated	Anodyne	
COc1ccc2c(c1OC)CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587806344	HJ	Annotated	Anodyne	
COc1ccc2c(c1OC)CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587806345	HJ	Annotated	Anodyne	
COc1ccc2c(c1OC)CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587806346	HJ	Annotated	Anodyne	
COc1ccc2c(c1OC)CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587806347	HJ	Annotated	Anodyne	
C=CCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC	ZINC000587806492	HJ	Annotated	Mild	
C=CCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC	ZINC000587806495	HJ	Annotated	Mild	
C=CCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC	ZINC000587806497	HJ	Annotated	Mild	
C=CCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC	ZINC000587806499	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(COCc3ccccc3)C2)N1	ZINC000587806511	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(COCc3ccccc3)C2)N1	ZINC000587806513	HJ	Annotated	Anodyne	
CC[C@@]1(Cc2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587806531	HJ	Annotated	Anodyne	
CC[C@]1(Cc2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587806533	HJ	Annotated	Anodyne	
CC[C@]1(Cc2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587806535	HJ	Annotated	Anodyne	
CC[C@@]1(Cc2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587806536	HJ	Annotated	Anodyne	
C=CCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1O	ZINC000587806631	HJ	Annotated	Mild	
C=CCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1O	ZINC000587806633	HJ	Annotated	Mild	
C=CCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1O	ZINC000587806634	HJ	Annotated	Mild	
C=CCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1O	ZINC000587806636	HJ	Annotated	Mild	
COc1cc2c(cc1OC)[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587806681	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587806683	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587806685	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587806687	HJ	Annotated	Anodyne	
COc1ccc(OC)c2c1CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587806729	HJ	Annotated	Anodyne	
COc1ccc(OC)c2c1CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587806731	HJ	Annotated	Anodyne	
COc1ccc(OC)c2c1CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587806732	HJ	Annotated	Anodyne	
COc1ccc(OC)c2c1CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587806733	HJ	Annotated	Anodyne	
CC(=O)Oc1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C	ZINC000587806895	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C#N)c2nc3ccccc3[nH]2)N1	ZINC000587806896	HJ	Annotated	Mild	
CC(=O)Oc1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C	ZINC000587806897	HJ	Annotated	Anodyne	
CC(=O)Oc1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C	ZINC000587806898	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](C#N)c2nc3ccccc3[nH]2)N1	ZINC000587806899	HJ	Annotated	Mild	
CC(=O)Oc1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C	ZINC000587806900	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](C#N)c2nc3ccccc3[nH]2)N1	ZINC000587806902	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C#N)c2nc3ccccc3[nH]2)N1	ZINC000587806903	HJ	Annotated	Mild	
CC[C@]1(c2ccc(C(=O)OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587806998	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(C(=O)OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587807001	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(C(=O)OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587807003	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(C(=O)OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587807005	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587807161	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587807165	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587807168	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587807171	HJ	Annotated	Anodyne	
COc1ccc2c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1	ZINC000587807471	HJ	Annotated	Anodyne	
COc1ccc2c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1	ZINC000587807474	HJ	Annotated	Anodyne	
COc1ccc2c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1	ZINC000587807476	HJ	Annotated	Anodyne	
COc1ccc2c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1	ZINC000587807478	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3cc(C(=O)O)ccc23)N1	ZINC000587807571	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3cc(C(=O)O)ccc23)N1	ZINC000587807580	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3cc(C(=O)O)ccc23)N1	ZINC000587807584	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3cc(C(=O)O)ccc23)N1	ZINC000587807589	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC(=O)OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587807736	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC(=O)OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587807740	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC(=O)OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587807742	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC(=O)OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587807745	HJ	Annotated	Anodyne	
COC(=O)C[C@]1([C@@H](C)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587807756	HJ	Annotated	Anodyne	
COC(=O)C[C@]1([C@@H](C)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587807758	HJ	Annotated	Anodyne	
COC(=O)C[C@]1([C@H](C)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587807760	HJ	Annotated	Anodyne	
COC(=O)C[C@]1([C@H](C)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587807762	HJ	Annotated	Anodyne	
COc1cc(/C=C/[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O	ZINC000587807806	HJ	Annotated	Anodyne	
COc1cc(/C=C/[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O	ZINC000587807807	HJ	Annotated	Anodyne	
COc1cc(/C=C/[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O	ZINC000587807808	HJ	Annotated	Anodyne	
COc1cc(/C=C/[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O	ZINC000587807809	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC(C)=O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587807922	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC(C)=O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587807923	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC(C)=O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587807924	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC(C)=O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587807925	HJ	Annotated	Anodyne	
CC[C@@]1(Cc2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587808115	HJ	Annotated	Anodyne	
CC[C@]1(Cc2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587808117	HJ	Annotated	Anodyne	
CC[C@]1(Cc2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587808119	HJ	Annotated	Anodyne	
CC[C@@]1(Cc2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587808121	HJ	Annotated	Anodyne	
COC(=O)CCCC[C@H](C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587808203	HJ	Annotated	Anodyne	
COC(=O)CCCC[C@H](C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587808205	HJ	Annotated	Anodyne	
COC(=O)CCCC[C@H](C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587808207	HJ	Annotated	Anodyne	
COC(=O)CCCC[C@H](C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587808208	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(C)CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587808230	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(C)CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587808232	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(C)CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587808234	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(C)CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587808236	HJ	Annotated	Anodyne	
COc1cccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587808312	HJ	Annotated	Anodyne	
COc1cccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587808313	HJ	Annotated	Anodyne	
COc1cccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587808314	HJ	Annotated	Anodyne	
COc1cccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587808315	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2[nH]c2cc(N)ccc32)N1	ZINC000587808376	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2[nH]c2cc(N)ccc32)N1	ZINC000587808377	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2[nH]c2cc(N)ccc32)N1	ZINC000587808378	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2[nH]c2cc(N)ccc32)N1	ZINC000587808379	HJ	Annotated	Anodyne	
COc1cccc(C(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587808397	HJ	Annotated	Anodyne	
COc1cc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC	ZINC000587808402	HJ	Annotated	Anodyne	
COc1cccc(C(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587808405	HJ	Annotated	Anodyne	
COc1cccc(C(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587808407	HJ	Annotated	Anodyne	
COc1cccc(C(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587808409	HJ	Annotated	Anodyne	
COc1cc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC	ZINC000587808433	HJ	Annotated	Anodyne	
COc1cc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC	ZINC000587808434	HJ	Annotated	Anodyne	
COc1cc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC	ZINC000587808436	HJ	Annotated	Anodyne	
CC(=O)Oc1cc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1	ZINC000587808464	HJ	Annotated	Anodyne	
CC(=O)Oc1cc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1	ZINC000587808465	HJ	Annotated	Anodyne	
CC(=O)Oc1cc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1	ZINC000587808467	HJ	Annotated	Anodyne	
CC(=O)Oc1cc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1	ZINC000587808469	HJ	Annotated	Anodyne	
CC(=O)Oc1ccc(CC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587808583	HJ	Annotated	Anodyne	
CC(=O)Oc1ccc(CC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587808587	HJ	Annotated	Anodyne	
CC(=O)Oc1ccc(CC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587808590	HJ	Annotated	Anodyne	
CC(=O)Oc1ccc(CC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587808594	HJ	Annotated	Anodyne	
COc1cc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC	ZINC000587808878	HJ	Annotated	Anodyne	
COc1cc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC	ZINC000587808879	HJ	Annotated	Anodyne	
COc1cc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC	ZINC000587808880	HJ	Annotated	Anodyne	
COc1cc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC	ZINC000587808881	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1OC	ZINC000587808894	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1OC	ZINC000587808895	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1OC	ZINC000587808896	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1OC	ZINC000587808897	HJ	Annotated	Anodyne	
COc1ccc(C(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587808936	HJ	Annotated	Anodyne	
COc1ccc(C(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587808937	HJ	Annotated	Anodyne	
COc1ccc(C(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587808938	HJ	Annotated	Anodyne	
COc1ccc(C(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587808939	HJ	Annotated	Anodyne	
COc1ccc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1OC	ZINC000587809285	HJ	Annotated	Anodyne	
COc1ccc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1OC	ZINC000587809286	HJ	Annotated	Anodyne	
COc1ccc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1OC	ZINC000587809287	HJ	Annotated	Anodyne	
COc1ccc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1OC	ZINC000587809288	HJ	Annotated	Anodyne	
C/C=C\C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587809350	HJ	Annotated	Anodyne	
C/C=C/C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587809352	HJ	Annotated	Anodyne	
C/C=C\C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587809355	HJ	Annotated	Anodyne	
C/C=C/C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587809357	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1OC	ZINC000587809508	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1OC	ZINC000587809513	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1OC	ZINC000587809516	HJ	Annotated	Anodyne	
COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1OC	ZINC000587809520	HJ	Annotated	Anodyne	
COc1ccc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587809541	HJ	Annotated	Anodyne	
COc1ccc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587809545	HJ	Annotated	Anodyne	
COc1ccc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587809549	HJ	Annotated	Anodyne	
COc1ccc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587809553	HJ	Annotated	Anodyne	
COc1ccc([C@H](C)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587809588	HJ	Annotated	Anodyne	
COc1ccc([C@H](C)[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587809605	HJ	Annotated	Anodyne	
COc1ccc([C@H](C)[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587809610	HJ	Annotated	Anodyne	
COc1ccc([C@H](C)[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	ZINC000587809613	HJ	Annotated	Anodyne	
COc1cc(/C=C/[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1O	ZINC000587809753	HJ	Annotated	Anodyne	
COc1cc(/C=C/[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1O	ZINC000587809755	HJ	Annotated	Anodyne	
COc1cc(/C=C/[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1O	ZINC000587809757	HJ	Annotated	Anodyne	
COc1cc(/C=C/[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1O	ZINC000587809760	HJ	Annotated	Anodyne	
COc1ccccc1C(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587809877	HJ	Annotated	Anodyne	
COc1ccccc1C(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587809879	HJ	Annotated	Anodyne	
COc1ccccc1C(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587809881	HJ	Annotated	Anodyne	
COc1ccccc1C(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587809883	HJ	Annotated	Anodyne	
COc1cccc(C[C@@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587809926	HJ	Annotated	Anodyne	
COc1cccc(C[C@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587809928	HJ	Annotated	Anodyne	
COc1cccc(C[C@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587809930	HJ	Annotated	Anodyne	
COc1cccc(C[C@@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587809934	HJ	Annotated	Anodyne	
COc1cc(C)c(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587809948	HJ	Annotated	Anodyne	
COc1cc(C)c(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587809950	HJ	Annotated	Anodyne	
COc1cc(C)c(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587809952	HJ	Annotated	Anodyne	
COc1cc(C)c(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587809954	HJ	Annotated	Anodyne	
C/C=C/C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587810044	HJ	Annotated	Anodyne	
C/C=C/C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587810048	HJ	Annotated	Anodyne	
C/C=C\C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587810051	HJ	Annotated	Anodyne	
C/C=C\C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587810056	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(C)CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587810090	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(C)CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587810094	HJ	Annotated	Anodyne	
COc1cc(CC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O	ZINC000587810096	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(C)CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587810097	HJ	Annotated	Anodyne	
COc1cc(CC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O	ZINC000587810100	HJ	Annotated	Anodyne	
COC(=O)CC[C@@]1(C)CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587810101	HJ	Annotated	Anodyne	
COc1cc(CC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O	ZINC000587810103	HJ	Annotated	Anodyne	
COc1cc(CC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O	ZINC000587810105	HJ	Annotated	Anodyne	
COc1ccccc1C(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587810368	HJ	Annotated	Anodyne	
COc1ccccc1C(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587810370	HJ	Annotated	Anodyne	
COc1ccccc1C(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587810371	HJ	Annotated	Anodyne	
COc1ccccc1C(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587810373	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(OCC3CC3)c2)N1	ZINC000587810519	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(OCC3CC3)c2)N1	ZINC000587810521	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(OCC3CC3)c2)N1	ZINC000587810525	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(OCC3CC3)c2)N1	ZINC000587810531	HJ	Annotated	Anodyne	
COc1cc(/C=C/[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O	ZINC000587810890	HJ	Annotated	Anodyne	
COc1cc(/C=C/[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O	ZINC000587810892	HJ	Annotated	Anodyne	
COc1cc(/C=C/[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O	ZINC000587810894	HJ	Annotated	Anodyne	
COc1cc(/C=C/[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O	ZINC000587810896	HJ	Annotated	Anodyne	
CCC(=O)Oc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587810941	HJ	Annotated	Anodyne	
CCC(=O)Oc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587810942	HJ	Annotated	Anodyne	
CCC(=O)Oc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587810944	HJ	Annotated	Anodyne	
CCC(=O)Oc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587810946	HJ	Annotated	Anodyne	
COc1cccc(C[C@@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587811140	HJ	Annotated	Anodyne	
COc1cccc(C[C@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587811141	HJ	Annotated	Anodyne	
COc1cccc(C[C@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587811143	HJ	Annotated	Anodyne	
COc1cccc(C[C@@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587811145	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(OCC3CC3)c2)N1	ZINC000587811318	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(OCC3CC3)c2)N1	ZINC000587811319	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(OCC3CC3)c2)N1	ZINC000587811320	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(OCC3CC3)c2)N1	ZINC000587811321	HJ	Annotated	Anodyne	
C=CCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC	ZINC000587811375	HJ	Annotated	Mild	
C=CCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC	ZINC000587811376	HJ	Annotated	Mild	
C=CCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC	ZINC000587811377	HJ	Annotated	Mild	
C=CCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC	ZINC000587811378	HJ	Annotated	Mild	
COc1ccc([C@H](C)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587811383	HJ	Annotated	Anodyne	
COc1ccc([C@H](C)[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587811384	HJ	Annotated	Anodyne	
COc1ccc([C@H](C)[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587811385	HJ	Annotated	Anodyne	
COc1ccc([C@H](C)[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	ZINC000587811386	HJ	Annotated	Anodyne	
CC(=O)[C@H](Cc1ccccc1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587812126	HJ	Annotated	Anodyne	
CC(=O)[C@H](Cc1ccccc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587812127	HJ	Annotated	Anodyne	
CC(=O)[C@H](Cc1ccccc1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587812128	HJ	Annotated	Anodyne	
CC(=O)[C@H](Cc1ccccc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587812129	HJ	Annotated	Anodyne	
CC(=O)[C@H](Cc1ccccc1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587812168	HJ	Annotated	Anodyne	
CC(=O)[C@H](Cc1ccccc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587812169	HJ	Annotated	Anodyne	
CC(=O)[C@H](Cc1ccccc1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587812170	HJ	Annotated	Anodyne	
CC(=O)[C@H](Cc1ccccc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587812171	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC(=O)OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587812346	HJ	Annotated	Anodyne	
COc1ccc(C(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587812350	HJ	Annotated	Anodyne	
COc1ccc(C(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587812351	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC(=O)OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587812352	HJ	Annotated	Anodyne	
COc1ccc(C(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587812353	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC(=O)OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587812354	HJ	Annotated	Anodyne	
COc1ccc(C(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587812356	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC(=O)OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587812357	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(C(=O)OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587812486	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(C(=O)OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587812488	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(C(=O)OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587812489	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(C(=O)OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587812490	HJ	Annotated	Anodyne	
CC(=O)Oc1cc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1	ZINC000587812690	HJ	Annotated	Anodyne	
CC(=O)Oc1cc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1	ZINC000587812691	HJ	Annotated	Anodyne	
CC(=O)Oc1cc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1	ZINC000587812692	HJ	Annotated	Anodyne	
CC(=O)Oc1cc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1	ZINC000587812693	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC(C)=O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587813332	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC(C)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587813333	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC(C)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587813334	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc(OC(C)=O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587813335	HJ	Annotated	Anodyne	
CC(=O)c1cc(C(C)=O)cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587813454	HJ	Annotated	Anodyne	
CC(=O)c1cc(C(C)=O)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587813455	HJ	Annotated	Anodyne	
CC(=O)c1cc(C(C)=O)cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587813456	HJ	Annotated	Anodyne	
CC(=O)c1cc(C(C)=O)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587813457	HJ	Annotated	Anodyne	
CCO[C@@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1Oc1ccccc1	ZINC000587813996	HJ	Annotated	Anodyne	
CCO[C@@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]1Oc1ccccc1	ZINC000587813998	HJ	Annotated	Anodyne	
CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1Oc1ccccc1	ZINC000587813999	HJ	Annotated	Anodyne	
CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H]1Oc1ccccc1	ZINC000587814000	HJ	Annotated	Anodyne	
CC(=O)Oc1ccc(CC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587814100	HJ	Annotated	Anodyne	
CC(=O)Oc1ccc(CC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587814102	HJ	Annotated	Anodyne	
CC(=O)Oc1ccc(CC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587814104	HJ	Annotated	Anodyne	
CC(=O)Oc1ccc(CC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587814106	HJ	Annotated	Anodyne	
CC(=O)Oc1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C	ZINC000587814471	HJ	Annotated	Anodyne	
CC(=O)Oc1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C	ZINC000587814472	HJ	Annotated	Anodyne	
CC(=O)Oc1c(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C	ZINC000587814473	HJ	Annotated	Anodyne	
CC(=O)Oc1c(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C	ZINC000587814474	HJ	Annotated	Anodyne	
CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H]1Oc1ccccc1	ZINC000587814479	HJ	Annotated	Anodyne	
CCO[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]1Oc1ccccc1	ZINC000587814480	HJ	Annotated	Anodyne	
CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1Oc1ccccc1	ZINC000587814481	HJ	Annotated	Anodyne	
CCO[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1Oc1ccccc1	ZINC000587814482	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C2CC2)(c2ccccc2)N1	ZINC000587815871	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C2CC2)(c2ccccc2)N1	ZINC000587815872	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C2CC2)(c2ccccc2)N1	ZINC000587815873	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C2CC2)(c2ccccc2)N1	ZINC000587815874	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(C=O)c2)(C2CCC2)N1	ZINC000587816067	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(C=O)c2)(C2CCC2)N1	ZINC000587816068	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(C=O)c2)(C2CCC2)N1	ZINC000587816069	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(C=O)c2)(C2CCC2)N1	ZINC000587816070	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C2CC2)(c2ccccc2)N1	ZINC000587816483	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C2CC2)(c2ccccc2)N1	ZINC000587816484	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C2CC2)(c2ccccc2)N1	ZINC000587816485	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C2CC2)(c2ccccc2)N1	ZINC000587816486	HJ	Annotated	Anodyne	
CC(=O)c1cc(C(C)=O)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587816491	HJ	Annotated	Anodyne	
CC(=O)c1cc(C(C)=O)cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587816492	HJ	Annotated	Anodyne	
CC(=O)c1cc(C(C)=O)cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587816493	HJ	Annotated	Anodyne	
CC(=O)c1cc(C(C)=O)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587816494	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3ccccc3)C2)N1	ZINC000587816579	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3ccccc3)C2)N1	ZINC000587816580	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3ccccc3)C2)N1	ZINC000587816581	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3ccccc3)C2)N1	ZINC000587816582	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3ccccc3)C2)N1	ZINC000587816785	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](c3ccccc3)C2)N1	ZINC000587816786	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3ccccc3)C2)N1	ZINC000587816787	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](c3ccccc3)C2)N1	ZINC000587816788	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(C=O)c2)(C2CCC2)N1	ZINC000587818751	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(C=O)c2)(C2CCC2)N1	ZINC000587818752	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(C=O)c2)(C2CCC2)N1	ZINC000587818753	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(C=O)c2)(C2CCC2)N1	ZINC000587818754	HJ	Annotated	Anodyne	
CC(=O)c1cc(C)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587819603	HJ	Annotated	Clean	
CC(=O)c1cc(C)cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587819605	HJ	Annotated	Clean	
CC(=O)c1cc(C)cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587819607	HJ	Annotated	Clean	
CC(=O)c1cc(C)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587819609	HJ	Annotated	Clean	
C=CCc1c(O)ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587819972	HJ	Annotated	Mild	
C=CCc1c(O)ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587819975	HJ	Annotated	Mild	
C=CCc1c(O)ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587819977	HJ	Annotated	Mild	
C=CCc1c(O)ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587819978	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)cc(O)c2O)N1	ZINC000587820481	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)cc(O)c2O)N1	ZINC000587820484	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)cc(O)c2O)N1	ZINC000587820485	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)cc(O)c2O)N1	ZINC000587820487	HJ	Annotated	Clean	
CCc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587820574	HJ	Annotated	Anodyne	
CCc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587820575	HJ	Annotated	Anodyne	
CCc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587820576	HJ	Annotated	Anodyne	
CCc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587820577	HJ	Annotated	Anodyne	
CC(=O)c1cc(C)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587820818	HJ	Annotated	Clean	
CC(=O)c1cc(C)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587820819	HJ	Annotated	Clean	
CC(=O)c1cc(C)cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587820820	HJ	Annotated	Clean	
CC(=O)c1cc(C)cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587820821	HJ	Annotated	Clean	
CC(C)c1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O	ZINC000587821019	HJ	Annotated	Clean	
CC(C)c1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O	ZINC000587821021	HJ	Annotated	Clean	
CC(C)c1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O	ZINC000587821025	HJ	Annotated	Clean	
CC(C)c1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O	ZINC000587821027	HJ	Annotated	Clean	
CC(C)c1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1O	ZINC000587821030	HJ	Annotated	Clean	
CC(C)c1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1O	ZINC000587821032	HJ	Annotated	Clean	
CC(C)c1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1O	ZINC000587821034	HJ	Annotated	Clean	
CC(C)c1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1O	ZINC000587821037	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(O)(c3ccccc3)CC2)N1	ZINC000587821101	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(O)(c3ccccc3)CC2)N1	ZINC000587821103	HJ	Annotated	Anodyne	
CCCc1c(O)ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587822611	HJ	Annotated	Clean	
CCCc1c(O)ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587822612	HJ	Annotated	Clean	
CCCc1c(O)ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587822613	HJ	Annotated	Clean	
CCCc1c(O)ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587822614	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCc3ccccc3C2=O)N1	ZINC000587822668	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCc3ccccc3C2=O)N1	ZINC000587822669	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCc3ccccc3C2=O)N1	ZINC000587822670	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCc3ccccc3C2=O)N1	ZINC000587822671	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2CCCC2=O)N1	ZINC000587822700	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H]2CCCC2=O)N1	ZINC000587822701	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CCCC2=O)N1	ZINC000587822702	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2CCCC2=O)N1	ZINC000587822703	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2CCCC2=O)N1	ZINC000587822708	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H]2CCCC2=O)N1	ZINC000587822709	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2CCCC2=O)N1	ZINC000587822763	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2CCCC2=O)N1	ZINC000587822765	HJ	Annotated	Anodyne	
C=CCc1c(O)ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587823253	HJ	Annotated	Mild	
C=CCc1c(O)ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587823254	HJ	Annotated	Mild	
C=CCc1c(O)ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587823255	HJ	Annotated	Mild	
C=CCc1c(O)ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O	ZINC000587823256	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)cc(O)c2O)N1	ZINC000587823627	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)cc(O)c2O)N1	ZINC000587823628	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)cc(O)c2O)N1	ZINC000587823630	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)cc(O)c2O)N1	ZINC000587823631	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCc3ccccc3C2=O)N1	ZINC000587823775	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCc3ccccc3C2=O)N1	ZINC000587823777	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCc3ccccc3C2=O)N1	ZINC000587823778	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCc3ccccc3C2=O)N1	ZINC000587823780	HJ	Annotated	Anodyne	
CC(=O)[C@@H]1CCc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587824103	HJ	Annotated	Anodyne	
CC(=O)[C@@H]1CCc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587824104	HJ	Annotated	Anodyne	
CC(=O)[C@@H]1CCc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587824105	HJ	Annotated	Anodyne	
CC(=O)[C@@H]1CCc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587824106	HJ	Annotated	Anodyne	
CCCc1c(O)ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587824315	HJ	Annotated	Clean	
CCCc1c(O)ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587824316	HJ	Annotated	Clean	
CCCc1c(O)ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587824317	HJ	Annotated	Clean	
CCCc1c(O)ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O	ZINC000587824318	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(O)(c3ccccc3)CC2)N1	ZINC000587824363	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(O)(c3ccccc3)CC2)N1	ZINC000587824364	HJ	Annotated	Anodyne	
CC(=O)[C@@H]1CCc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587824422	HJ	Annotated	Anodyne	
CC(=O)[C@@H]1CCc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587824423	HJ	Annotated	Anodyne	
CC(=O)[C@@H]1CCc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587824424	HJ	Annotated	Anodyne	
CC(=O)[C@@H]1CCc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587824426	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(CO)(c3ccccc3)CC2)N1	ZINC000587824543	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(CO)(c3ccccc3)CC2)N1	ZINC000587824544	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@]3(C(=O)O)CC[C@@]2(C)C3(C)C)N1	ZINC000587824933	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@]3(C(=O)O)CC[C@@]2(C)C3(C)C)N1	ZINC000587824934	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@]3(C(=O)O)CC[C@@]2(C)C3(C)C)N1	ZINC000587824935	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@]3(C(=O)O)CC[C@@]2(C)C3(C)C)N1	ZINC000587824936	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)N1	ZINC000587825094	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)N1	ZINC000587825096	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)N1	ZINC000587825099	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)N1	ZINC000587825102	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@]3(C(=O)O)CC[C@@]2(C)C3(C)C)N1	ZINC000587825173	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@]3(C(=O)O)CC[C@@]2(C)C3(C)C)N1	ZINC000587825175	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@]3(C(=O)O)CC[C@@]2(C)C3(C)C)N1	ZINC000587825176	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@]3(C(=O)O)CC[C@@]2(C)C3(C)C)N1	ZINC000587825178	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)N1	ZINC000587825238	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)N1	ZINC000587825240	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1C(=O)c1ccccc12	ZINC000587825262	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1C(=O)c1ccccc12	ZINC000587825263	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)N1	ZINC000587825292	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)N1	ZINC000587825293	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccccc2)N1	ZINC000587825448	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccccc2)N1	ZINC000587825449	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccccc2)N1	ZINC000587825450	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccccc2)N1	ZINC000587825451	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(CO)(c3ccccc3)CC2)N1	ZINC000587826074	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(CO)(c3ccccc3)CC2)N1	ZINC000587826076	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1	ZINC000587826109	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1	ZINC000587826110	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1	ZINC000587826111	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1	ZINC000587826112	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3occ(C(=O)O)c32)N1	ZINC000587826175	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3occ(C(=O)O)c32)N1	ZINC000587826176	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3occ(C(=O)O)c32)N1	ZINC000587826177	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3occ(C(=O)O)c32)N1	ZINC000587826178	HJ	Annotated	Anodyne	
Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c2c1CCC2	ZINC000587826318	HJ	Annotated	Clean	
Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c2c1CCC2	ZINC000587826320	HJ	Annotated	Clean	
Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c2c1CCC2	ZINC000587826322	HJ	Annotated	Clean	
Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c2c1CCC2	ZINC000587826323	HJ	Annotated	Clean	
Cc1cccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587826496	HJ	Annotated	Anodyne	
Cc1cccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587826498	HJ	Annotated	Anodyne	
Cc1cccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587826500	HJ	Annotated	Anodyne	
Cc1cccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587826502	HJ	Annotated	Anodyne	
Cc1cccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587826847	HJ	Annotated	Anodyne	
Cc1cccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587826849	HJ	Annotated	Anodyne	
Cc1cccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587826850	HJ	Annotated	Anodyne	
Cc1cccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587826852	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccccc2)N1	ZINC000587826853	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccccc2)N1	ZINC000587826855	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccccc2)N1	ZINC000587826856	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccccc2)N1	ZINC000587826858	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1C(=O)c1ccccc12	ZINC000587826883	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1C(=O)c1ccccc12	ZINC000587826885	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C=O)o3)o2)N1	ZINC000587827144	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C=O)o3)o2)N1	ZINC000587827150	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C=O)o3)o2)N1	ZINC000587827152	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C=O)o3)o2)N1	ZINC000587827154	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCc3cc(C(=O)O)ccc32)N1	ZINC000587827438	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCc3cc(C(=O)O)ccc32)N1	ZINC000587827439	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCc3cc(C(=O)O)ccc32)N1	ZINC000587827440	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCc3cc(C(=O)O)ccc32)N1	ZINC000587827441	HJ	Annotated	Anodyne	
Cc1ccc(C)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587827601	HJ	Annotated	Anodyne	
Cc1ccc(C)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587827602	HJ	Annotated	Anodyne	
Cc1ccc(C)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587827603	HJ	Annotated	Anodyne	
Cc1ccc(C)c([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587827604	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1	ZINC000587828007	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1	ZINC000587828008	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1	ZINC000587828009	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1	ZINC000587828010	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3occ(C(=O)O)c32)N1	ZINC000587828099	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3occ(C(=O)O)c32)N1	ZINC000587828101	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3occ(C(=O)O)c32)N1	ZINC000587828102	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3occ(C(=O)O)c32)N1	ZINC000587828104	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587828271	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587828272	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587828273	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587828274	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3ccc(O)cc32)N1	ZINC000587828872	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3ccc(O)cc32)N1	ZINC000587828873	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3ccc(O)cc32)N1	ZINC000587828874	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3ccc(O)cc32)N1	ZINC000587828875	HJ	Annotated	Anodyne	
CCOc1cc2c(c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c1)O[C@H](C)C2	ZINC000587828884	HJ	Annotated	Anodyne	
CCOc1cc2c(c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c1)O[C@@H](C)C2	ZINC000587828885	HJ	Annotated	Anodyne	
CCOc1cc2c(c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c1)O[C@@H](C)C2	ZINC000587828886	HJ	Annotated	Anodyne	
CCOc1cc2c(c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c1)O[C@H](C)C2	ZINC000587828887	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2C[C@@]3(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1	ZINC000587828906	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2C[C@@]3(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1	ZINC000587828907	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2C[C@]3(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1	ZINC000587828908	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2C[C@]3(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1	ZINC000587828909	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCc3cc(C(=O)O)ccc32)N1	ZINC000587829039	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCc3cc(C(=O)O)ccc32)N1	ZINC000587829040	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCc3cc(C(=O)O)ccc32)N1	ZINC000587829041	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCc3cc(C(=O)O)ccc32)N1	ZINC000587829042	HJ	Annotated	Anodyne	
COc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)O[C@H](C)C2	ZINC000587829242	HJ	Annotated	Anodyne	
COc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)O[C@@H](C)C2	ZINC000587829243	HJ	Annotated	Anodyne	
COc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)O[C@@H](C)C2	ZINC000587829244	HJ	Annotated	Anodyne	
COc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)O[C@H](C)C2	ZINC000587829245	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cccc(C3OCCO3)c2)N1	ZINC000587829308	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cccc(C3OCCO3)c2)N1	ZINC000587829309	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cccc(C3OCCO3)c2)N1	ZINC000587829310	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cccc(C3OCCO3)c2)N1	ZINC000587829311	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C	ZINC000587829639	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C	ZINC000587829640	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C	ZINC000587829641	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C	ZINC000587829642	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3cc(O)ccc32)N1	ZINC000587829751	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3cc(O)ccc32)N1	ZINC000587829752	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3cc(O)ccc32)N1	ZINC000587829753	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3cc(O)ccc32)N1	ZINC000587829754	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3cc(O)ccc32)N1	ZINC000587829806	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3cc(O)ccc32)N1	ZINC000587829808	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3cc(O)ccc32)N1	ZINC000587829811	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3cc(O)ccc32)N1	ZINC000587829814	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2C[C@]3(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1	ZINC000587829843	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2C[C@@]3(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1	ZINC000587829848	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2C[C@@]3(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1	ZINC000587829854	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2C[C@]3(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1	ZINC000587829859	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OC[C@@H]2CCCO2)N1	ZINC000587829863	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OC[C@H]2CCCO2)N1	ZINC000587829867	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OC[C@H]2CCCO2)N1	ZINC000587829869	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OC[C@@H]2CCCO2)N1	ZINC000587829872	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3cccc(O)c32)N1	ZINC000587829892	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3cccc(O)c32)N1	ZINC000587829895	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3cccc(O)c32)N1	ZINC000587829897	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3cccc(O)c32)N1	ZINC000587829899	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)COC(C)(C)O3)N1	ZINC000587830049	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)COC(C)(C)O3)N1	ZINC000587830051	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)COC(C)(C)O3)N1	ZINC000587830283	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)COC(C)(C)O3)N1	ZINC000587830284	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3cccc(O)c32)N1	ZINC000587830289	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3cccc(O)c32)N1	ZINC000587830290	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3cccc(O)c32)N1	ZINC000587830291	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3cccc(O)c32)N1	ZINC000587830292	HJ	Annotated	Clean	
COc1cc2c(c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c1)O[C@@H](C)C2	ZINC000587830306	HJ	Annotated	Anodyne	
COc1cc2c(c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c1)O[C@H](C)C2	ZINC000587830308	HJ	Annotated	Anodyne	
COc1cc2c(c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c1)O[C@H](C)C2	ZINC000587830310	HJ	Annotated	Anodyne	
COc1cc2c(c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c1)O[C@@H](C)C2	ZINC000587830312	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C=O)o3)o2)N1	ZINC000587830414	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C=O)o3)o2)N1	ZINC000587830415	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C=O)o3)o2)N1	ZINC000587830416	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C=O)o3)o2)N1	ZINC000587830417	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C	ZINC000587830557	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C	ZINC000587830559	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C	ZINC000587830562	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C	ZINC000587830564	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CC(C)(C)O2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587830747	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CC(C)(C)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587830751	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CC(C)(C)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587830752	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CC(C)(C)O2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587830754	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC[C@@H]3CCCO3)c2)N1	ZINC000587831135	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC[C@@H]3CCCO3)c2)N1	ZINC000587831136	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC[C@H]3CCCO3)c2)N1	ZINC000587831137	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC[C@H]3CCCO3)c2)N1	ZINC000587831138	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587831188	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587831189	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587831190	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587831193	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CC(C)(C)O2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587831236	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CC(C)(C)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587831238	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CC(C)(C)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587831239	HJ	Annotated	Anodyne	
Cc1ccc(C)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587831240	HJ	Annotated	Anodyne	
Cc1ccc(C)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587831241	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CC(C)(C)O2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587831242	HJ	Annotated	Anodyne	
Cc1ccc(C)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587831243	HJ	Annotated	Anodyne	
Cc1ccc(C)c([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587831246	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2O)CCCC3)N1	ZINC000587831556	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2O)CCCC3)N1	ZINC000587831557	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2O)CCCC3)N1	ZINC000587831558	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2O)CCCC3)N1	ZINC000587831563	HJ	Annotated	Clean	
C=CCc1c(O)ccc2c1[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587831992	HJ	Annotated	Mild	
COc1ccc2c(c1)OCCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587831995	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587831997	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587831998	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587832001	HJ	Annotated	Anodyne	
C=CCc1c(O)ccc2c1[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587832004	HJ	Annotated	Mild	
C=CCc1c(O)ccc2c1[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587832008	HJ	Annotated	Mild	
C=CCc1c(O)ccc2c1[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587832010	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc(C(C)(C)C)cc2)N1	ZINC000587832087	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc(C(C)(C)C)cc2)N1	ZINC000587832090	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc(C(C)(C)C)cc2)N1	ZINC000587832093	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc(C(C)(C)C)cc2)N1	ZINC000587832096	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587832098	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587832101	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587832103	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587832104	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1CC21CCOCC1	ZINC000587832242	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1CC21CCOCC1	ZINC000587832243	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1CC21CCOCC1	ZINC000587832247	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1CC21CCOCC1	ZINC000587832250	HJ	Annotated	Anodyne	
CC(C)[C@@]1(c2ccc3c(c2)CCO3)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587832359	HJ	Annotated	Anodyne	
CC(C)[C@]1(c2ccc3c(c2)CCO3)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587832361	HJ	Annotated	Anodyne	
CC(C)[C@]1(c2ccc3c(c2)CCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587832364	HJ	Annotated	Anodyne	
CC(C)[C@@]1(c2ccc3c(c2)CCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587832366	HJ	Annotated	Anodyne	
CCc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587832521	HJ	Annotated	Anodyne	
CCc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587832524	HJ	Annotated	Anodyne	
CCc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587832528	HJ	Annotated	Anodyne	
CCc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587832531	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(C(C)(C)C)cc2)N1	ZINC000587832534	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(C(C)(C)C)cc2)N1	ZINC000587832536	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(C(C)(C)C)cc2)N1	ZINC000587832538	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(C(C)(C)C)cc2)N1	ZINC000587832540	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587832596	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587832597	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587832598	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587832599	HJ	Annotated	Anodyne	
Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c2c1CCC2	ZINC000587832650	HJ	Annotated	Clean	
Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c2c1CCC2	ZINC000587832651	HJ	Annotated	Clean	
Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c2c1CCC2	ZINC000587832652	HJ	Annotated	Clean	
Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c2c1CCC2	ZINC000587832653	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cccc(C3OCCO3)c2)N1	ZINC000587832722	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2cccc(C3OCCO3)c2)N1	ZINC000587832724	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2cccc(C3OCCO3)c2)N1	ZINC000587832725	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cccc(C3OCCO3)c2)N1	ZINC000587832727	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C=C([C@]1(C)N[C@H](C)Cc3cc(Br)c(F)cc31)CO2	ZINC000587832764	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C=C([C@@]1(C)N[C@@H](C)Cc3cc(Br)c(F)cc31)CO2	ZINC000587832765	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C=C([C@]1(C)N[C@@H](C)Cc3cc(Br)c(F)cc31)CO2	ZINC000587832767	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C=C([C@@]1(C)N[C@H](C)Cc3cc(Br)c(F)cc31)CO2	ZINC000587832768	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccc3c(c2)OCO3)N1	ZINC000587832833	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccc3c(c2)OCO3)N1	ZINC000587832834	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccc3c(c2)OCO3)N1	ZINC000587832835	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccc3c(c2)OCO3)N1	ZINC000587832836	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C=C([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)CO2	ZINC000587833069	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C=C([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)CO2	ZINC000587833070	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C=C([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)CO2	ZINC000587833071	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C=C([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)CO2	ZINC000587833072	HJ	Annotated	Anodyne	
COc1cc2c(c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c1)O[C@@H](C)C2	ZINC000587833235	HJ	Annotated	Anodyne	
COc1cc2c(c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c1)O[C@H](C)C2	ZINC000587833237	HJ	Annotated	Anodyne	
COc1cc2c(c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c1)O[C@@H](C)C2	ZINC000587833240	HJ	Annotated	Anodyne	
COc1cc2c(c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c1)O[C@H](C)C2	ZINC000587833242	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3ccc(O)cc32)N1	ZINC000587833289	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3ccc(O)cc32)N1	ZINC000587833290	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3ccc(O)cc32)N1	ZINC000587833291	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3ccc(O)cc32)N1	ZINC000587833292	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587833343	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587833345	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587833347	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587833349	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C)Cc2ccc3c(c2)OCO3)N1	ZINC000587833356	HJ	Annotated	Anodyne	
CCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)O[C@H](C)C2	ZINC000587833358	HJ	Annotated	Anodyne	
CCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)O[C@H](C)C2	ZINC000587833359	HJ	Annotated	Anodyne	
CCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)O[C@@H](C)C2	ZINC000587833361	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C)Cc2ccc3c(c2)OCO3)N1	ZINC000587833363	HJ	Annotated	Anodyne	
CCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)O[C@@H](C)C2	ZINC000587833364	HJ	Annotated	Anodyne	
C[C@@H](Cc1ccc2c(c1)OCO2)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587833365	HJ	Annotated	Anodyne	
C[C@@H](Cc1ccc2c(c1)OCO2)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587833368	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OC[C@@H]2CCCO2)N1	ZINC000587833437	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OC[C@H]2CCCO2)N1	ZINC000587833438	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OC[C@H]2CCCO2)N1	ZINC000587833440	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OC[C@@H]2CCCO2)N1	ZINC000587833441	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc3c(c2)OCCO3)N1	ZINC000587833607	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc3c(c2)OCCO3)N1	ZINC000587833609	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc3c(c2)OCCO3)N1	ZINC000587833611	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc3c(c2)OCCO3)N1	ZINC000587833612	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OC2CCOCC2)N1	ZINC000587833619	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OC2CCOCC2)N1	ZINC000587833621	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OC2CCOCC2)N1	ZINC000587833622	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OC2CCOCC2)N1	ZINC000587833624	HJ	Annotated	Anodyne	
CCOc1ccc2c(c1)[C@@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587833639	HJ	Annotated	Anodyne	
CCOc1ccc2c(c1)[C@@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587833641	HJ	Annotated	Anodyne	
CCOc1ccc2c(c1)[C@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587833642	HJ	Annotated	Anodyne	
CCOc1ccc2c(c1)[C@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587833644	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc3c(c2)OCO3)N1	ZINC000587833667	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc3c(c2)OCO3)N1	ZINC000587833668	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc3c(c2)OCO3)N1	ZINC000587833670	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc3c(c2)OCO3)N1	ZINC000587833672	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C=C([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)CO2	ZINC000587833713	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C=C([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)CO2	ZINC000587833714	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C=C([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)CO2	ZINC000587833716	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C=C([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)CO2	ZINC000587833718	HJ	Annotated	Anodyne	
CCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)O[C@H](C)C2	ZINC000587833800	HJ	Annotated	Anodyne	
CCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)O[C@@H](C)C2	ZINC000587833801	HJ	Annotated	Anodyne	
CCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)O[C@@H](C)C2	ZINC000587833802	HJ	Annotated	Anodyne	
CCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)O[C@H](C)C2	ZINC000587833803	HJ	Annotated	Anodyne	
CCC[C@@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587833818	HJ	Annotated	Anodyne	
CCC[C@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587833820	HJ	Annotated	Anodyne	
CCC[C@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587833822	HJ	Annotated	Anodyne	
CCC[C@@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587833825	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OC2CCOCC2)N1	ZINC000587833907	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OC2CCOCC2)N1	ZINC000587833908	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OC2CCOCC2)N1	ZINC000587833909	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OC2CCOCC2)N1	ZINC000587833910	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCC2OCCO2)(C2CC2)N1	ZINC000587834179	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCC2OCCO2)(C2CC2)N1	ZINC000587834180	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCC2OCCO2)(C2CC2)N1	ZINC000587834181	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCC2OCCO2)(C2CC2)N1	ZINC000587834182	HJ	Annotated	Anodyne	
COc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)O[C@H](C)C2	ZINC000587834191	HJ	Annotated	Anodyne	
COc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)O[C@H](C)C2	ZINC000587834192	HJ	Annotated	Anodyne	
COc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)O[C@@H](C)C2	ZINC000587834193	HJ	Annotated	Anodyne	
COc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)O[C@@H](C)C2	ZINC000587834194	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC[C@@H]3CCCO3)c2)N1	ZINC000587834357	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC[C@@H]3CCCO3)c2)N1	ZINC000587834358	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC[C@H]3CCCO3)c2)N1	ZINC000587834360	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC[C@H]3CCCO3)c2)N1	ZINC000587834362	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC[C@H]3CO3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587834447	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC[C@H]3CO3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587834448	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC[C@@H]3CO3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587834449	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC[C@@H]3CO3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587834450	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCC([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)=C2	ZINC000587834505	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCC([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)=C2	ZINC000587834506	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCC([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)=C2	ZINC000587834507	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCC([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)=C2	ZINC000587834508	HJ	Annotated	Anodyne	
CCOc1ccc2c(c1)[C@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587834579	HJ	Annotated	Anodyne	
CCOc1ccc2c(c1)[C@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587834581	HJ	Annotated	Anodyne	
CCOc1ccc2c(c1)[C@@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587834584	HJ	Annotated	Anodyne	
CCOc1ccc2c(c1)[C@@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587834586	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587834645	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587834647	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587834649	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587834650	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC[C@@H]3CCCO3)cc2)N1	ZINC000587834711	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC[C@@H]3CCCO3)cc2)N1	ZINC000587834712	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC[C@H]3CCCO3)cc2)N1	ZINC000587834713	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC[C@H]3CCCO3)cc2)N1	ZINC000587834714	HJ	Annotated	Anodyne	
COc1cccc2c1OCC([C@]1(C)N[C@H](C)Cc3cc(Br)c(F)cc31)=C2	ZINC000587834889	HJ	Annotated	Anodyne	
COc1cccc2c1OCC([C@@]1(C)N[C@@H](C)Cc3cc(Br)c(F)cc31)=C2	ZINC000587834892	HJ	Annotated	Anodyne	
COc1cccc2c1OCC([C@]1(C)N[C@@H](C)Cc3cc(Br)c(F)cc31)=C2	ZINC000587834894	HJ	Annotated	Anodyne	
COc1cccc2c1OCC([C@@]1(C)N[C@H](C)Cc3cc(Br)c(F)cc31)=C2	ZINC000587834897	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2O)CCCC3)N1	ZINC000587834957	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2O)CCCC3)N1	ZINC000587834959	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2O)CCCC3)N1	ZINC000587834961	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2O)CCCC3)N1	ZINC000587834964	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(Cc3ccc4c(c3)OCO4)C2)N1	ZINC000587835191	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(Cc3ccc4c(c3)OCO4)C2)N1	ZINC000587835192	HJ	Annotated	Anodyne	
CCCOc1ccc2c(c1)[C@@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587835246	HJ	Annotated	Anodyne	
CCCOc1ccc2c(c1)[C@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587835248	HJ	Annotated	Anodyne	
CCCOc1ccc2c(c1)[C@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587835250	HJ	Annotated	Anodyne	
CCCOc1ccc2c(c1)[C@@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587835252	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587835253	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587835254	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587835255	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587835257	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1CC21CCOCC1	ZINC000587835268	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1CC21CCOCC1	ZINC000587835270	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1CC21CCOCC1	ZINC000587835271	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1CC21CCOCC1	ZINC000587835272	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H]2CCOC2)(c2ccccc2)N1	ZINC000587835293	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@H]2CCOC2)(c2ccccc2)N1	ZINC000587835294	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@H]2CCOC2)(c2ccccc2)N1	ZINC000587835295	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H]2CCOC2)(c2ccccc2)N1	ZINC000587835296	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587835297	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587835298	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCC2OCCO2)(C2CC2)N1	ZINC000587835351	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCC2OCCO2)(C2CC2)N1	ZINC000587835352	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCC2OCCO2)(C2CC2)N1	ZINC000587835353	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCC2OCCO2)(C2CC2)N1	ZINC000587835354	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC[C@@H]3CCCO3)cc2)N1	ZINC000587835359	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC[C@@H]3CCCO3)cc2)N1	ZINC000587835360	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC[C@H]3CCCO3)cc2)N1	ZINC000587835361	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC[C@H]3CCCO3)cc2)N1	ZINC000587835362	HJ	Annotated	Anodyne	
CCOc1cc2c(c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c1)O[C@H](C)C2	ZINC000587835371	HJ	Annotated	Anodyne	
CCOc1cc2c(c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c1)O[C@@H](C)C2	ZINC000587835372	HJ	Annotated	Anodyne	
CCOc1cc2c(c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c1)O[C@@H](C)C2	ZINC000587835373	HJ	Annotated	Anodyne	
CCOc1cc2c(c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c1)O[C@H](C)C2	ZINC000587835374	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2O)CCCC3)N1	ZINC000587835413	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(cc2O)CCCC3)N1	ZINC000587835414	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2O)CCCC3)N1	ZINC000587835415	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(cc2O)CCCC3)N1	ZINC000587835416	HJ	Annotated	Clean	
C=CCc1c(O)ccc2c1[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587835453	HJ	Annotated	Mild	
C=CCc1c(O)ccc2c1[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587835454	HJ	Annotated	Mild	
C=CCc1c(O)ccc2c1[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587835455	HJ	Annotated	Mild	
C=CCc1c(O)ccc2c1[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587835456	HJ	Annotated	Mild	
COc1ccc2c(c1)[C@]1(CCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587835481	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587835484	HJ	Annotated	Anodyne	
COc1cccc2c1OCC([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)=C2	ZINC000587835571	HJ	Annotated	Anodyne	
COc1cccc2c1OCC([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)=C2	ZINC000587835572	HJ	Annotated	Anodyne	
COc1cccc2c1OCC([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)=C2	ZINC000587835573	HJ	Annotated	Anodyne	
COc1cccc2c1OCC([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)=C2	ZINC000587835574	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCC([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)=C2	ZINC000587835595	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCC([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)=C2	ZINC000587835596	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCC([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)=C2	ZINC000587835597	HJ	Annotated	Anodyne	
COc1ccc2c(c1)OCC([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)=C2	ZINC000587835598	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC[C@H]3CO3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587835641	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC[C@H]3CO3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587835642	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC[C@@H]3CO3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587835643	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc(OC[C@@H]3CO3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587835644	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc3c(c2)OCO3)N1	ZINC000587835843	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc3c(c2)OCO3)N1	ZINC000587835845	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc3c(c2)OCO3)N1	ZINC000587835846	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc3c(c2)OCO3)N1	ZINC000587835848	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C)Cc2ccc3c(c2)OCO3)N1	ZINC000587835893	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C)Cc2ccc3c(c2)OCO3)N1	ZINC000587835894	HJ	Annotated	Anodyne	
C[C@@H](Cc1ccc2c(c1)OCO2)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587835895	HJ	Annotated	Anodyne	
C[C@@H](Cc1ccc2c(c1)OCO2)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587835896	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2O)CCCC3)N1	ZINC000587835977	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2O)CCCC3)N1	ZINC000587835979	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2O)CCCC3)N1	ZINC000587835980	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2O)CCCC3)N1	ZINC000587835982	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc3c(c2)OCCO3)N1	ZINC000587836083	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc3c(c2)OCCO3)N1	ZINC000587836086	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc3c(c2)OCCO3)N1	ZINC000587836088	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc3c(c2)OCCO3)N1	ZINC000587836090	HJ	Annotated	Anodyne	
COc1cccc2c1OCC([C@]1(C)N[C@H](C)Cc3ccc(F)c(Br)c31)=C2	ZINC000587836161	HJ	Annotated	Anodyne	
COc1cccc2c1OCC([C@@]1(C)N[C@@H](C)Cc3ccc(F)c(Br)c31)=C2	ZINC000587836162	HJ	Annotated	Anodyne	
COc1cccc2c1OCC([C@]1(C)N[C@@H](C)Cc3ccc(F)c(Br)c31)=C2	ZINC000587836163	HJ	Annotated	Anodyne	
COc1cccc2c1OCC([C@@]1(C)N[C@H](C)Cc3ccc(F)c(Br)c31)=C2	ZINC000587836164	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2CCOCC2)N1	ZINC000587836165	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2CCOCC2)N1	ZINC000587836166	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2CCOCC2)N1	ZINC000587836167	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2CCOCC2)N1	ZINC000587836168	HJ	Annotated	Anodyne	
CC(C)[C@@]1(c2ccc3c(c2)CCO3)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587836177	HJ	Annotated	Anodyne	
CC(C)[C@]1(c2ccc3c(c2)CCO3)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587836178	HJ	Annotated	Anodyne	
CC(C)[C@]1(c2ccc3c(c2)CCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587836179	HJ	Annotated	Anodyne	
CC(C)[C@@]1(c2ccc3c(c2)CCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587836180	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)COC(C)(C)O3)N1	ZINC000587836297	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)COC(C)(C)O3)N1	ZINC000587836298	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)COC(C)(C)O3)N1	ZINC000587836299	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)COC(C)(C)O3)N1	ZINC000587836300	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587836377	HJ	Annotated	Anodyne	
CC[C@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587836378	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587836379	HJ	Annotated	Anodyne	
CC[C@@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587836380	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccc3c(c2)OCO3)N1	ZINC000587836538	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccc3c(c2)OCO3)N1	ZINC000587836539	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccc3c(c2)OCO3)N1	ZINC000587836540	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccc3c(c2)OCO3)N1	ZINC000587836542	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C=C([C@]1(C)N[C@H](C)Cc3ccc(F)c(Br)c31)CO2	ZINC000587836627	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C=C([C@@]1(C)N[C@@H](C)Cc3ccc(F)c(Br)c31)CO2	ZINC000587836628	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C=C([C@]1(C)N[C@@H](C)Cc3ccc(F)c(Br)c31)CO2	ZINC000587836629	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C=C([C@@]1(C)N[C@H](C)Cc3ccc(F)c(Br)c31)CO2	ZINC000587836630	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc3c(c2)OCCO3)N1	ZINC000587836639	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc3c(c2)OCCO3)N1	ZINC000587836640	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc3c(c2)OCCO3)N1	ZINC000587836641	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc3c(c2)OCCO3)N1	ZINC000587836642	HJ	Annotated	Anodyne	
CCCOc1ccc2c(c1)[C@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587836847	HJ	Annotated	Anodyne	
CCCOc1ccc2c(c1)[C@@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587836848	HJ	Annotated	Anodyne	
CCCOc1ccc2c(c1)[C@@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587836849	HJ	Annotated	Anodyne	
CCCOc1ccc2c(c1)[C@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587836850	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C)Oc2ccc3c(c2)OCO3)N1	ZINC000587837013	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C)Oc2ccc3c(c2)OCO3)N1	ZINC000587837014	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc2c(c1)OCO2)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587837015	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc2c(c1)OCO2)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587837016	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C2CCOCC2)N1	ZINC000587837113	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2CCOCC2)N1	ZINC000587837114	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C2CCOCC2)N1	ZINC000587837115	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2CCOCC2)N1	ZINC000587837116	HJ	Annotated	Anodyne	
CCC[C@@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587837117	HJ	Annotated	Anodyne	
CCC[C@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587837118	HJ	Annotated	Anodyne	
CCC[C@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587837119	HJ	Annotated	Anodyne	
CCC[C@@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587837120	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(Cc3ccc4c(c3)OCO4)C2)N1	ZINC000587837121	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(Cc3ccc4c(c3)OCO4)C2)N1	ZINC000587837122	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc3c(c2)OCCO3)N1	ZINC000587837146	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc3c(c2)OCCO3)N1	ZINC000587837147	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc3c(c2)OCCO3)N1	ZINC000587837149	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc3c(c2)OCCO3)N1	ZINC000587837150	HJ	Annotated	Anodyne	
COc1cccc2c1OCC([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)=C2	ZINC000587837165	HJ	Annotated	Anodyne	
COc1cccc2c1OCC([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)=C2	ZINC000587837166	HJ	Annotated	Anodyne	
COc1cccc2c1OCC([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)=C2	ZINC000587837168	HJ	Annotated	Anodyne	
COc1cccc2c1OCC([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)=C2	ZINC000587837170	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H]2CCOC2)(c2ccccc2)N1	ZINC000587837183	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@H]2CCOC2)(c2ccccc2)N1	ZINC000587837184	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@H]2CCOC2)(c2ccccc2)N1	ZINC000587837186	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H]2CCOC2)(c2ccccc2)N1	ZINC000587837187	HJ	Annotated	Anodyne	
Cc1cc(C)c2occ([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1	ZINC000587837351	HJ	Annotated	Anodyne	
Cc1cc(C)c2occ([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1	ZINC000587837352	HJ	Annotated	Anodyne	
Cc1cc(C)c2occ([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1	ZINC000587837353	HJ	Annotated	Anodyne	
Cc1cc(C)c2occ([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1	ZINC000587837354	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(=O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)coc2c1	ZINC000587837367	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(=O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)coc2c1	ZINC000587837368	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(=O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)coc2c1	ZINC000587837369	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(=O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)coc2c1	ZINC000587837370	HJ	Annotated	Anodyne	
Cc1cc(C)c2occ([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1	ZINC000587837549	HJ	Annotated	Anodyne	
Cc1cc(C)c2occ([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1	ZINC000587837550	HJ	Annotated	Anodyne	
Cc1cc(C)c2occ([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1	ZINC000587837551	HJ	Annotated	Anodyne	
Cc1cc(C)c2occ([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1	ZINC000587837552	HJ	Annotated	Anodyne	
Cc1cc(=O)oc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc12	ZINC000587837673	HJ	Annotated	Anodyne	
Cc1cc(=O)oc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc12	ZINC000587837674	HJ	Annotated	Anodyne	
Cc1cc(=O)oc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc12	ZINC000587837675	HJ	Annotated	Anodyne	
Cc1cc(=O)oc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc12	ZINC000587837676	HJ	Annotated	Anodyne	
CCc1ccc2occ([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1	ZINC000587837975	HJ	Annotated	Anodyne	
CCc1ccc2occ([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1	ZINC000587837976	HJ	Annotated	Anodyne	
CCc1ccc2occ([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1	ZINC000587837978	HJ	Annotated	Anodyne	
CCc1ccc2occ([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1	ZINC000587837980	HJ	Annotated	Anodyne	
Cc1ccc2occ([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1	ZINC000587837993	HJ	Annotated	Anodyne	
Cc1ccc2occ([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1	ZINC000587837994	HJ	Annotated	Anodyne	
Cc1ccc2occ([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1	ZINC000587837996	HJ	Annotated	Anodyne	
Cc1ccc2occ([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1	ZINC000587837998	HJ	Annotated	Anodyne	
Cc1ccc2occ([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1	ZINC000587839038	HJ	Annotated	Anodyne	
Cc1ccc2occ([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1	ZINC000587839039	HJ	Annotated	Anodyne	
Cc1ccc2occ([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1	ZINC000587839041	HJ	Annotated	Anodyne	
Cc1ccc2occ([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1	ZINC000587839042	HJ	Annotated	Anodyne	
Cc1cc2occ([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2cc1C	ZINC000587839131	HJ	Annotated	Anodyne	
Cc1cc2occ([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2cc1C	ZINC000587839132	HJ	Annotated	Anodyne	
Cc1cc2occ([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2cc1C	ZINC000587839133	HJ	Annotated	Anodyne	
Cc1cc2occ([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2cc1C	ZINC000587839134	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COC=C2OCc2ccccc2)N1	ZINC000587839155	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COC=C2OCc2ccccc2)N1	ZINC000587839157	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COC=C2OCc2ccccc2)N1	ZINC000587839158	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COC=C2OCc2ccccc2)N1	ZINC000587839159	HJ	Annotated	Anodyne	
CC(C)=C1Oc2cc(O)ccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587839254	HJ	Annotated	Anodyne	
CC(C)=C1Oc2cc(O)ccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587839257	HJ	Annotated	Anodyne	
CC(C)=C1Oc2cc(O)ccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587839259	HJ	Annotated	Anodyne	
CC(C)=C1Oc2cc(O)ccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587839261	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)OCC(C)(C)CO3)N1	ZINC000587839453	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)OCC(C)(C)CO3)N1	ZINC000587839454	HJ	Annotated	Anodyne	
CC[C@H](C)Sc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587839498	HJ	Annotated	Anodyne	
CC[C@H](C)Sc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587839499	HJ	Annotated	Anodyne	
CC[C@H](C)Sc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587839500	HJ	Annotated	Anodyne	
CC[C@H](C)Sc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587839501	HJ	Annotated	Anodyne	
CCc1ccc2occ([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1	ZINC000587839622	HJ	Annotated	Anodyne	
CCc1ccc2occ([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1	ZINC000587839624	HJ	Annotated	Anodyne	
CCc1ccc2occ([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1	ZINC000587839626	HJ	Annotated	Anodyne	
CCc1ccc2occ([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1	ZINC000587839629	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C)Oc2ccc3c(c2)OCO3)N1	ZINC000587839683	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C)Oc2ccc3c(c2)OCO3)N1	ZINC000587839685	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc2c(c1)OCO2)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587839686	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc2c(c1)OCO2)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587839688	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CC2)OCC(C)(C)CO3)N1	ZINC000587839727	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CC2)OCC(C)(C)CO3)N1	ZINC000587839729	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COC=C2OCc2ccccc2)N1	ZINC000587840282	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COC=C2OCc2ccccc2)N1	ZINC000587840283	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COC=C2OCc2ccccc2)N1	ZINC000587840284	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COC=C2OCc2ccccc2)N1	ZINC000587840285	HJ	Annotated	Anodyne	
Cc1cc2occ([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2cc1C	ZINC000587840494	HJ	Annotated	Anodyne	
Cc1cc2occ([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2cc1C	ZINC000587840495	HJ	Annotated	Anodyne	
Cc1cc2occ([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2cc1C	ZINC000587840496	HJ	Annotated	Anodyne	
Cc1cc2occ([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2cc1C	ZINC000587840497	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(=O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)coc2c1	ZINC000587840508	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(=O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)coc2c1	ZINC000587840509	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(=O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)coc2c1	ZINC000587840510	HJ	Annotated	Anodyne	
Cc1cc(C)c2c(=O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)coc2c1	ZINC000587840511	HJ	Annotated	Anodyne	
CC[C@H](C)Sc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587840842	HJ	Annotated	Anodyne	
CC[C@H](C)Sc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587840843	HJ	Annotated	Anodyne	
CC[C@H](C)Sc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587840844	HJ	Annotated	Anodyne	
CC[C@H](C)Sc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587840845	HJ	Annotated	Anodyne	
COc1ccc([C@]2(CSC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587841407	HJ	Annotated	Reactive	
COc1ccc([C@]2(CSC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587841408	HJ	Annotated	Reactive	
COc1ccc([C@@]2(CSC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587841410	HJ	Annotated	Reactive	
COc1ccc([C@@]2(CSC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587841412	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ncccn3)o2)N1	ZINC000587841431	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ncccn3)o2)N1	ZINC000587841432	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ncccn3)o2)N1	ZINC000587841433	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ncccn3)o2)N1	ZINC000587841434	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CSC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587841451	HJ	Annotated	Reactive	
Cc1ccc([C@]2(CSC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587841455	HJ	Annotated	Reactive	
Cc1ccc([C@@]2(CSC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587841457	HJ	Annotated	Reactive	
Cc1ccc([C@]2(CSC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1	ZINC000587841458	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC(=O)N(C)C)cc2)N1	ZINC000587841496	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC(=O)N(C)C)cc2)N1	ZINC000587841504	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC(=O)N(C)C)cc2)N1	ZINC000587841506	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC(=O)N(C)C)cc2)N1	ZINC000587841507	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C=O)SCc2ccccc2)N1	ZINC000587842721	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C=O)SCc2ccccc2)N1	ZINC000587842723	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C=O)SCc2ccccc2)N1	ZINC000587842724	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C=O)SCc2ccccc2)N1	ZINC000587842725	HJ	Annotated	Mild	
CC(C)CSc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587843438	HJ	Annotated	Anodyne	
CC(C)CSc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587843439	HJ	Annotated	Anodyne	
CC(C)CSc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587843440	HJ	Annotated	Anodyne	
CC(C)CSc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587843441	HJ	Annotated	Anodyne	
CC(C)=C1Oc2cc(O)ccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587843909	HJ	Annotated	Anodyne	
CC(C)=C1Oc2cc(O)ccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587843912	HJ	Annotated	Anodyne	
CC(C)=C1Oc2cc(O)ccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587843915	HJ	Annotated	Anodyne	
CC(C)=C1Oc2cc(O)ccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587843919	HJ	Annotated	Anodyne	
CC(=O)SC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587844189	HJ	Annotated	Anodyne	
CC(=O)SC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587844190	HJ	Annotated	Anodyne	
CC(=O)SC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587844191	HJ	Annotated	Anodyne	
CC(=O)SC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587844192	HJ	Annotated	Anodyne	
CC(=O)SC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587844193	HJ	Annotated	Anodyne	
CC(=O)SC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587844194	HJ	Annotated	Anodyne	
CC(=O)SC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587844195	HJ	Annotated	Anodyne	
CC(=O)SC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587844196	HJ	Annotated	Anodyne	
CC(C)CSc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587844650	HJ	Annotated	Anodyne	
CC(C)CSc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587844652	HJ	Annotated	Anodyne	
CC(C)CSc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587844654	HJ	Annotated	Anodyne	
CC(C)CSc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587844656	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ncccn3)o2)N1	ZINC000587845016	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ncccn3)o2)N1	ZINC000587845017	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ncccn3)o2)N1	ZINC000587845018	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ncccn3)o2)N1	ZINC000587845019	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(SC(=O)N(C)C)c2)N1	ZINC000587845090	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(SC(=O)N(C)C)c2)N1	ZINC000587845091	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(SC(=O)N(C)C)c2)N1	ZINC000587845092	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(SC(=O)N(C)C)c2)N1	ZINC000587845093	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)s1	ZINC000587845338	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)s1	ZINC000587845342	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1	ZINC000587845344	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1	ZINC000587845347	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C	ZINC000587845381	HJ	Annotated	Anodyne	
C/C(=C/[C@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C	ZINC000587845386	HJ	Annotated	Anodyne	
C/C(=C/[C@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C	ZINC000587845388	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C	ZINC000587845390	HJ	Annotated	Anodyne	
CCCCSc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587845855	HJ	Annotated	Anodyne	
CCCCSc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587845859	HJ	Annotated	Anodyne	
CCCCSc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587845860	HJ	Annotated	Anodyne	
CCCCSc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587845862	HJ	Annotated	Anodyne	
CC(=O)c1csc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587846042	HJ	Annotated	Reactive	
CC(=O)c1csc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587846043	HJ	Annotated	Reactive	
CC(=O)c1csc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587846044	HJ	Annotated	Reactive	
CC(=O)c1csc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587846045	HJ	Annotated	Reactive	
CC(=O)c1csc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587846123	HJ	Annotated	Reactive	
CC(=O)c1csc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587846125	HJ	Annotated	Reactive	
CC(=O)c1csc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587846126	HJ	Annotated	Reactive	
CC(=O)c1csc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587846127	HJ	Annotated	Reactive	
COc1ccc([C@]2(CSC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587846292	HJ	Annotated	Reactive	
COc1ccc([C@]2(CSC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587846293	HJ	Annotated	Reactive	
COc1ccc([C@@]2(CSC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587846294	HJ	Annotated	Reactive	
COc1ccc([C@@]2(CSC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587846295	HJ	Annotated	Reactive	
CSc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCCO2	ZINC000587846318	HJ	Annotated	Anodyne	
CSc1cc2c(cc1[C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)OCCO2	ZINC000587846319	HJ	Annotated	Anodyne	
CSc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)OCCO2	ZINC000587846320	HJ	Annotated	Anodyne	
CSc1cc2c(cc1[C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCCO2	ZINC000587846321	HJ	Annotated	Anodyne	
CC(=O)OCc1csc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587846499	HJ	Annotated	Anodyne	
CC(=O)OCc1csc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587846500	HJ	Annotated	Anodyne	
CC(=O)OCc1csc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587846501	HJ	Annotated	Anodyne	
CC(=O)OCc1csc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587846502	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2cccs2)N1	ZINC000587846537	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2cccs2)N1	ZINC000587846540	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2cccs2)N1	ZINC000587846542	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2cccs2)N1	ZINC000587846544	HJ	Annotated	Anodyne	
CSc1cc2c(cc1[C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCCO2	ZINC000587846720	HJ	Annotated	Anodyne	
CSc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCCO2	ZINC000587846722	HJ	Annotated	Anodyne	
CSc1cc2c(cc1[C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCCO2	ZINC000587846723	HJ	Annotated	Anodyne	
CSc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCCO2	ZINC000587846724	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSc2ccccc2C(=O)O)N1	ZINC000587846760	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSc2ccccc2C(=O)O)N1	ZINC000587846761	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CSc2ccccc2C(=O)O)N1	ZINC000587846762	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CSc2ccccc2C(=O)O)N1	ZINC000587846764	HJ	Annotated	Anodyne	
Cc1cc(C)nc(SC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587846790	HJ	Annotated	Anodyne	
Cc1cc(C)nc(SC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587846791	HJ	Annotated	Anodyne	
Cc1cc(C)nc(SC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587846792	HJ	Annotated	Anodyne	
Cc1cc(C)nc(SC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587846793	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2csc(C(=O)CCl)c2)N1	ZINC000587847158	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2csc(C(=O)CCl)c2)N1	ZINC000587847160	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2csc(C(=O)CCl)c2)N1	ZINC000587847162	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2csc(C(=O)CCl)c2)N1	ZINC000587847164	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C=O)SCc2ccccc2)N1	ZINC000587847202	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C=O)SCc2ccccc2)N1	ZINC000587847204	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C=O)SCc2ccccc2)N1	ZINC000587847206	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C=O)SCc2ccccc2)N1	ZINC000587847207	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(SC(=O)N(C)C)c2)N1	ZINC000587847258	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(SC(=O)N(C)C)c2)N1	ZINC000587847259	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(SC(=O)N(C)C)c2)N1	ZINC000587847260	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(SC(=O)N(C)C)c2)N1	ZINC000587847261	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CN3CCCC3)cs2)N1	ZINC000587847316	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CN3CCCC3)cs2)N1	ZINC000587847318	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CN3CCCC3)cs2)N1	ZINC000587847319	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CN3CCCC3)cs2)N1	ZINC000587847320	HJ	Annotated	Anodyne	
Cc1cc(C)nc(SC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587847574	HJ	Annotated	Anodyne	
Cc1cc(C)nc(SC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587847580	HJ	Annotated	Anodyne	
Cc1cc(C)nc(SC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587847582	HJ	Annotated	Anodyne	
Cc1cc(C)nc(SC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587847584	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC(=O)N(C)C)cc2)N1	ZINC000587847610	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC(=O)N(C)C)cc2)N1	ZINC000587847612	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC(=O)N(C)C)cc2)N1	ZINC000587847614	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC(=O)N(C)C)cc2)N1	ZINC000587847616	HJ	Annotated	Anodyne	
CC(=O)OCc1csc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587847894	HJ	Annotated	Anodyne	
CC(=O)OCc1csc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587847895	HJ	Annotated	Anodyne	
CC(=O)OCc1csc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587847896	HJ	Annotated	Anodyne	
CC(=O)OCc1csc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587847897	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cnn(C)c3)s2)N1	ZINC000587847910	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cnn(C)c3)s2)N1	ZINC000587847911	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cnn(C)c3)s2)N1	ZINC000587847912	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cnn(C)c3)s2)N1	ZINC000587847913	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cnn(C)c3)s2)N1	ZINC000587847922	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cnn(C)c3)s2)N1	ZINC000587847923	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cnn(C)c3)s2)N1	ZINC000587847924	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cnn(C)c3)s2)N1	ZINC000587847925	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(CN3CCCC3)cs2)N1	ZINC000587848355	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(CN3CCCC3)cs2)N1	ZINC000587848357	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(CN3CCCC3)cs2)N1	ZINC000587848359	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(CN3CCCC3)cs2)N1	ZINC000587848361	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CSC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587848506	HJ	Annotated	Reactive	
Cc1ccc([C@]2(CSC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587848507	HJ	Annotated	Reactive	
Cc1ccc([C@@]2(CSC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587848508	HJ	Annotated	Reactive	
Cc1ccc([C@]2(CSC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1	ZINC000587848509	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccs2)N1	ZINC000587848650	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccs2)N1	ZINC000587848651	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccs2)N1	ZINC000587848652	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccs2)N1	ZINC000587848653	HJ	Annotated	Reactive	
CCCCSc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587848756	HJ	Annotated	Anodyne	
CCCCSc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587848757	HJ	Annotated	Anodyne	
CCCCSc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587848758	HJ	Annotated	Anodyne	
CCCCSc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587848759	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)s1	ZINC000587848938	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)s1	ZINC000587848939	HJ	Annotated	Anodyne	
Cc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1	ZINC000587848940	HJ	Annotated	Anodyne	
Cc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1	ZINC000587848941	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CSc2ccccc2C(=O)O)N1	ZINC000587849117	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CSc2ccccc2C(=O)O)N1	ZINC000587849119	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSc2ccccc2C(=O)O)N1	ZINC000587849122	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSc2ccccc2C(=O)O)N1	ZINC000587849124	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)OCC	ZINC000587849231	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)OCC	ZINC000587849234	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)OCC	ZINC000587849237	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)OCC	ZINC000587849239	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2csc(C(=O)CCl)c2)N1	ZINC000587849278	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2csc(C(=O)CCl)c2)N1	ZINC000587849279	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2csc(C(=O)CCl)c2)N1	ZINC000587849280	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2csc(C(=O)CCl)c2)N1	ZINC000587849281	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2cccs2)N1	ZINC000587849383	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2cccs2)N1	ZINC000587849384	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2cccs2)N1	ZINC000587849385	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2cccs2)N1	ZINC000587849387	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2cccs2)N1	ZINC000587849548	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2cccs2)N1	ZINC000587849549	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2cccs2)N1	ZINC000587849550	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2cccs2)N1	ZINC000587849551	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccs2)N1	ZINC000587849822	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccs2)N1	ZINC000587849823	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccs2)N1	ZINC000587849824	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccs2)N1	ZINC000587849825	HJ	Annotated	Reactive	
C/C(=C\[C@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C	ZINC000587849901	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C	ZINC000587849903	HJ	Annotated	Anodyne	
C/C(=C/[C@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C	ZINC000587849905	HJ	Annotated	Anodyne	
C/C(=C/[C@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C	ZINC000587849907	HJ	Annotated	Anodyne	
Cc1csc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587850375	HJ	Annotated	Anodyne	
Cc1csc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587850391	HJ	Annotated	Anodyne	
Cc1csc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587850394	HJ	Annotated	Anodyne	
Cc1csc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587850396	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21)OCC	ZINC000587850612	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21)OCC	ZINC000587850613	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21)OCC	ZINC000587850614	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21)OCC	ZINC000587850615	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3cccs3)nn2C)N1	ZINC000587850682	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3cccs3)nn2C)N1	ZINC000587850685	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3cccs3)nn2C)N1	ZINC000587850687	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3cccs3)nn2C)N1	ZINC000587850689	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3cccs3)nn2C)N1	ZINC000587850708	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3cccs3)nn2C)N1	ZINC000587850712	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3cccs3)nn2C)N1	ZINC000587850714	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3cccs3)nn2C)N1	ZINC000587850716	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)OCC	ZINC000587850808	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)OCC	ZINC000587850809	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)OCC	ZINC000587850810	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)OCC	ZINC000587850811	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2ccsc2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C	ZINC000587851119	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2ccsc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C	ZINC000587851120	HJ	Annotated	Anodyne	
C/C(=C/[C@]1(c2ccsc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C	ZINC000587851121	HJ	Annotated	Anodyne	
C/C(=C/[C@]1(c2ccsc2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C	ZINC000587851122	HJ	Annotated	Anodyne	
Cc1csc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587851183	HJ	Annotated	Anodyne	
Cc1csc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587851184	HJ	Annotated	Anodyne	
Cc1csc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587851185	HJ	Annotated	Anodyne	
Cc1csc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587851186	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3cccs3)CC2)N1	ZINC000587851250	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3cccs3)CC2)N1	ZINC000587851251	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21)OCC	ZINC000587851343	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21)OCC	ZINC000587851344	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21)OCC	ZINC000587851345	HJ	Annotated	Anodyne	
CCOP(=O)(C[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21)OCC	ZINC000587851346	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(/C=C/c2ccsc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587851476	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(/C=C/c2ccsc2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587851487	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(/C=C/c2ccsc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587851489	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(/C=C/c2ccsc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587851490	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3cccs3)n(C)n2)N1	ZINC000587851750	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3cccs3)n(C)n2)N1	ZINC000587851751	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3cccs3)n(C)n2)N1	ZINC000587851752	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3cccs3)n(C)n2)N1	ZINC000587851753	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(c2cccs2)N1	ZINC000587851776	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(c2cccs2)N1	ZINC000587851777	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(c2cccs2)N1	ZINC000587851778	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(c2cccs2)N1	ZINC000587851779	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccccn3)n2)N1	ZINC000587852119	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccccn3)n2)N1	ZINC000587852129	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccccn3)n2)N1	ZINC000587852132	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(/C=C/c2ccsc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587852133	HJ	Annotated	Anodyne	
CCOC(=O)[C@]1(/C=C/c2ccsc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587852134	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(/C=C/c2ccsc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587852135	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccccn3)n2)N1	ZINC000587852136	HJ	Annotated	Anodyne	
CCOC(=O)[C@@]1(/C=C/c2ccsc2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587852137	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2nccs2)N1	ZINC000587852188	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2nccs2)N1	ZINC000587852189	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2nccs2)N1	ZINC000587852190	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2nccs2)N1	ZINC000587852191	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccccn3)s2)N1	ZINC000587852212	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccccn3)s2)N1	ZINC000587852213	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccccn3)s2)N1	ZINC000587852214	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccccn3)s2)N1	ZINC000587852215	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccsc2)N1	ZINC000587852378	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccsc2)N1	ZINC000587852379	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccsc2)N1	ZINC000587852380	HJ	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccsc2)N1	ZINC000587852381	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2cccs2)N1	ZINC000587852464	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2cccs2)N1	ZINC000587852465	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2cccs2)N1	ZINC000587852466	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2cccs2)N1	ZINC000587852467	HJ	Annotated	Anodyne	
Cc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)sc1Br	ZINC000587852504	HJ	Annotated	Anodyne	
Cc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)sc1Br	ZINC000587852505	HJ	Annotated	Anodyne	
Cc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)sc1Br	ZINC000587852506	HJ	Annotated	Anodyne	
Cc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)sc1Br	ZINC000587852507	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccncc3)s2)N1	ZINC000587852610	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccncc3)s2)N1	ZINC000587852611	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccncc3)s2)N1	ZINC000587852612	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccncc3)s2)N1	ZINC000587852613	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccccn3)n2)N1	ZINC000587852636	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccccn3)n2)N1	ZINC000587852637	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccccn3)n2)N1	ZINC000587852638	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccccn3)n2)N1	ZINC000587852639	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3cccs3)n(C)n2)N1	ZINC000587852672	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3cccs3)n(C)n2)N1	ZINC000587852673	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3cccs3)n(C)n2)N1	ZINC000587852674	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3cccs3)n(C)n2)N1	ZINC000587852675	HJ	Annotated	Anodyne	
Cc1nc(N2CCCCC2)sc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587852708	HJ	Annotated	Anodyne	
Cc1nc(N2CCCCC2)sc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587852709	HJ	Annotated	Anodyne	
Cc1nc(N2CCCCC2)sc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587852710	HJ	Annotated	Anodyne	
Cc1nc(N2CCCCC2)sc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587852711	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccncc3)s2)N1	ZINC000587852738	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccncc3)s2)N1	ZINC000587852739	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccncc3)s2)N1	ZINC000587852740	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccncc3)s2)N1	ZINC000587852741	HJ	Annotated	Anodyne	
Cc1nc(N2CCCCC2)sc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587852890	HJ	Annotated	Anodyne	
Cc1nc(N2CCCCC2)sc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587852891	HJ	Annotated	Anodyne	
Cc1nc(N2CCCCC2)sc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587852892	HJ	Annotated	Anodyne	
Cc1nc(N2CCCCC2)sc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587852893	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccsc2)N1	ZINC000587852944	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccsc2)N1	ZINC000587852945	HJ	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccsc2)N1	ZINC000587852946	HJ	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccsc2)N1	ZINC000587852947	HJ	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2nccs2)N1	ZINC000587853052	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2nccs2)N1	ZINC000587853055	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2nccs2)N1	ZINC000587853057	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2nccs2)N1	ZINC000587853059	HJ	Annotated	Anodyne	
Cc1cnc(SC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1	ZINC000587853145	HJ	Annotated	Clean	
Cc1cnc(SC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1	ZINC000587853154	HJ	Annotated	Clean	
Cc1cnc(SC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1	ZINC000587853155	HJ	Annotated	Clean	
Cc1cnc(SC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1	ZINC000587853156	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCCCC3)s2)N1	ZINC000587853314	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCCCC3)s2)N1	ZINC000587853315	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCCCC3)s2)N1	ZINC000587853316	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCCCC3)s2)N1	ZINC000587853317	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3cccnc3)s2)N1	ZINC000587853426	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3cccnc3)s2)N1	ZINC000587853427	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3cccnc3)s2)N1	ZINC000587853428	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3cccnc3)s2)N1	ZINC000587853429	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(Br)s2)N1	ZINC000587853458	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(Br)s2)N1	ZINC000587853459	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(Br)s2)N1	ZINC000587853460	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(Br)s2)N1	ZINC000587853461	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccccn3)s2)N1	ZINC000587853510	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccccn3)s2)N1	ZINC000587853511	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccccn3)s2)N1	ZINC000587853512	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccccn3)s2)N1	ZINC000587853513	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)nc3sccn23)N1	ZINC000587853536	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)nc3sccn23)N1	ZINC000587853541	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)nc3sccn23)N1	ZINC000587853542	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)nc3sccn23)N1	ZINC000587853543	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)nc3sccn23)N1	ZINC000587853548	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)nc3sccn23)N1	ZINC000587853549	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)nc3sccn23)N1	ZINC000587853550	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)nc3sccn23)N1	ZINC000587853551	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)nc3sccn23)N1	ZINC000587853573	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(N)sc3c2CCC3)(C2CC2)N1	ZINC000587853576	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)nc3sccn23)N1	ZINC000587853577	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)nc3sccn23)N1	ZINC000587853578	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)nc3sccn23)N1	ZINC000587853579	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c(N)sc3c2CCC3)(C2CC2)N1	ZINC000587853582	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c(N)sc3c2CCC3)(C2CC2)N1	ZINC000587853584	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(N)sc3c2CCC3)(C2CC2)N1	ZINC000587853585	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C3CC3)nc3sccn23)N1	ZINC000587853674	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C3CC3)nc3sccn23)N1	ZINC000587853675	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C3CC3)nc3sccn23)N1	ZINC000587853676	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C3CC3)nc3sccn23)N1	ZINC000587853677	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cn2cc(F)ccc2n1	ZINC000587853767	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)n(C(F)F)n1	ZINC000587853959	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(Cl)nc2[nH]cnc12	ZINC000587853977	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cc(Cl)c(C)n1	ZINC000587853985	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ncnc(Cl)c3s2)N1	ZINC000587854062	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ncnc(Cl)c3s2)N1	ZINC000587854063	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ncnc(Cl)c3s2)N1	ZINC000587854064	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ncnc(Cl)c3s2)N1	ZINC000587854065	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2ccsc2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C	ZINC000587854184	HJ	Annotated	Anodyne	
Cc1csc2nc(Cl)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n12	ZINC000587854188	HJ	Annotated	Anodyne	
C/C(=C\[C@]1(c2ccsc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C	ZINC000587854189	HJ	Annotated	Anodyne	
C/C(=C/[C@]1(c2ccsc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C	ZINC000587854190	HJ	Annotated	Anodyne	
C/C(=C/[C@]1(c2ccsc2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C	ZINC000587854191	HJ	Annotated	Anodyne	
Cc1csc2nc(Cl)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n12	ZINC000587854196	HJ	Annotated	Anodyne	
Cc1csc2nc(Cl)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n12	ZINC000587854197	HJ	Annotated	Anodyne	
Cc1csc2nc(Cl)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n12	ZINC000587854199	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3cccs3)nc2)N1	ZINC000587854367	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3cccs3)nc2)N1	ZINC000587854370	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3cccs3)nc2)N1	ZINC000587854372	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3cccs3)nc2)N1	ZINC000587854374	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc3cnc(Cl)nc23)N1	ZINC000587854506	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc3cnc(Cl)nc23)N1	ZINC000587854507	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc3cnc(Cl)nc23)N1	ZINC000587854508	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc3cnc(Cl)nc23)N1	ZINC000587854509	HJ	Annotated	Anodyne	
Cc1cnc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1	ZINC000587854981	HJ	Annotated	Anodyne	
Cc1cnc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1	ZINC000587854983	HJ	Annotated	Anodyne	
Cc1cnc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1	ZINC000587854985	HJ	Annotated	Anodyne	
Cc1cnc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1	ZINC000587854987	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(Br)s2)N1	ZINC000587854989	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(Br)s2)N1	ZINC000587854991	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(Br)s2)N1	ZINC000587854993	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(Br)s2)N1	ZINC000587854995	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3cccs3)CC2)N1	ZINC000587855014	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3cccs3)CC2)N1	ZINC000587855017	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)nn1C(F)F	ZINC000587855151	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccnn1C(F)F	ZINC000587855179	HJ	Annotated	Anodyne	
C=C1Nn2c(nc(C(C)C)c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)S1	ZINC000587855240	HJ	Annotated	Anodyne	
C=C1Nn2c(nc(C(C)C)c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)S1	ZINC000587855241	HJ	Annotated	Anodyne	
C=C1Nn2c(nc(C(C)C)c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)S1	ZINC000587855242	HJ	Annotated	Anodyne	
C=C1Nn2c(nc(C(C)C)c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)S1	ZINC000587855243	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(C)c(C)c1Cl	ZINC000587855311	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCCCC3)s2)N1	ZINC000587855357	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCCCC3)s2)N1	ZINC000587855358	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCCCC3)s2)N1	ZINC000587855359	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCCCC3)s2)N1	ZINC000587855360	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCS2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587855468	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCS2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587855469	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCS2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587855470	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCS2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587855474	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(N)sc3c2CCC3)(C2CC2)N1	ZINC000587855516	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c(N)sc3c2CCC3)(C2CC2)N1	ZINC000587855518	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c(N)sc3c2CCC3)(C2CC2)N1	ZINC000587855520	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(N)sc3c2CCC3)(C2CC2)N1	ZINC000587855522	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3nc(O)sc3c2)N1	ZINC000587855549	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3nc(O)sc3c2)N1	ZINC000587855550	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3nc(O)sc3c2)N1	ZINC000587855552	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3nc(O)sc3c2)N1	ZINC000587855554	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(Cl)nc(COC)n1	ZINC000587855671	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1cc(Cl)cn1	ZINC000587855720	HJ	Annotated	Anodyne	
Cc1cnc(SC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1	ZINC000587855765	HJ	Annotated	Clean	
Cc1cnc(SC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1	ZINC000587855766	HJ	Annotated	Clean	
Cc1cnc(SC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1	ZINC000587855767	HJ	Annotated	Clean	
Cc1cnc(SC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1	ZINC000587855768	HJ	Annotated	Clean	
Cc1cnc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1	ZINC000587856224	HJ	Annotated	Anodyne	
Cc1cnc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1	ZINC000587856226	HJ	Annotated	Anodyne	
Cc1cnc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1	ZINC000587856227	HJ	Annotated	Anodyne	
Cc1cnc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1	ZINC000587856228	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCSCC3)cc2)N1	ZINC000587856383	HJ	Annotated	Clean	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCSCC3)cc2)N1	ZINC000587856385	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCSCC3)cc2)N1	ZINC000587856386	HJ	Annotated	Clean	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCSCC3)cc2)N1	ZINC000587856387	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCSCC3)cc2)N1	ZINC000587856452	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCSCC3)cc2)N1	ZINC000587856458	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCSCC3)cc2)N1	ZINC000587856459	HJ	Annotated	Clean	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCSCC3)cc2)N1	ZINC000587856462	HJ	Annotated	Clean	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(C(F)F)n1	ZINC000587856470	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCS2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587856571	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCS2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587856573	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCS2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587856576	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCS2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587856578	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(c2cccs2)N1	ZINC000587856640	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(c2cccs2)N1	ZINC000587856641	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(c2cccs2)N1	ZINC000587856642	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(c2cccs2)N1	ZINC000587856643	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(F)c(F)c(N)c1F	ZINC000587856753	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(CC)cc1Cl	ZINC000587856772	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c(Cl)cnn1CC	ZINC000587856896	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3cccs3)nc2)N1	ZINC000587857023	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C3CC3)nc3sccn23)N1	ZINC000587857024	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3cccs3)nc2)N1	ZINC000587857027	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C3CC3)nc3sccn23)N1	ZINC000587857029	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3cccs3)nc2)N1	ZINC000587857031	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3cccs3)nc2)N1	ZINC000587857034	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C3CC3)nc3sccn23)N1	ZINC000587857035	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C3CC3)nc3sccn23)N1	ZINC000587857040	HJ	Annotated	Anodyne	
Cc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)sc1Br	ZINC000587857101	HJ	Annotated	Anodyne	
Cc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1Br	ZINC000587857103	HJ	Annotated	Anodyne	
Cc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1Br	ZINC000587857107	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc3cnc(Cl)nc23)N1	ZINC000587857109	HJ	Annotated	Anodyne	
Cc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)sc1Br	ZINC000587857110	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc3cnc(Cl)nc23)N1	ZINC000587857111	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc3cnc(Cl)nc23)N1	ZINC000587857114	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc3cnc(Cl)nc23)N1	ZINC000587857117	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3cccnc3)s2)N1	ZINC000587857308	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3cccnc3)s2)N1	ZINC000587857310	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3cccnc3)s2)N1	ZINC000587857311	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3cccnc3)s2)N1	ZINC000587857312	HJ	Annotated	Anodyne	
Cc1csc2nc(Cl)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n12	ZINC000587857484	HJ	Annotated	Anodyne	
Cc1csc2nc(Cl)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n12	ZINC000587857485	HJ	Annotated	Anodyne	
Cc1csc2nc(Cl)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n12	ZINC000587857486	HJ	Annotated	Anodyne	
Cc1csc2nc(Cl)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n12	ZINC000587857488	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3nc(Cl)sc3C2)N1	ZINC000587857644	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3nc(Cl)sc3C2)N1	ZINC000587857647	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3nc(Cl)sc3C2)N1	ZINC000587857648	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3nc(Cl)sc3C2)N1	ZINC000587857649	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cc3cccnc3s2)N1	ZINC000587857728	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cc3cccnc3s2)N1	ZINC000587857729	HJ	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cc3cccnc3s2)N1	ZINC000587857730	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cc3cccnc3s2)N1	ZINC000587857731	HJ	Annotated	Mild	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c(Cl)c(C)nn1C	ZINC000587857815	HJ	Annotated	Anodyne	
C=C1Nn2c(nc(C(C)C)c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)S1	ZINC000587857948	HJ	Annotated	Anodyne	
C=C1Nn2c(nc(C(C)C)c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)S1	ZINC000587857950	HJ	Annotated	Anodyne	
C=C1Nn2c(nc(C(C)C)c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)S1	ZINC000587857952	HJ	Annotated	Anodyne	
C=C1Nn2c(nc(C(C)C)c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)S1	ZINC000587857954	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)nc3sccn23)N1	ZINC000587857957	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)nc3sccn23)N1	ZINC000587857959	HJ	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)nc3sccn23)N1	ZINC000587857960	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)nc3sccn23)N1	ZINC000587857962	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3nc(O)sc3c2)N1	ZINC000587858026	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3nc(O)sc3c2)N1	ZINC000587858028	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3nc(O)sc3c2)N1	ZINC000587858030	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3nc(O)sc3c2)N1	ZINC000587858034	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(Br)cn1	ZINC000587858062	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1Cc2ccccc2O1	ZINC000587858079	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1Cc2ccccc2O1	ZINC000587858086	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc2c(c1)CCO2	ZINC000587858312	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(OC)cc(OC)c1	ZINC000587858317	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(OC)cc1	ZINC000587858386	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCc1ccc(O)c(O)c1	ZINC000587858398	HJ	Annotated	Clean	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ncnc(Cl)c3s2)N1	ZINC000587858444	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ncnc(Cl)c3s2)N1	ZINC000587858445	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ncnc(Cl)c3s2)N1	ZINC000587858446	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ncnc(Cl)c3s2)N1	ZINC000587858447	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(C)(OCC)OCC	ZINC000587858518	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1COc2ccccc2O1	ZINC000587858528	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1COc2ccccc2O1	ZINC000587858529	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(C(=O)O)cc1	ZINC000587858546	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnc2onc(C)c2c1	ZINC000587858609	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cccc(OC)c1	ZINC000587858698	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cccc(S(C)(=O)=O)c1	ZINC000587858704	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c(C)nc2ccccn12	ZINC000587858784	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc[nH]2)[nH]n1	ZINC000587858804	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C#N)cc1	ZINC000587858868	HJ	Annotated	Mild	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1cn2ccccc2n1	ZINC000587858875	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(OC)ccc1OC	ZINC000587858935	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc2c(c1)OCCO2	ZINC000587858979	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccncc2)no1	ZINC000587859047	HJ	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cc3cccnc3s2)N1	ZINC000587859056	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cc3cccnc3s2)N1	ZINC000587859057	HJ	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cc3cccnc3s2)N1	ZINC000587859058	HJ	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cc3cccnc3s2)N1	ZINC000587859059	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3nc(Cl)sc3C2)N1	ZINC000587859129	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3nc(Cl)sc3C2)N1	ZINC000587859130	HJ	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3nc(Cl)sc3C2)N1	ZINC000587859131	HJ	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3nc(Cl)sc3C2)N1	ZINC000587859133	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc([N+](=O)[O-])c1O	ZINC000587859142	HJ	Annotated	Bother	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc2c(c1)OCO2	ZINC000587859194	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccccc1C#N	ZINC000587859203	HJ	Annotated	Mild	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(CN(C)C)o1	ZINC000587859276	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(OC)cc1OC	ZINC000587859278	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NCc1cccnc1	ZINC000587859328	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc2n[nH]cc2c1	ZINC000587859367	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc2nccnc2c1	ZINC000587859368	HJ	Annotated	Anodyne	
CCOc1oc(C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)nc1C	ZINC000587859562	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(O)c2ccccc2n1	ZINC000587859653	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc2nccn2c1	ZINC000587859656	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccccc1S(C)(=O)=O	ZINC000587859811	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(Cn2cncn2)cc1	ZINC000587859814	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2cc[nH]c2)[nH]n1	ZINC000587859854	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cn2c(C)cccc2n1	ZINC000587859856	HJ	Annotated	Anodyne	
CCOC(=O)c1cnc(-n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)nc1C	ZINC000587859993	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(-n2cnnc2)cc1	ZINC000587860154	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc2c(c1)ncn2C	ZINC000587860157	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cn2ccc(C)cc2n1	ZINC000587860178	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnc2n[nH]c(C)c2c1	ZINC000587860286	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCc1c(C)n[nH]c1C	ZINC000587860316	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NCCc1ccccn1	ZINC000587860344	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2cccnc2)no1	ZINC000587860362	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NC(=O)C(C)(C)C	ZINC000587860437	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccco2)[nH]n1	ZINC000587860443	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(N(CC)CC)n1	ZINC000587860549	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1nc(C)cc1C	ZINC000587860595	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1nc(C)c(C)c1C	ZINC000587860617	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(C(F)(F)F)nc1	ZINC000587860642	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(F)cc1F	ZINC000587860694	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NCc1ccc(F)cc1	ZINC000587860695	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(F)cc1	ZINC000587860854	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(F)cc1	ZINC000587860855	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cn2cc(Cl)ccc2n1	ZINC000587860859	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(OC(F)F)cc1	ZINC000587860871	HJ	Annotated	Anodyne	
COc1cc(Cl)ccc1C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC	ZINC000587861045	HJ	Annotated	Anodyne	
CCCn1cc(Cl)c(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)n1	ZINC000587861126	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(Br)co1	ZINC000587861152	HJ	Annotated	Anodyne	
CC[C@@H](C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC)n1cc(Cl)cn1	ZINC000587861218	HJ	Annotated	Anodyne	
CC[C@H](C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC)n1cc(Cl)cn1	ZINC000587861220	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccccc1F	ZINC000587861229	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccccc1F	ZINC000587861230	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2cc(F)ccc2[nH]1	ZINC000587861241	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNc1ccc(F)cc1F	ZINC000587861264	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1cc(Cl)c(C)n1	ZINC000587861299	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1cc(Cl)c(C)n1	ZINC000587861300	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1cc(F)ccc1F	ZINC000587861350	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1cn2ccsc2n1	ZINC000587861490	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CCO[C@@H]1c1ccccc1	ZINC000587861662	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1ccc(OC)nc1	ZINC000587861694	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(F)(F)Oc1ccccc1	ZINC000587861711	HJ	Annotated	Anodyne	
COc1ccc(O[C@H](C)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1	ZINC000587861721	HJ	Annotated	Anodyne	
COc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1	ZINC000587861724	HJ	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c(C)nc2sccn12	ZINC000587861822	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Br)o1	ZINC000587861843	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2cc(N)ccc2o1	ZINC000587861856	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(OC(F)F)c1	ZINC000587861904	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccco2)on1	ZINC000587861911	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNc1ccccc1Cl	ZINC000587861924	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccccc1Cl	ZINC000587862023	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1cncc(Br)c1	ZINC000587862049	HJ	Annotated	Anodyne	
CCOc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1OC	ZINC000587862161	HJ	Annotated	Anodyne	
CCN(CC)Cc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)o1	ZINC000587862174	HJ	Annotated	Anodyne	
CCOc1ccc(NCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1	ZINC000587862189	HJ	Annotated	Anodyne	
C=CCOc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1	ZINC000587862206	HJ	Annotated	Mild	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1cccc(C)c1	ZINC000587862208	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1cccc(C)c1	ZINC000587862209	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1cc(C)ccc1C	ZINC000587862214	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNc1ccc(C)cc1C	ZINC000587862222	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCC(=O)Nc1ccccc1	ZINC000587862241	HJ	Annotated	Anodyne	
CCc1ccc(OCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1	ZINC000587862250	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccccc2)on1	ZINC000587862251	HJ	Annotated	Anodyne	
COc1cc(C)ccc1OCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC	ZINC000587862345	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(C)cc1C	ZINC000587862361	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1cc(C)cc(C)c1	ZINC000587862395	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1cccc(C)c1C	ZINC000587862426	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(C#N)cc1	ZINC000587862508	HJ	Annotated	Mild	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC000587862513	HJ	Annotated	Mild	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc2c(c1)CCC2	ZINC000587862542	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccc(-c2ccc(C)o2)n1	ZINC000587862586	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(O)cc(-c2ccccc2)n1	ZINC000587862598	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1c(C)nc2ccccc21	ZINC000587862600	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(-c2cnco2)cc1	ZINC000587862623	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	ZINC000587862675	HJ	Annotated	Anodyne	
CCC(=O)Nc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1	ZINC000587862693	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(C)c(C)c1	ZINC000587862700	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000587862703	HJ	Annotated	Bother	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccccc1C	ZINC000587862722	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccccc1C	ZINC000587862723	HJ	Annotated	Anodyne	
COc1cccc(O[C@H](C)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1	ZINC000587862725	HJ	Annotated	Anodyne	
COc1cccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1	ZINC000587862726	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(C)cc1	ZINC000587862845	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(C)cc1	ZINC000587862846	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN[C@@H](C)c1ccccc1	ZINC000587862852	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN[C@H](C)c1ccccc1	ZINC000587862853	HJ	Annotated	Anodyne	
COc1ccccc1O[C@H](C)C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC	ZINC000587862870	HJ	Annotated	Anodyne	
COc1ccccc1O[C@@H](C)C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC	ZINC000587862871	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C)nc(-c2ccccn2)n1	ZINC000587862910	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Nc1ccc([N+](=O)[O-])cc1C	ZINC000587862926	HJ	Annotated	Bother	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCc1nc2ccccc2[nH]1	ZINC000587862995	HJ	Annotated	Anodyne	
COc1ccc(COC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1	ZINC000587863046	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(Cl)nc(SC)n1	ZINC000587863057	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(C(=O)OC(C)(C)C)cn1	ZINC000587863087	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Nc1ccc(N(C)C)cc1	ZINC000587863191	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NCCc1ccccc1	ZINC000587863288	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccc([N+](=O)[O-])cc1	ZINC000587863539	HJ	Annotated	Bother	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NCCc1cccs1	ZINC000587863699	HJ	Annotated	Anodyne	
C#Cc1cccc(NC(=S)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1	ZINC000587863740	HJ	Annotated	Mild	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2sccc2cn1	ZINC000587863752	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccc2c(c1)OCO2	ZINC000587863826	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccccc1[N+](=O)[O-]	ZINC000587863838	HJ	Annotated	Bother	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNc1cccc(OC)c1	ZINC000587863850	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccccc2)[nH]n1	ZINC000587863932	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccc1N1CCCC1	ZINC000587863938	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(C(F)(F)F)s1	ZINC000587864041	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C)nn1C(F)F	ZINC000587864049	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(CC)cc1Cl	ZINC000587864065	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN1CCCc2ccccc21	ZINC000587864079	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(OC)cc(OC)c1	ZINC000587864196	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1noc2ccccc12	ZINC000587864198	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2cc3c(cc2s1)OCO3	ZINC000587864202	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ncoc1C(C)(C)C	ZINC000587864237	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1cccc([N+](=O)[O-])c1	ZINC000587864277	HJ	Annotated	Bother	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(Br)cn1	ZINC000587864325	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)CN1CCC(C)CC1	ZINC000587864329	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)CN1CCC(C)CC1	ZINC000587864330	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nnc2c(n1)[nH]c1c(C)cccc12	ZINC000587864343	HJ	Annotated	Anodyne	
COc1ccc(CNC(=S)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1	ZINC000587864344	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C(=O)OC)ccc1F	ZINC000587864409	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1cc(Cl)cn1	ZINC000587864422	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1cc(Cl)cn1	ZINC000587864423	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C(F)(F)F)nn1	ZINC000587864434	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(C(F)(F)F)n1	ZINC000587864461	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc2c(c1)CCO2	ZINC000587864479	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1cccc(OC)c1	ZINC000587864515	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccccc1OC	ZINC000587864519	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(C#N)cc1	ZINC000587864568	HJ	Annotated	Mild	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccccc1C#N	ZINC000587864602	HJ	Annotated	Mild	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccc(N(C)C)cc1	ZINC000587864620	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nc2ccccc2s1	ZINC000587864663	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCc1ccc(O)c(O)c1	ZINC000587864728	HJ	Annotated	Clean	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C)n(C(F)F)n1	ZINC000587864753	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c(Cl)cnn1CC	ZINC000587864778	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cnc2onc(C)c2c1	ZINC000587864780	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc2nccnc2c1	ZINC000587864786	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2cccs2)on1	ZINC000587864916	HJ	Annotated	Anodyne	
COc1ccc(NC(=S)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1	ZINC000587864919	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2cccs2)[nH]n1	ZINC000587864951	HJ	Annotated	Anodyne	
CCOC(=O)c1sc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)nc1C	ZINC000587864958	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccco2)on1	ZINC000587865040	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c(OC)cccc1OC	ZINC000587865079	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnc(C(F)(F)F)n1	ZINC000587865098	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNc1ccc(F)cc1	ZINC000587865355	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(Cl)nc(COC)n1	ZINC000587865359	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1cccc(F)c1	ZINC000587865364	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1cc(Cl)cn1	ZINC000587865381	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(N(CC)CC)n1	ZINC000587865553	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000587865579	HJ	Annotated	Mild	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2cc(N)ccc2o1	ZINC000587865605	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccc([N+](=O)[O-])cc2[nH]1	ZINC000587865609	HJ	Annotated	Bother	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000587865720	HJ	Annotated	Bother	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1nc(C)cc1C	ZINC000587865806	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nncc(-c2ccccc2)n1	ZINC000587865868	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000587865926	HJ	Annotated	Bother	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1[nH]c2ccccc2c1N	ZINC000587866022	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C(C)(C)C)n[nH]1	ZINC000587866023	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c(C)nc2ccccn12	ZINC000587866026	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C1CN(C(=O)OC(C)(C)C)C1	ZINC000587866032	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccco2)[nH]n1	ZINC000587866033	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000587866112	HJ	Annotated	Bother	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(-c2ccccc2)n1C	ZINC000587866126	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000587866149	HJ	Annotated	Bother	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cnc2ccccc21	ZINC000587866180	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(C)n1-c1ccccc1	ZINC000587866193	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cn2c(C)cccc2n1	ZINC000587866254	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(OC)cc1[N+](=O)[O-]	ZINC000587866361	HJ	Annotated	Bother	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000587866377	HJ	Annotated	Bother	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sc(CC)nc1C	ZINC000587866438	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cl)c(Cl)c1	ZINC000587866513	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccc(Br)cc1	ZINC000587866579	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cn2ccc(C)cc2n1	ZINC000587866608	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)NCCc1cccs1	ZINC000587866819	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Cn2cncn2)cc1	ZINC000587866838	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCN1CCCCCC1	ZINC000587866857	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccc(OC)nc1	ZINC000587866890	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c(Cl)cccc1Cl	ZINC000587866927	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(-c2ccccn2)s1	ZINC000587866933	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1cn2ccsc2n1	ZINC000587866948	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C#N)c(Br)c1	ZINC000587866965	HJ	Annotated	Mild	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(Cl)c1Cl	ZINC000587867116	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1cccc(Br)c1	ZINC000587867128	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccccc1Br	ZINC000587867138	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(=O)n(C)c2ccccc12	ZINC000587867157	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc2n[nH]cc2c1	ZINC000587867189	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nn2cnnc2c2ccccc12	ZINC000587867204	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNc1cccc(Cl)c1C	ZINC000587867234	HJ	Annotated	Anodyne	
CCc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1	ZINC000587867236	HJ	Annotated	Anodyne	
CCc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1	ZINC000587867240	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccccc1C(C)C	ZINC000587867389	HJ	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c(C)nc2sccn12	ZINC000587867416	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1	ZINC000587867419	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNc1c(C)cc(C)cc1C	ZINC000587867496	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(C(C)C)cc1	ZINC000587867501	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc2ccccc2c1O	ZINC000587867503	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(C)c(C)c1	ZINC000587867548	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(C)c(C)c1	ZINC000587867549	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C#N)cc1C(F)(F)F	ZINC000587867580	HJ	Annotated	Mild	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)nc2ccccc12	ZINC000587867620	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1c(C)cc(C)cc1C	ZINC000587867641	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(C)cc1C	ZINC000587867642	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(C)cc1C	ZINC000587867643	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(OCC(C)C)cc1	ZINC000587867653	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1c(F)cccc1Cl	ZINC000587867695	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(C(F)(F)F)cc1	ZINC000587867737	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Br)c(F)c1	ZINC000587867761	HJ	Annotated	Anodyne	
COc1ccc2c(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)cc(C)nc2c1	ZINC000587867796	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1cccc(C)c1C	ZINC000587867836	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1cccc(C)c1C	ZINC000587867838	HJ	Annotated	Anodyne	
COc1ccc2nc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)c(C)cc2c1	ZINC000587867855	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(C(C)(C)C)cc1	ZINC000587867955	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C(F)(F)F)cc(C)n1	ZINC000587867984	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(F)c(F)cc1Cl	ZINC000587867990	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccccc1OC(F)(F)F	ZINC000587868018	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc2c(C)cc(C)c(O)c2n1	ZINC000587868044	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2c1oc1ccccc12	ZINC000587868158	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2ccccc2cc1O	ZINC000587868204	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(-c2ccccc2F)nn1	ZINC000587868310	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2c(F)cc(F)cc2s1	ZINC000587868315	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(Cl)c2ccccc12	ZINC000587868358	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(-c2ccccc2)nc(C)n1	ZINC000587868422	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1C[C@@H]1c1ccc(C)cc1	ZINC000587868445	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1C[C@H]1c1ccc(C)cc1	ZINC000587868446	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1C[C@@H]1c1ccc(C)cc1	ZINC000587868447	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1C[C@H]1c1ccc(C)cc1	ZINC000587868448	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(C(F)(F)F)c1	ZINC000587868566	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(Cl)cc(Cl)c1	ZINC000587868609	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1C(F)(F)F	ZINC000587868610	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C(F)F)cc(C2CC2)n1	ZINC000587868620	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc2c(n1)-c1ccccc1CC2	ZINC000587868637	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1cc(C)ccc1F	ZINC000587868667	HJ	Annotated	Anodyne	
COc1ccc2c(C)cc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)nc2c1	ZINC000587868753	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1ccccc1F	ZINC000587868803	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(C(F)(F)F)cc1C	ZINC000587868831	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000587868866	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1c(F)c(F)c(F)c(F)c1F	ZINC000587868875	HJ	Annotated	Mild	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(-c2ccc(C)cc2)nn1	ZINC000587868919	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1oc2ccccc2c1C	ZINC000587868936	HJ	Annotated	Anodyne	
CCCn1c(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc2ccccc21	ZINC000587868958	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1(c2ccc(Cl)cc2)CC1	ZINC000587869006	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2ccc(Cl)cc2)no1	ZINC000587869010	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1[nH]c2ccccc2c1Cl	ZINC000587869028	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N[C@H](C)CCCC(C)C	ZINC000587869073	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N[C@@H](C)CCCC(C)C	ZINC000587869074	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2sccc2s1	ZINC000587869131	HJ	Annotated	Anodyne	
CCc1cc2c(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)ncnc2s1	ZINC000587869148	HJ	Annotated	Anodyne	
CCCc1cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)sc1C	ZINC000587869176	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csc2c1CC[C@@H](C)C2	ZINC000587869177	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csc2c1CC[C@H](C)C2	ZINC000587869178	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Br)c(Cl)o1	ZINC000587869186	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccccc2[nH]c1=S	ZINC000587869192	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(s1)CC[C@@H](C)C2	ZINC000587869214	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(s1)CC[C@H](C)C2	ZINC000587869215	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccccc1Br	ZINC000587869218	HJ	Annotated	Anodyne	
CCOc1ccc(NC(=S)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1	ZINC000587869223	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N[C@@H]1CCC[C@@H](C)[C@@H]1C	ZINC000587869232	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N[C@@H]1CCC[C@H](C)[C@H]1C	ZINC000587869233	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N[C@@H]1CCC[C@H](C)[C@@H]1C	ZINC000587869234	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N[C@@H]1CCC[C@@H](C)[C@H]1C	ZINC000587869235	HJ	Annotated	Anodyne	
COc1ccc(C)c2sc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)nc12	ZINC000587869286	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1c(C)cccc1C	ZINC000587869301	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccc(Br)cc1	ZINC000587869374	HJ	Annotated	Anodyne	
CCCCC[C@@H](C)CNC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC	ZINC000587869376	HJ	Annotated	Anodyne	
CCCCC[C@H](C)CNC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC	ZINC000587869377	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C)nc2sc(C)c(C)c12	ZINC000587869378	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccccc1Br	ZINC000587869379	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccc(Br)cc2[nH]1	ZINC000587869383	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1cccc(C)c1C	ZINC000587869395	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2sc(C)c(C)c12	ZINC000587869401	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1-c1ncc(Br)c2cccnc12	ZINC000587869439	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(s1)CCCCC2	ZINC000587869469	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(OC)ccc1Br	ZINC000587869486	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(Br)cc1[N+](=O)[O-]	ZINC000587869516	HJ	Annotated	Bother	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csc2ccccc12	ZINC000587869518	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(Br)cc1	ZINC000587869554	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(s1)C[C@H](C)CC2	ZINC000587869565	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(s1)C[C@@H](C)CC2	ZINC000587869566	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csc2c1CCCC2	ZINC000587869577	HJ	Annotated	Anodyne	
CCc1ccccc1NC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC	ZINC000587869643	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1cccc(SC)c1	ZINC000587869645	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1cc(Cl)c(OC)cc1OC	ZINC000587869664	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccc(Br)cc1	ZINC000587869665	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1cc(OC)c(Cl)cc1OC	ZINC000587869708	HJ	Annotated	Anodyne	
COc1cccc2sc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)nc12	ZINC000587869710	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1-c1cc(Br)cc2n[nH]cc12	ZINC000587869715	HJ	Annotated	Anodyne	
CCOc1ccc2nc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)sc2c1	ZINC000587869794	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccc(C)c(C)c1	ZINC000587869798	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1cc(C)ccc1C	ZINC000587869799	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(s1)CCCC2	ZINC000587869849	HJ	Annotated	Anodyne	
CCOc1cccc2sc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)nc12	ZINC000587869925	HJ	Annotated	Anodyne	
COc1ccc(C)cc1NC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC	ZINC000587869962	HJ	Annotated	Anodyne	
COc1ccc2sc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)nc2c1	ZINC000587869966	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1cccc(Cl)c1	ZINC000587869974	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cccc(Br)c1	ZINC000587869998	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1scc(C)c1Cl	ZINC000587870020	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccc(Cl)cc1	ZINC000587870111	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1ccc(C)cc1	ZINC000587870131	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(NC(=O)CC(C)C)cc1	ZINC000587870185	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSCc1ccccc1	ZINC000587870228	HJ	Annotated	Anodyne	
CCCCC(=O)Nc1ccc(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)cc1	ZINC000587870411	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCC(=O)Nc1ccc(C)cc1C	ZINC000587870415	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCC(=O)Nc1cc(C)ccc1C	ZINC000587870456	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Cn1nc(C(F)(F)F)cc1C	ZINC000587870562	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Cn1nc(C(F)(F)F)cc1C	ZINC000587870565	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc(F)cc1Cl	ZINC000587870579	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCc1nnc(-c2ccc(C)cc2)o1	ZINC000587870582	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(F)cc1Cl	ZINC000587870584	HJ	Annotated	Anodyne	
C=CCc1ccc(O[C@@H](C)C(=O)n2nc(-c3cccc(F)c3)cc2OCC)c(OC)c1	ZINC000587870611	HJ	Annotated	Mild	
C=CCc1ccc(O[C@H](C)C(=O)n2nc(-c3cccc(F)c3)cc2OCC)c(OC)c1	ZINC000587870613	HJ	Annotated	Mild	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCCCNC(=O)OC(C)(C)C	ZINC000587870638	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(I)cc1	ZINC000587870643	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(F)cc(Br)c1	ZINC000587870711	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCC(=O)Nc1ccc(C)c(C)c1	ZINC000587870824	HJ	Annotated	Anodyne	
CCOc1ccc(CC(=O)n2nc(-c3cccc(F)c3)cc2OCC)cc1OCC	ZINC000587870837	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(C(F)(F)F)cc1	ZINC000587870868	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1-c1nccc(-c2ccc(OC)c(F)c2)n1	ZINC000587871011	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCc1nc(-c2ccccc2C)no1	ZINC000587871047	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc2cc(OC)ccc2c1	ZINC000587871077	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNc1cccc(C(F)(F)F)c1	ZINC000587871150	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1Cc2c(ccc3ccccc23)O1	ZINC000587871189	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1Cc2c(ccc3ccccc23)O1	ZINC000587871191	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](CC)n1nc(C)c(Cl)c1C	ZINC000587871214	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](CC)n1nc(C)c(Cl)c1C	ZINC000587871216	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(F)ccc1Br	ZINC000587871231	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC	ZINC000587871256	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(F)cc1Br	ZINC000587871273	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1nc(C(F)(F)F)cc1C	ZINC000587871285	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1nc(C(F)(F)F)cc1C	ZINC000587871286	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCC(=O)Nc1ccccc1Cl	ZINC000587871314	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccccc2)o1	ZINC000587871351	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ncc(C(F)(F)F)cc1Cl	ZINC000587871360	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1nc(C(F)F)cc1C(F)F	ZINC000587871368	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(OC(F)(F)F)cc1	ZINC000587871381	HJ	Annotated	Anodyne	
Cc1ccc(OCC(=O)n2nc3cc2oc2ccc(F)cc32)c(Br)c1	ZINC000587871871	HJ	Annotated	Anodyne	
COc1ccc(Br)c(C(=O)n2nc3cc2oc2ccc(F)cc32)c1C	ZINC000587872088	HJ	Annotated	Anodyne	
CC[C@@H](C(=O)n1nc2cc1oc1ccc(F)cc21)n1nc(C)c(Br)c1C	ZINC000587872100	HJ	Annotated	Anodyne	
CC[C@H](C(=O)n1nc2cc1oc1ccc(F)cc21)n1nc(C)c(Br)c1C	ZINC000587872101	HJ	Annotated	Anodyne	
CCOC(=O)c1ccc(NC(=S)n2nc(-c3cccc(F)c3)cc2OCC)cc1	ZINC000587872163	HJ	Annotated	Anodyne	
Cc1cc(OCC(=O)n2nc3cc2oc2ccc(F)cc32)ccc1Br	ZINC000587872172	HJ	Annotated	Anodyne	
C[C@H](Oc1cccc(Br)c1)C(=O)n1nc2cc1oc1ccc(F)cc21	ZINC000587872186	HJ	Annotated	Anodyne	
C[C@@H](Oc1cccc(Br)c1)C(=O)n1nc2cc1oc1ccc(F)cc21	ZINC000587872187	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccc(CC)cc2)[nH]n1	ZINC000587872262	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)nc2c1c(C)nn2C(C)C	ZINC000587872269	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cc(C)ccc2C)[nH]n1	ZINC000587872283	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1-c1ncc2c(n1)-c1ccc(OC)cc1CC2	ZINC000587872288	HJ	Annotated	Anodyne	
CCOc1ccc(-c2cc(C(=O)n3nc(-c4cccc(F)c4)cc3OCC)n[nH]2)cc1	ZINC000587872345	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(Cn2nc(C)cc2C)c1	ZINC000587872395	HJ	Annotated	Anodyne	
CCc1ccc(OCC(=O)n2nc3cc2oc2ccc(F)cc32)c(Br)c1	ZINC000587872538	HJ	Annotated	Anodyne	
Cc1ccc(Cl)c(OCn2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)n2)c1	ZINC000587872595	HJ	Annotated	Anodyne	
CCCn1nc(C)c2c(C(=O)n3nc(-c4cccc(F)c4)cc3OCC)cc(C)nc21	ZINC000587872628	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1	ZINC000587872704	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc(Br)cc1)C(=O)n1nc2cc1oc1ccc(F)cc21	ZINC000587872824	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccc(Br)cc1)C(=O)n1nc2cc1oc1ccc(F)cc21	ZINC000587872825	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn(-c2ccc(C)cc2)c1C	ZINC000587873020	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nc2ccccc2n1CC	ZINC000587873025	HJ	Annotated	Anodyne	
Cc1noc2nc(-c3ccco3)cc(C(=O)n3nc4cc3oc3ccc(F)cc43)c12	ZINC000587873191	HJ	Annotated	Anodyne	
Cc1cc(Br)ccc1OCC(=O)n1nc2cc1oc1ccc(F)cc21	ZINC000587873322	HJ	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCCc1ccc(Cl)cc1	ZINC000587873375	HJ	Annotated	Anodyne	
CCn1cc(-c2cc(C(F)(F)F)nc(-n3nc4cc3oc3ccc(F)cc43)n2)cn1	ZINC000587873523	HJ	Annotated	Anodyne	
Cn1nc(C(F)(F)F)c2cc(C(=O)n3nc4cc3oc3ccc(F)cc43)sc21	ZINC000587873624	HJ	Annotated	Anodyne	
CCn1ncc(-c2cc(C(F)F)nc(-n3nc4cc3oc3ccc(F)cc43)n2)c1C	ZINC000587873638	HJ	Annotated	Anodyne	
O=C(CCn1nc(C(F)(F)F)cc1C1CC1)n1nc2cc1oc1ccc(F)cc21	ZINC000587873700	HJ	Annotated	Anodyne	
O=C(Cn1nc(C(F)F)c(Cl)c1C1CC1)n1nc2cc1oc1ccc(F)cc21	ZINC000587873705	HJ	Annotated	Anodyne	
Cc1cc(Cl)ccc1OCn1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)n1	ZINC000587873750	HJ	Annotated	Anodyne	
C[C@H](C(=O)n1nc2cc1oc1ccc(F)cc21)n1nc(C(F)(F)F)cc1C1CC1	ZINC000587873824	HJ	Annotated	Anodyne	
C[C@@H](C(=O)n1nc2cc1oc1ccc(F)cc21)n1nc(C(F)(F)F)cc1C1CC1	ZINC000587873825	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc(OC(F)(F)F)cc1)C(=O)n1nc2cc1oc1ccc(F)cc21	ZINC000587873867	HJ	Annotated	Anodyne	
C[C@@H](Oc1ccc(OC(F)(F)F)cc1)C(=O)n1nc2cc1oc1ccc(F)cc21	ZINC000587873870	HJ	Annotated	Anodyne	
Cc1cc(OCn2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)n2)ccc1Cl	ZINC000587874040	HJ	Annotated	Anodyne	
Cc1nn(Cc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)o2)c(C)c1Cl	ZINC000587874049	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1-n1nc2cc1oc1ccc(F)cc21	ZINC000587874099	HJ	Annotated	Bother	
O=C(COc1ccc(Br)cc1F)n1nc2cc1oc1ccc(F)cc21	ZINC000587874164	HJ	Annotated	Anodyne	
CCOc1cc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc(OCC)c1OCC	ZINC000587874245	HJ	Annotated	Anodyne	
O=C(CNc1ncc(C(F)(F)F)cc1Cl)n1nc2cc1oc1ccc(F)cc21	ZINC000587874418	HJ	Annotated	Anodyne	
O=C(c1ccc(COc2ccccc2[N+](=O)[O-])o1)n1nc2cc1oc1ccc(F)cc21	ZINC000587874435	HJ	Annotated	Bother	
COc1ccc(OCc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)o2)cc1	ZINC000587874480	HJ	Annotated	Anodyne	
COc1cccc(OCc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)o2)c1	ZINC000587874486	HJ	Annotated	Anodyne	
COc1ccccc1OCc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)o1	ZINC000587874496	HJ	Annotated	Anodyne	
O=C(c1cc(N2CCCCC2)ccc1[N+](=O)[O-])n1nc2cc1oc1ccc(F)cc21	ZINC000587874629	HJ	Annotated	Bother	
O=C(c1cc(C2CC2)nc2onc(C3CC3)c12)n1nc2cc1oc1ccc(F)cc21	ZINC000587874682	HJ	Annotated	Anodyne	
O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)n1nc2cc1oc1ccc(F)cc21	ZINC000587874757	HJ	Annotated	Anodyne	
O=C(c1ccc(COc2cccc([N+](=O)[O-])c2)o1)n1nc2cc1oc1ccc(F)cc21	ZINC000587875036	HJ	Annotated	Bother	
Nc1nc(C(=O)n2nc3cc2oc2ccc(F)cc32)c(-c2ccc(Cl)cc2)s1	ZINC000587875278	HJ	Annotated	Anodyne	
COc1ccc(-c2cc(N)c(C(=O)n3nc4cc3oc3ccc(F)cc43)s2)cc1	ZINC000587875418	HJ	Annotated	Anodyne	
CCN(CC)c1ccc2cc(C(=O)n3nc4cc3oc3ccc(F)cc43)c(=O)oc2c1	ZINC000587875436	HJ	Annotated	Anodyne	
CCn1c(SCC(=O)n2nc3cc2oc2ccc(F)cc32)nnc1-c1ccccc1	ZINC000587875739	HJ	Annotated	Anodyne	
CC(C)c1ccc(OCn2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)n2)cc1	ZINC000587875806	HJ	Annotated	Anodyne	
O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)n1nc2cc1oc1ccc(F)cc21	ZINC000587875918	HJ	Annotated	Bother	
Cn1nc(C2CC2)c2c(C(=O)n3nc4cc3oc3ccc(F)cc43)cc(C3CC3)nc21	ZINC000587875929	HJ	Annotated	Anodyne	
CCCCCn1nc(C(=O)n2nc3cc2oc2ccc(F)cc32)c2ccccc2c1=O	ZINC000587876315	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)n1nc2cc1oc1ccc(F)cc21	ZINC000587876328	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)n1nc2cc1oc1ccc(F)cc21	ZINC000587876332	HJ	Annotated	Anodyne	
O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc([N+](=O)[O-])cc2ccoc12	ZINC000587876551	HJ	Annotated	Mild	
O=C(OCc1ccccc1)N1CCC[C@H](C(=O)n2nc3cc2oc2ccc(F)cc32)C1	ZINC000587876703	HJ	Annotated	Anodyne	
O=C(OCc1ccccc1)N1CCC[C@@H](C(=O)n2nc3cc2oc2ccc(F)cc32)C1	ZINC000587876704	HJ	Annotated	Anodyne	
CCCc1cc2c(=O)n([C@H](C)C(=O)n3nc4cc3oc3ccc(F)cc43)cnc2s1	ZINC000587876864	HJ	Annotated	Anodyne	
CCCc1cc2c(=O)n([C@@H](C)C(=O)n3nc4cc3oc3ccc(F)cc43)cnc2s1	ZINC000587876865	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)n2nc3cc2oc2ccc(F)cc32)CC1	ZINC000587876894	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)n2nc3cc2oc2ccc(F)cc32)CC1	ZINC000587876901	HJ	Annotated	Anodyne	
CC(C)(C)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(O)c(C=O)c1	ZINC000587877303	HJ	Annotated	Mild	
CC(C)CNc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C#N	ZINC000587877320	HJ	Annotated	Mild	
Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c([N+](=O)[O-])c1	ZINC000587877374	HJ	Annotated	Mild	
CCOc1c(Cl)cc(C=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587877381	HJ	Annotated	Mild	
Cc1ccc(C(=O)Cl)c(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587877613	HJ	Annotated	Reactive	
Cc1cc([N+](=O)[O-])cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1Cl	ZINC000587877884	HJ	Annotated	Mild	
CC(C)(C)Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C#N	ZINC000587878052	HJ	Annotated	Mild	
CCOC(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1Cl	ZINC000587878086	HJ	Annotated	Mild	
COC(=O)c1ccc(C(C)C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	ZINC000587878416	HJ	Annotated	Mild	
CC(=O)Nc1ccc(C(C)C)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587878434	HJ	Annotated	Mild	
CC(C)(C)c1ccc(C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587878533	HJ	Annotated	Mild	
N#CC1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(Cl)c2)CC1	ZINC000587878570	HJ	Annotated	Mild	
Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(-c2ccccc2)c1	ZINC000587878596	HJ	Annotated	Mild	
CC(C)(C)c1ccc(C(=O)O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	ZINC000587878746	HJ	Annotated	Mild	
CC(C)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	ZINC000587878954	HJ	Annotated	Mild	
CC(C)(C)C(=O)Nc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587879475	HJ	Annotated	Mild	
CCOC(OCC)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587880236	HJ	Annotated	Mild	
N[C@@H](c1ccccc1)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587880245	HJ	Annotated	Mild	
N[C@H](c1ccccc1)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587880251	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1[C@@H](O)c1ccccc1	ZINC000587880270	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1[C@H](O)c1ccccc1	ZINC000587880271	HJ	Annotated	Mild	
CC(C)c1ccc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587880276	HJ	Annotated	Mild	
CCCCCCc1ncncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587880421	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncnc1C1CCCCC1	ZINC000587880550	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccnc1Oc1ccccc1	ZINC000587880554	HJ	Annotated	Mild	
Cc1ccc(C)c(-c2ncncc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	ZINC000587880625	HJ	Annotated	Mild	
Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Cl)c1N=C=O	ZINC000587880631	HJ	Annotated	Reactive	
CCCCCOc1ncccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587880643	HJ	Annotated	Mild	
CCCCCNc1ncccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587880689	HJ	Annotated	Mild	
CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1Cl	ZINC000587880783	HJ	Annotated	Mild	
CC(C)COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C=O	ZINC000587880792	HJ	Annotated	Mild	
COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1CCCCl	ZINC000587880955	HJ	Annotated	Reactive	
CCCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C=O	ZINC000587881098	HJ	Annotated	Mild	
CC(C)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(=O)O	ZINC000587881186	HJ	Annotated	Mild	
N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C2CC2)nc1Cl	ZINC000587881590	HJ	Annotated	Mild	
O=Cc1cnccc1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	ZINC000587881787	HJ	Annotated	Mild	
C[C@H]1CCCN1Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	ZINC000587881958	HJ	Annotated	Mild	
C[C@@H]1CCCN1Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	ZINC000587881959	HJ	Annotated	Mild	
CC(C)COCc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	ZINC000587882242	HJ	Annotated	Mild	
O=Cc1ccc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)o1	ZINC000587882302	HJ	Annotated	Mild	
CC(C)(C)C(=O)Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	ZINC000587882437	HJ	Annotated	Mild	
CC(C)(C)C(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1O	ZINC000587882483	HJ	Annotated	Mild	
Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OCC2CC2)c1	ZINC000587882495	HJ	Annotated	Mild	
CCOC(OCC)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	ZINC000587882559	HJ	Annotated	Mild	
CC(C)CC(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	ZINC000587882751	HJ	Annotated	Mild	
CC(C)C[C@@](C)(N)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	ZINC000587882951	HJ	Annotated	Mild	
CC(C)C[C@](C)(N)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	ZINC000587882952	HJ	Annotated	Mild	
N[C@@H](c1ccccc1)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	ZINC000587882992	HJ	Annotated	Mild	
N[C@H](c1ccccc1)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	ZINC000587882993	HJ	Annotated	Mild	
CC(C)(C)OC(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	ZINC000587883081	HJ	Annotated	Mild	
CC(C)(C)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1	ZINC000587883130	HJ	Annotated	Mild	
O=C(O)CCCCc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	ZINC000587883145	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C2CCOCC2)cc1	ZINC000587883333	HJ	Annotated	Mild	
Nc1cccc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c1	ZINC000587883353	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H]2CCCCCN2)cc1	ZINC000587883441	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H]2CCCCCN2)cc1	ZINC000587883442	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(COCC2CC2)cc1	ZINC000587883443	HJ	Annotated	Mild	
O=Cc1ccc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)o1	ZINC000587883546	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C2=CCOCC2)cc1	ZINC000587883568	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H](O)c2ccccc2)cc1	ZINC000587883906	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H](O)c2ccccc2)cc1	ZINC000587883907	HJ	Annotated	Mild	
O=N[C@H]1CCCOc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21	ZINC000587884144	HJ	Annotated	Mild	
O=N[C@@H]1CCCOc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21	ZINC000587884145	HJ	Annotated	Mild	
C[C@@H](Cl)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	ZINC000587884321	HJ	Annotated	Reactive	
C[C@H](Cl)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	ZINC000587884322	HJ	Annotated	Reactive	
CC(C)=C1NCCc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21	ZINC000587884354	HJ	Annotated	Mild	
CCN[C@@H](CC)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	ZINC000587884558	HJ	Annotated	Mild	
CCN[C@H](CC)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	ZINC000587884559	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)c2ccco2)cc1	ZINC000587884574	HJ	Annotated	Mild	
N[C@@H](c1ccccc1)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	ZINC000587884620	HJ	Annotated	Mild	
N[C@H](c1ccccc1)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	ZINC000587884621	HJ	Annotated	Mild	
CC1(C)CCC(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21	ZINC000587884697	HJ	Annotated	Mild	
C=CCO[C@@H](C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	ZINC000587884853	HJ	Annotated	Mild	
CC1(C)CCNc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21	ZINC000587884854	HJ	Annotated	Mild	
C=CCO[C@H](C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	ZINC000587884855	HJ	Annotated	Mild	
CC1(C)C=Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2O1	ZINC000587884915	HJ	Annotated	Mild	
C=CCC[C@H](O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	ZINC000587885125	HJ	Annotated	Mild	
C=CCC[C@@H](O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	ZINC000587885136	HJ	Annotated	Mild	
Nc1ccc2c(c1)Cc1cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc1-2	ZINC000587885246	HJ	Annotated	Mild	
CC1(C)CC(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21	ZINC000587885256	HJ	Annotated	Mild	
CCCCOc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C	ZINC000587885547	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c([N+](=O)[O-])cccc2c1	ZINC000587885617	HJ	Annotated	Mild	
CCCCc1[nH]nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12	ZINC000587885866	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O[C@@H]2CCCCO2)cc1	ZINC000587885938	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O[C@H]2CCCCO2)cc1	ZINC000587885940	HJ	Annotated	Mild	
CC(C)[C@H](C#N)Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	ZINC000587886243	HJ	Annotated	Mild	
CC(C)[C@@H](C#N)Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	ZINC000587886244	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NCc2ccccn2)cc1	ZINC000587886339	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccccn2)cc1	ZINC000587886359	HJ	Annotated	Mild	
CC(C)n1cnc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21	ZINC000587886493	HJ	Annotated	Mild	
Cc1nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2n1C(C)C	ZINC000587886578	HJ	Annotated	Mild	
CCCCc1[nH]nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12	ZINC000587886599	HJ	Annotated	Mild	
CC(C)c1nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2o1	ZINC000587886604	HJ	Annotated	Mild	
Cc1nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1C(C)C	ZINC000587886788	HJ	Annotated	Mild	
C#CCOc1ccc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1	ZINC000587886828	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2oc(CCl)nc2c1	ZINC000587886849	HJ	Annotated	Reactive	
CC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2o1	ZINC000587886854	HJ	Annotated	Mild	
CC(C)(C)n1cnc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21	ZINC000587886883	HJ	Annotated	Mild	
CC(C)n1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1	ZINC000587886893	HJ	Annotated	Mild	
CCCCn1cnc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21	ZINC000587886926	HJ	Annotated	Mild	
CCCCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1	ZINC000587887116	HJ	Annotated	Mild	
CC(C)Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1Cl	ZINC000587887453	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Nc2ccccc2)nc1	ZINC000587887556	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccccc2)nc1	ZINC000587887679	HJ	Annotated	Mild	
C#CCOc1ccc2ccccc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587888044	HJ	Annotated	Mild	
O=C=Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000587888290	HJ	Annotated	Reactive	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2cccc(C(=O)O)c12	ZINC000587888664	HJ	Annotated	Mild	
CC1(C)COc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2OC1	ZINC000587888703	HJ	Annotated	Mild	
Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c1C(C)(C)CN2	ZINC000587888857	HJ	Annotated	Mild	
COc1c(C#N)cc2ccccc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587889255	HJ	Annotated	Mild	
CC(C)(C)c1nc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)nccc2o1	ZINC000587889512	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(NCc2ccccc2)n1	ZINC000587889938	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(NC2CCCCC2)n1	ZINC000587889990	HJ	Annotated	Mild	
O=Cc1ccc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)n2)cc1	ZINC000587890007	HJ	Annotated	Mild	
O=Cc1ccccc1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1	ZINC000587890061	HJ	Annotated	Mild	
CC(=O)c1cc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2o1	ZINC000587890295	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)Cl)cc1	ZINC000587891158	HJ	Annotated	Mild	
Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC(F)(F)F)c1	ZINC000587891407	HJ	Annotated	Mild	
O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1	ZINC000587891458	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)F)c(F)c1	ZINC000587891504	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)F)c([N+](=O)[O-])c1	ZINC000587891595	HJ	Annotated	Mild	
N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1	ZINC000587891758	HJ	Annotated	Mild	
Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)(F)F	ZINC000587891835	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(OC(F)(F)F)c1	ZINC000587891849	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(SC(F)(F)F)nc1	ZINC000587891879	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(C(F)F)cccc1[N+](=O)[O-]	ZINC000587891944	HJ	Annotated	Mild	
O=Cc1ccc(C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587892100	HJ	Annotated	Mild	
COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1	ZINC000587892119	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cl)c(OC(F)F)c1	ZINC000587892198	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)cc(OC(F)F)c1	ZINC000587892215	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OCCCCF)cc1	ZINC000587892347	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NCC(F)(F)F)cc1	ZINC000587892350	HJ	Annotated	Mild	
O=Cc1ccc(C(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	ZINC000587892353	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(C(=O)C(F)(F)F)c1	ZINC000587892524	HJ	Annotated	Mild	
N#Cc1ccc(C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587892715	HJ	Annotated	Mild	
COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F	ZINC000587893004	HJ	Annotated	Mild	
N#Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F	ZINC000587893024	HJ	Annotated	Mild	
N#Cc1cc(C(F)(F)F)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587893039	HJ	Annotated	Mild	
C#Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(F)(F)F)c1	ZINC000587893075	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc(CCC(F)(F)F)c1	ZINC000587893079	HJ	Annotated	Mild	
O=Cc1cc(C(F)(F)F)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587893087	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OCC(F)(F)F)cc1	ZINC000587893092	HJ	Annotated	Mild	
N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(F)(F)F	ZINC000587893095	HJ	Annotated	Mild	
O=Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(F)(F)F)c1	ZINC000587893137	HJ	Annotated	Mild	
COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(F)(F)F	ZINC000587893219	HJ	Annotated	Mild	
CC(C)(C#N)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1F	ZINC000587894366	HJ	Annotated	Mild	
N#CCCCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F	ZINC000587894393	HJ	Annotated	Mild	
CC(C)(C#N)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F	ZINC000587894632	HJ	Annotated	Mild	
Cc1cc(Br)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587895989	HJ	Annotated	Mild	
CC(C)(CN)Sc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	ZINC000587896228	HJ	Annotated	Mild	
Cc1csc(Br)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587896306	HJ	Annotated	Mild	
Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)sc1Br	ZINC000587896396	HJ	Annotated	Mild	
CCCc1sc(C(C)=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587896413	HJ	Annotated	Mild	
NCCCCSc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587896593	HJ	Annotated	Mild	
CCSc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)O)c1	ZINC000587897162	HJ	Annotated	Mild	
CCCC[S@@](=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	ZINC000587897293	HJ	Annotated	Mild	
CCCC[S@](=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	ZINC000587897294	HJ	Annotated	Mild	
N#CC1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)s2)CCC1	ZINC000587897431	HJ	Annotated	Mild	
CC(C)C(=O)CCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1	ZINC000587897435	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(Oc2ccccc2)n1	ZINC000587897452	HJ	Annotated	Mild	
CC(=O)SCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cs1	ZINC000587897825	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-c1csc(O)n1	ZINC000587897919	HJ	Annotated	Mild	
CCOC(=O)c1c(Br)cccc1CC#Cc1cc(Cl)ccc1OC	ZINC000587897929	HJ	Annotated	Mild	
COC(=O)c1ccc(CC#Cc2cc(Cl)ccc2OC)c(CBr)c1	ZINC000587897941	HJ	Annotated	Reactive	
COC(=O)c1cccc(CBr)c1CC#Cc1cc(Cl)ccc1OC	ZINC000587897972	HJ	Annotated	Reactive	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2sc(C(=O)O)cc2c1	ZINC000587898032	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2nc(S)sc12	ZINC000587898073	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2sc(C(=O)O)cc12	ZINC000587898146	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1csc2cnc(Cl)nc12	ZINC000587898365	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2sc(S)nc12	ZINC000587898405	HJ	Annotated	Mild	
Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2nc(S)sc2c1	ZINC000587898689	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2cc(C(=O)O)sc2c1	ZINC000587898695	HJ	Annotated	Mild	
O=Cc1sc2ccccc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	ZINC000587898757	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cscc1CBr	ZINC000587898792	HJ	Annotated	Reactive	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2c(C(=O)O)csc12	ZINC000587898878	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(C(=O)O)sc2ccccc12	ZINC000587898924	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(-c2ccccc2)s1	ZINC000587898933	HJ	Annotated	Mild	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2cc(C(=O)O)sc12	ZINC000587898998	HJ	Annotated	Mild	
COC(=O)c1ccc(CBr)c(CC#Cc2cc(Cl)ccc2OC)c1	ZINC000587899093	HJ	Annotated	Reactive	
C[C@@H]1CSc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C1=O	ZINC000587899193	HJ	Annotated	Mild	
C[C@H]1CSc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C1=O	ZINC000587899194	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#CCc1nc2ccccc2nc1CBr	ZINC000587899286	HJ	Annotated	Reactive	
COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c(OC)c(Br)c1C	ZINC000587899618	HJ	Annotated	Mild	
COc1ccc(Cc2cc(C#Cc3cc(Cl)ccc3OC)c(N)c([N+](=O)[O-])c2)cc1	ZINC000587899638	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C(C)(C)C)cc([N+](=O)[O-])c1NC(C)=O	ZINC000587900091	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(Br)cc(Br)c1N	ZINC000587900167	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(OC)c(N)c(Br)c1Cl	ZINC000587900190	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(N)c(Cl)cc(Br)c1OC	ZINC000587900193	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(N)c(OC)cc(Br)c1Cl	ZINC000587900252	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(C)c(Br)cc([N+](=O)[O-])c1OC	ZINC000587900592	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C=O)cc(OC)c1OCc1ccccn1	ZINC000587900653	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(Br)cc(Br)c1O	ZINC000587900771	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(Cl)c(N)c(Br)c1OC	ZINC000587900847	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccccc1-c1nn(-c2ccncc2)cc1C=O	ZINC000587902286	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(C)nn(Cc2ccc(C(=O)Cl)o2)c1C	ZINC000587902294	HJ	Annotated	Reactive	
COc1ccc(Cl)cc1C#Cc1ccc2c(c(OC(C)=O)cn2C(C)=O)c1Cl	ZINC000587902918	HJ	Annotated	Mild	
CCOC(=O)c1c(C)nn(-c2ccccc2C#Cc2cc(Cl)ccc2OC)c1C	ZINC000587902928	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(C)nn(Cc2cc(CN=O)ccc2OC)c1C	ZINC000587903091	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccccc1-n1[nH]c(-c2ccccc2)cc1=O	ZINC000587903287	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C(=O)NC2CCCCC2)cc([N+](=O)[O-])c1	ZINC000587904835	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cccc(-n2ncc3c(Cl)nc(C)nc32)c1	ZINC000587904916	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(Cn2nnc(-c3ccccc3)c2N)cc1	ZINC000587906017	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc2[nH]c3c(c2c1)CC(=O)Nc1cccnc1-3	ZINC000587906985	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2c(C(=O)O)c[nH]c2cc1Br	ZINC000587907119	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2[nH]cc(C(=O)O)c2cc1Br	ZINC000587907769	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1	ZINC000587908721	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1	ZINC000587908723	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cn(C23CC4CC(CC(C4)C2)C3)nc1C(=O)O	ZINC000587908796	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cn(Cc2ccc(Cl)cc2Cl)nc1N	ZINC000587909336	HJ	Annotated	Mild	
COC(=O)c1cc(O)c2cc(C#Cc3cc(Cl)ccc3OC)c(Cl)c(C)c2n1	ZINC000587909357	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2c(OC(C)=O)cn(C(C)=O)c2cc1Cl	ZINC000587909423	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2c(O)cc(C(=O)O)nc2c(C)c1Cl	ZINC000587909559	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000587909631	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cn(Cc2ccc(Cl)c(Cl)c2)nc1N	ZINC000587909702	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2	ZINC000587909878	HJ	Annotated	Mild	
CNc1ccc(C#Cc2cc(Cl)ccc2OC)c2c1C(=O)c1ccccc1C2=O	ZINC000587909943	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(Br)cc2c1NC(=O)C2(C)C	ZINC000587910019	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(CNC(=O)OC(C)(C)C)c(Cl)n1	ZINC000587910427	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(Br)cc(Br)n1	ZINC000587910477	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnc(Br)cc1Br	ZINC000587910522	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(Br)c(Br)n1	ZINC000587910590	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(Br)ncc(Br)c1C	ZINC000587910605	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1nc(Br)ccc1Br	ZINC000587910635	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(Br)nc1Br	ZINC000587910698	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(Br)c(C)nc1Br	ZINC000587910705	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ncc(Br)cc1Br	ZINC000587910748	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ncc(Br)c(C)c1Br	ZINC000587910783	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(Br)c(Br)nc1C	ZINC000587910789	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(Br)cnc1Br	ZINC000587910802	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ncc(Br)cc1NC(=O)C(C)(C)C	ZINC000587910821	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(Br)c(Br)cn1	ZINC000587910866	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1nc(C)c(Br)cc1Br	ZINC000587910899	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(C(=O)O)[nH]c2ccc(Br)cc12	ZINC000587910997	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(Br)c2c(c3c1OCC3)C(=O)CC2	ZINC000587911203	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnc2c(Br)cc([N+](=O)[O-])cc2c1	ZINC000587911263	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(Br)c2c(c3c1CCC3=O)CCO2	ZINC000587911378	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cn(C(=O)OC(C)(C)C)c2ncnc(Cl)c12	ZINC000587911539	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(Br)cc2cc(C#N)c(N)nc12	ZINC000587911594	HJ	Annotated	Mild	
COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c2c(c1)ncn2C1CCCC1	ZINC000587911605	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(O)c(Br)nc(Cl)c1Cl	ZINC000587911614	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(Br)c2nc(N)c(C#N)cc2c1	ZINC000587911673	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1nc(Cl)c(Cl)c(Br)c1O	ZINC000587911728	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc2cc(Br)cnc12	ZINC000587911818	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnn(C2CCCCC2)c(=O)c1Br	ZINC000587912052	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(N2CC[C@@H](Br)C2=O)cc1C	ZINC000587912161	HJ	Annotated	Reactive	
COc1ccc(Cl)cc1C#Cc1ccc(N2CC[C@H](Br)C2=O)cc1C	ZINC000587912166	HJ	Annotated	Reactive	
COc1ccc(Cl)cc1C#Cc1cc(-c2ccccn2)cn(-c2ccccc2)c1=O	ZINC000587912382	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#CC1=C(Br)C(=O)O[C@@H]1c1ccccc1	ZINC000587912420	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#CC1=C(Br)C(=O)O[C@H]1c1ccccc1	ZINC000587912423	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(Br)cnn(C2CCCCC2)c1=O	ZINC000587912665	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#CC1=C(Br)[C@@H](c2ccccc2)OC1=O	ZINC000587912855	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#CC1=C(Br)[C@H](c2ccccc2)OC1=O	ZINC000587912856	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(NOCC(F)(F)F)=CCCO2	ZINC000587913757	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(Br)c(O)nc1C(F)(F)F	ZINC000587914356	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(Br)cc(OC(F)(F)F)c1N	ZINC000587914357	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(Br)c(C(F)(F)F)nc1O	ZINC000587914371	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(OC(F)(F)F)cc(Br)c1N	ZINC000587914379	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#CCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-]	ZINC000587914381	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1nc(C(F)(F)F)cc(Br)c1N	ZINC000587914398	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(OC(F)F)cc(Br)c1N	ZINC000587914498	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F	ZINC000587914510	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(Br)c(N)c(OC(F)(F)F)c1	ZINC000587914797	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(Br)c(N)nc1C(F)(F)F	ZINC000587914800	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(Br)cc(OC(F)F)c1N	ZINC000587914816	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(F)c(F)c([N+](=O)[O-])c1Br	ZINC000587914851	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(Br)c(N)c(OC(F)F)c1	ZINC000587914916	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C(F)(F)F)nc(Br)c1N	ZINC000587915059	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(OC(F)(F)F)cc1C#CC(C)(C)O	ZINC000587915465	HJ	Annotated	Mild	
CCOC(=O)c1nc2ccc(C(F)(F)F)cn2c1C#Cc1cc(Cl)ccc1OC	ZINC000587915468	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(SC(F)(F)F)cc([N+](=O)[O-])c1O	ZINC000587915506	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(Br)cc(F)c(F)c1[N+](=O)[O-]	ZINC000587915684	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(C=NNC(=O)OC(C)(C)C)c(F)c1	ZINC000587916591	HJ	Annotated	Reactive	
COc1ccc(Cl)cc1C#Cc1cc(C)cc(F)c1I	ZINC000587917149	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(I)c2ncccc12	ZINC000587917166	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(I)c2[nH]ccc2c1	ZINC000587917191	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(F)c(C)cc1I	ZINC000587917260	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnc2ccc(I)cc2c1	ZINC000587917289	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2ccccc2nc1I	ZINC000587917348	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#CCc1cc(F)cc(I)c1	ZINC000587917428	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C)c(F)cc1I	ZINC000587917435	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(I)cc(C)c1OC	ZINC000587917439	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccnc2ccc(I)cc12	ZINC000587917528	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cccc2cc(I)cnc12	ZINC000587917535	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(I)cc(F)c(F)c1F	ZINC000587917590	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#CCc1c(F)cccc1I	ZINC000587917604	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(F)ccc(I)c1F	ZINC000587917679	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(F)c(I)cc1C	ZINC000587917854	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(I)cc(F)c1F	ZINC000587917883	HJ	Annotated	Mild	
COc1cc(C#Cc2cc(Cl)ccc2OC)c(C)cc1I	ZINC000587918006	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(I)cc2cccnc12	ZINC000587918011	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(-n2c(S)nnc2-c2ccccn2)cc1	ZINC000587918664	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc2nc(S)n(-c3ccccc3)c(=O)c2c1	ZINC000587918665	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1sccc1CN1C(=O)c2ccccc2C1=O	ZINC000587918725	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(-c2nnc(S)n2Cc2ccccc2)o1	ZINC000587918781	HJ	Annotated	Mild	
CCCCCn1c(S)nc2ccc(C#Cc3cc(Cl)ccc3OC)cc2c1=O	ZINC000587918928	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(NC(=O)OC(C)(C)C)c(C(=O)O)s1	ZINC000587919049	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(-n2c(S)nc3ccccc3c2=O)cc1	ZINC000587919079	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(-n2c(S)nnc2-c2ccncc2)cc1	ZINC000587919081	HJ	Annotated	Mild	
CCc1sc(-c2nnc(S)n2CC)cc1C#Cc1cc(Cl)ccc1OC	ZINC000587919102	HJ	Annotated	Mild	
CCOC(=O)c1sccc1Oc1ncc(C#Cc2cc(Cl)ccc2OC)cn1	ZINC000587919112	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(-n2c(S)nnc2-c2cccnc2)cc1	ZINC000587919277	HJ	Annotated	Mild	
COC(=O)c1sc(C#Cc2cc(Cl)ccc2OC)cc1NC(=O)OC(C)(C)C	ZINC000587919316	HJ	Annotated	Mild	
COCCNCc1nc(-c2cccc(C#Cc3cc(Cl)ccc3OC)c2)cs1	ZINC000587920210	HJ	Annotated	Mild	
CCOC(=O)c1csc(Cc2ccccc2C#Cc2cc(Cl)ccc2OC)n1	ZINC000587920256	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(CN3CCNCC3)s2)cc1	ZINC000587920523	HJ	Annotated	Mild	
COC(=O)c1sc2nc(C3CC3)c(C#Cc3cc(Cl)ccc3OC)cc2c1N	ZINC000587920657	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(-c2csc(N3CCOCC3)n2)cc1	ZINC000587920661	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(-c2csc(NC[C@@H]3CCCO3)n2)cc1	ZINC000587921128	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(-c2csc(NC[C@H]3CCCO3)n2)cc1	ZINC000587921129	HJ	Annotated	Mild	
CCOC(=O)c1sc(-c2ccccn2)nc1CC#Cc1cc(Cl)ccc1OC	ZINC000587921151	HJ	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cccc(-c2ccc(CN3CCNCC3)s2)c1	ZINC000587921199	HJ	Annotated	Mild	
CCN1C(=O)/C(=C/c2ccc(C#Cc3cc(Cl)ccc3OC)o2)SC1=S	ZINC000587921427	HJ	Annotated	Mild	
CCN1C(=O)/C(=C\c2ccc(C#Cc3cc(Cl)ccc3OC)o2)SC1=S	ZINC000587921431	HJ	Annotated	Mild	
Cc1cc(-c2csc(-c3ccnc(-n4cncn4)c3)n2)c(C)n1-c1ccccc1F	ZINC000587922058	HJ	Annotated	Clean	
CCN(c1ccc(-c2csc(Cc3c(F)cccc3Cl)n2)cc1)S(C)(=O)=O	ZINC000587922267	HJ	Annotated	Anodyne	
CCN(c1ccc(-c2csc(-c3cccc4cnccc34)n2)cc1)S(C)(=O)=O	ZINC000587922310	HJ	Annotated	Anodyne	
O=C(OCc1ccccc1)N1CCO[C@H](c2nc(-c3cc(F)ccc3F)cs2)C1	ZINC000587922398	HJ	Annotated	Anodyne	
O=C(OCc1ccccc1)N1CCO[C@@H](c2nc(-c3cc(F)ccc3F)cs2)C1	ZINC000587922399	HJ	Annotated	Anodyne	
CCN(c1ccc(-c2csc(-c3cccc4cccnc34)n2)cc1)S(C)(=O)=O	ZINC000587922569	HJ	Annotated	Anodyne	
CCOc1ccc(-c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)cc1F	ZINC000587922664	HJ	Annotated	Anodyne	
CCN(c1ccc(-c2csc(Cc3ccc(Cl)cc3)n2)cc1)S(C)(=O)=O	ZINC000587922861	HJ	Annotated	Anodyne	
CCN(c1ccc(-c2csc(C(C)(C)c3ccccc3)n2)cc1)S(C)(=O)=O	ZINC000587922966	HJ	Annotated	Anodyne	
CCN(c1ccc(-c2csc(/C(C#N)=C\c3cccs3)n2)cc1)S(C)(=O)=O	ZINC000587923036	HJ	Annotated	Reactive	
CCN(c1ccc(-c2csc(/C(C#N)=C/c3cccs3)n2)cc1)S(C)(=O)=O	ZINC000587923040	HJ	Annotated	Reactive	
CN(c1ccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1)S(C)(=O)=O	ZINC000587923391	HJ	Annotated	Anodyne	
CCN(c1ccc(-c2csc(Cc3ccc(F)cc3Cl)n2)cc1)S(C)(=O)=O	ZINC000587923521	HJ	Annotated	Anodyne	
CCCc1cc(-c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)ccn1	ZINC000587923536	HJ	Annotated	Anodyne	
CN(c1ccc(-c2csc(-c3ccccc3C(F)(F)F)n2)cc1)S(C)(=O)=O	ZINC000587923545	HJ	Annotated	Anodyne	
CCN(c1ccc(-c2csc(Cc3ccccc3Cl)n2)cc1)S(C)(=O)=O	ZINC000587923575	HJ	Annotated	Anodyne	
CCN(c1ccc(-c2csc(Cc3cc(C)ccc3C)n2)cc1)S(C)(=O)=O	ZINC000587923576	HJ	Annotated	Anodyne	
CS(=O)(=O)Nc1ccc(-c2csc(Cc3ccccc3Br)n2)cc1	ZINC000587923604	HJ	Annotated	Anodyne	
CN(c1ccc(-c2csc(C34CC5CC(CC(C5)C3)C4)n2)cc1)S(C)(=O)=O	ZINC000587923632	HJ	Annotated	Anodyne	
CCN(c1ccc(-c2csc(CCNc3ccc(C)cc3)n2)cc1)S(C)(=O)=O	ZINC000587923655	HJ	Annotated	Anodyne	
CCN(c1ccc(-c2csc(-c3ccnc4ccccc34)n2)cc1)S(C)(=O)=O	ZINC000587923657	HJ	Annotated	Anodyne	
CN(c1ccc(-c2csc(-c3ccccc3Br)n2)cc1)S(C)(=O)=O	ZINC000587923669	HJ	Annotated	Anodyne	
CN(c1ccc(-c2csc(Cc3ccc(F)cc3Cl)n2)cc1)S(C)(=O)=O	ZINC000587923671	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1	ZINC000587923685	HJ	Annotated	Clean	
CS(=O)(=O)Nc1ccc(-c2csc(/C(C#N)=C/C=C/c3ccccc3)n2)cc1	ZINC000587923791	HJ	Annotated	Reactive	
CS(=O)(=O)Nc1ccc(-c2csc(/C(C#N)=C/C=C\c3ccccc3)n2)cc1	ZINC000587923792	HJ	Annotated	Reactive	
CN(c1ccc(-c2csc(/C(C#N)=C/C=C/c3ccccc3)n2)cc1)S(C)(=O)=O	ZINC000587923822	HJ	Annotated	Reactive	
CN(c1ccc(-c2csc(/C(C#N)=C/C=C\c3ccccc3)n2)cc1)S(C)(=O)=O	ZINC000587923825	HJ	Annotated	Reactive	
CN(c1ccc(-c2csc(-c3ccc(OCC4CC4)cc3)n2)cc1)S(C)(=O)=O	ZINC000587923978	HJ	Annotated	Anodyne	
CN(c1ccc(-c2csc(-c3cccc(-n4cccc4)c3)n2)cc1)S(C)(=O)=O	ZINC000587923989	HJ	Annotated	Anodyne	
CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(OC4CCC4)cc3)n2)cc1	ZINC000587924171	HJ	Annotated	Anodyne	
C=C1NNC(=O)C(c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)=C1C	ZINC000587924199	HJ	Annotated	Clean	
CCN(CC)c1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1	ZINC000587924209	HJ	Annotated	Clean	
CS(=O)(=O)Nc1ccc(-c2csc(-c3ccccc3Br)n2)cc1	ZINC000587924239	HJ	Annotated	Anodyne	
Cc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c(Br)c1	ZINC000587924342	HJ	Annotated	Anodyne	
Cc1cc(Br)ccc1-c1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1	ZINC000587924366	HJ	Annotated	Anodyne	
CSc1cccc(-n2c(C)cc(-c3csc(CCN4CCOC4=O)n3)c2C)c1	ZINC000587924459	HJ	Annotated	Clean	
COc1cc(C2(c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)CC2)ccc1C	ZINC000587924733	HJ	Annotated	Bother	
COc1ccc(OC)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1OC	ZINC000587924835	HJ	Annotated	Anodyne	
COc1ccc(-c2cc3c(n2-c2cc(O)cc(C(=O)O)c2)CC(C)(C)CC3=O)cc1	ZINC000587924961	HJ	Annotated	Clean	
COc1ccc(CCCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1OC	ZINC000587925018	HJ	Annotated	Anodyne	
COc1ccc(CCCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1OC	ZINC000587925162	HJ	Annotated	Anodyne	
COc1ccc(C[C@@H](C)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1OC	ZINC000587925267	HJ	Annotated	Anodyne	
COc1ccc(C[C@H](C)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1OC	ZINC000587925268	HJ	Annotated	Anodyne	
CC[C@H](c1ccc(OC)c(OC)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587925397	HJ	Annotated	Anodyne	
CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587925399	HJ	Annotated	Anodyne	
COc1ccc(Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1OC	ZINC000587925462	HJ	Annotated	Anodyne	
CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	ZINC000587925471	HJ	Annotated	Anodyne	
CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	ZINC000587925472	HJ	Annotated	Anodyne	
COc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c(O)c2)cc1OC	ZINC000587925513	HJ	Annotated	Anodyne	
COc1ccc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1OC	ZINC000587925581	HJ	Annotated	Anodyne	
COc1ccc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1OC	ZINC000587925623	HJ	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(-c3ccc(-c4ccc(OC)c(OC)c4)cc3O)nc2c1	ZINC000587925715	HJ	Annotated	Anodyne	
COc1ccc(CCCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1OC	ZINC000587925750	HJ	Annotated	Anodyne	
COc1cc(C2(c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)CC2)ccc1C	ZINC000587925757	HJ	Annotated	Bother	
COc1ccc(C[C@H](C)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1OC	ZINC000587925800	HJ	Annotated	Anodyne	
COc1ccc(C[C@@H](C)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1OC	ZINC000587925807	HJ	Annotated	Anodyne	
COc1ccc(C[C@@H](C)c2nc3c(Br)cnc(Cl)c3[nH]2)cc1OC	ZINC000587926124	HJ	Annotated	Anodyne	
COc1ccc(C[C@H](C)c2nc3c(Br)cnc(Cl)c3[nH]2)cc1OC	ZINC000587926125	HJ	Annotated	Anodyne	
COc1ccc(CCCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1OC	ZINC000587926266	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c(C3(c4ccc(C)c(OC)c4)CC3)nc2c1	ZINC000587926291	HJ	Annotated	Anodyne	
COc1ccc(C[C@@H](C)c2nc3cc(C#N)cc(Br)c3[nH]2)cc1OC	ZINC000587926673	HJ	Annotated	Mild	
COc1ccc(C[C@H](C)c2nc3cc(C#N)cc(Br)c3[nH]2)cc1OC	ZINC000587926676	HJ	Annotated	Mild	
COc1ccc(C[C@H](C)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1OC	ZINC000587926733	HJ	Annotated	Bother	
COc1ccc(C[C@@H](C)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1OC	ZINC000587926734	HJ	Annotated	Bother	
COc1ccc(C[C@H](C)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1OC	ZINC000587926885	HJ	Annotated	Bother	
COc1ccc(C[C@@H](C)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1OC	ZINC000587926887	HJ	Annotated	Bother	
CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	ZINC000587926988	HJ	Annotated	Bother	
CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	ZINC000587926989	HJ	Annotated	Bother	
COc1cc(C2(c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)CC2)ccc1C	ZINC000587927035	HJ	Annotated	Clean	
COc1cc(C2(c3nc4cccc(I)c4[nH]3)CC2)ccc1C	ZINC000587927151	HJ	Annotated	Anodyne	
COc1ccc(-c2ccc(-c3nc4cc(Cl)nc(C#N)c4[nH]3)c(O)c2)cc1OC	ZINC000587927217	HJ	Annotated	Mild	
CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	ZINC000587927311	HJ	Annotated	Bother	
CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	ZINC000587927312	HJ	Annotated	Bother	
COc1ccc(Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1OC	ZINC000587927345	HJ	Annotated	Anodyne	
COc1ccc(C[C@H](C)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1OC	ZINC000587927511	HJ	Annotated	Anodyne	
COc1ccc(C[C@@H](C)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1OC	ZINC000587927513	HJ	Annotated	Anodyne	
COc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c(O)c2)cc1OC	ZINC000587927540	HJ	Annotated	Anodyne	
COc1ccc(C[C@@H](C)c2nc3cccc(I)c3[nH]2)cc1OC	ZINC000587927683	HJ	Annotated	Anodyne	
COc1ccc(C[C@H](C)c2nc3cccc(I)c3[nH]2)cc1OC	ZINC000587927684	HJ	Annotated	Anodyne	
COc1ccc(CCCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1OC	ZINC000587927691	HJ	Annotated	Anodyne	
COc1ccc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1OC	ZINC000587927715	HJ	Annotated	Anodyne	
CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587927731	HJ	Annotated	Anodyne	
CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587927732	HJ	Annotated	Anodyne	
CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(C#N)cc(Br)c2[nH]1	ZINC000587927790	HJ	Annotated	Mild	
CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(C#N)cc(Br)c2[nH]1	ZINC000587927795	HJ	Annotated	Mild	
COc1ccc(C[C@@H](C)c2nc3c(Cl)c(Br)cnc3[nH]2)cc1OC	ZINC000587927909	HJ	Annotated	Anodyne	
COc1ccc(C[C@H](C)c2nc3c(Cl)c(Br)cnc3[nH]2)cc1OC	ZINC000587927910	HJ	Annotated	Anodyne	
COc1cc(C2(c3nc4ccc(I)cc4[nH]3)CC2)ccc1C	ZINC000587928060	HJ	Annotated	Anodyne	
COc1ccc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1OC	ZINC000587928222	HJ	Annotated	Anodyne	
CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cccc(I)c2[nH]1	ZINC000587928250	HJ	Annotated	Anodyne	
CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cccc(I)c2[nH]1	ZINC000587928251	HJ	Annotated	Anodyne	
COc1ccc(-c2ccc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2)cc1OC	ZINC000587928355	HJ	Annotated	Anodyne	
COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2C)c(OC)c1	ZINC000587928457	HJ	Annotated	Anodyne	
COc1ccc(CCCc2nc3c(Br)cnc(Cl)c3[nH]2)c(OC)c1	ZINC000587928527	HJ	Annotated	Anodyne	
COc1ccc(CCCc2nc3c(Cl)c(Br)cnc3[nH]2)c(OC)c1	ZINC000587928538	HJ	Annotated	Anodyne	
COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(I)cc2[nH]1	ZINC000587928836	HJ	Annotated	Anodyne	
COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(I)cc2[nH]1	ZINC000587928838	HJ	Annotated	Anodyne	
COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(I)cc2[nH]1	ZINC000587928839	HJ	Annotated	Anodyne	
COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(I)cc2[nH]1	ZINC000587928840	HJ	Annotated	Anodyne	
COc1ccccc1CC(=O)c1nc2c(Br)ccc(Br)c2[nH]1	ZINC000587928937	HJ	Annotated	Anodyne	
COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	ZINC000587928948	HJ	Annotated	Bother	
COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	ZINC000587928950	HJ	Annotated	Bother	
COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	ZINC000587928951	HJ	Annotated	Bother	
COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	ZINC000587928953	HJ	Annotated	Bother	
COc1ccc(-c2cccc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c2C)c(OC)c1	ZINC000587928999	HJ	Annotated	Anodyne	
COc1ccc(-c2cccc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c2C)c(OC)c1	ZINC000587929000	HJ	Annotated	Anodyne	
COc1ccc(-c2cccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2C)c(OC)c1	ZINC000587929009	HJ	Annotated	Anodyne	
COc1ccc(CCCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(OC)c1	ZINC000587929128	HJ	Annotated	Anodyne	
COc1ccccc1CC(=O)c1nc2cc(Br)c(OC(C)C)cc2[nH]1	ZINC000587929164	HJ	Annotated	Anodyne	
COc1ccccc1CC(=O)c1nc2cc(Br)c(Br)cc2[nH]1	ZINC000587929179	HJ	Annotated	Anodyne	
COc1ccc(CCCc2nc3cc(Br)c(F)c(F)c3[nH]2)c(OC)c1	ZINC000587929244	HJ	Annotated	Anodyne	
COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	ZINC000587929249	HJ	Annotated	Bother	
COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	ZINC000587929250	HJ	Annotated	Bother	
COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	ZINC000587929251	HJ	Annotated	Bother	
COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	ZINC000587929252	HJ	Annotated	Bother	
COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@]3(C)c3ccccc3OC)nc2c1	ZINC000587929391	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@]3(C)c3ccccc3OC)nc2c1	ZINC000587929392	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@]3(C)c3ccccc3OC)nc2c1	ZINC000587929393	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@]3(C)c3ccccc3OC)nc2c1	ZINC000587929394	HJ	Annotated	Anodyne	
COc1ccc(CCCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(OC)c1	ZINC000587929499	HJ	Annotated	Anodyne	
COc1ccc(/C=C\Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(OC)c1	ZINC000587929748	HJ	Annotated	Bother	
COc1ccc(/C=C/Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(OC)c1	ZINC000587929749	HJ	Annotated	Bother	
CCCOc1cc2[nH]c(C(=O)Cc3ccccc3OC)nc2cc1Br	ZINC000587929793	HJ	Annotated	Anodyne	
COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000587929811	HJ	Annotated	Clean	
COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000587929812	HJ	Annotated	Clean	
COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000587929813	HJ	Annotated	Clean	
COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000587929814	HJ	Annotated	Clean	
CCCCOc1cc2[nH]c(C(=O)Cc3ccccc3OC)nc2cc1Br	ZINC000587929831	HJ	Annotated	Anodyne	
COc1ccccc1-c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1	ZINC000587930053	HJ	Annotated	Anodyne	
COc1ccc(-c2cccc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c2C)c(OC)c1	ZINC000587930132	HJ	Annotated	Anodyne	
COc1ccc(-c2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2C)c(OC)c1	ZINC000587930201	HJ	Annotated	Anodyne	
COc1ccccc1CC(=O)c1nc2cc(Br)c(OCC(C)C)cc2[nH]1	ZINC000587930332	HJ	Annotated	Anodyne	
COc1ccccc1CC(=O)c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1	ZINC000587930333	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H](C)c3cccc(OC)c3)nc2c1	ZINC000587930427	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(C[C@H](C)c3cccc(OC)c3)nc2c1	ZINC000587930430	HJ	Annotated	Anodyne	
COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cccc(I)c2[nH]1	ZINC000587930656	HJ	Annotated	Anodyne	
COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cccc(I)c2[nH]1	ZINC000587930658	HJ	Annotated	Anodyne	
COc1ccccc1[C@]1(C)C[C@H]1c1nc2cccc(I)c2[nH]1	ZINC000587930660	HJ	Annotated	Anodyne	
COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cccc(I)c2[nH]1	ZINC000587930663	HJ	Annotated	Anodyne	
COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2C)c(OC)c1	ZINC000587930692	HJ	Annotated	Anodyne	
COc1cccc(C2(c3nc4cc(Br)cc(C(=O)O)c4[nH]3)CCCC2)c1	ZINC000587930705	HJ	Annotated	Anodyne	
COc1cccc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1	ZINC000587930994	HJ	Annotated	Anodyne	
COc1cccc(CCc2nc3c(Br)ccc(Br)c3[nH]2)c1	ZINC000587931269	HJ	Annotated	Anodyne	
COc1ccccc1CC(=O)c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1	ZINC000587931358	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(-c3cc(O)cc(-c4cccc(OC)c4)c3)[nH]c2c1	ZINC000587931588	HJ	Annotated	Anodyne	
COc1cccc(C2(c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)CCCC2)c1	ZINC000587931879	HJ	Annotated	Anodyne	
COc1ccccc1CC(=O)c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1	ZINC000587931880	HJ	Annotated	Anodyne	
COc1cc(O)cc(-c2cccc(-c3nc4c(F)cnc(Br)c4[nH]3)c2)c1	ZINC000587932100	HJ	Annotated	Anodyne	
COc1cc(O)cc(-c2cccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)c1	ZINC000587932120	HJ	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(-c3cccc(-c4cc(O)cc(OC)c4)c3)[nH]c2c1	ZINC000587932152	HJ	Annotated	Anodyne	
COc1cccc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1	ZINC000587932292	HJ	Annotated	Anodyne	
COC(=O)c1cc2nc(Cc3cccc(OC)c3)[nH]c2c(F)c1Nc1ccccc1	ZINC000587932517	HJ	Annotated	Anodyne	
COc1ccccc1CC(=O)c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1	ZINC000587932643	HJ	Annotated	Anodyne	
COc1ccc(-c2cccc(-c3nc4c(S)nc(S)nc4[nH]3)c2C)c(OC)c1	ZINC000587932659	HJ	Annotated	Anodyne	
COc1cccc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1	ZINC000587933009	HJ	Annotated	Anodyne	
COc1cccc(-c2cc(O)cc(-c3nc4c(F)cnc(Br)c4[nH]3)c2)c1	ZINC000587933665	HJ	Annotated	Anodyne	
COc1cccc(-c2cc(O)cc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)c1	ZINC000587933831	HJ	Annotated	Anodyne	
COc1cc(C)c(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N	ZINC000587934039	HJ	Annotated	Mild	
COc1ccc([C@H](c2ccccc2)c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1	ZINC000587934161	HJ	Annotated	Anodyne	
COc1ccc([C@@H](c2ccccc2)c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1	ZINC000587934164	HJ	Annotated	Anodyne	
COc1c(C)cc(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N	ZINC000587934185	HJ	Annotated	Mild	
COc1ccc2c(c1)CCC=C2Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	ZINC000587934273	HJ	Annotated	Bother	
Nc1cccc(Br)c1-n1c(O)cc(-c2ccc(Br)cc2)c1O	ZINC000587934453	HJ	Annotated	Anodyne	
CCOc1ccc(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N	ZINC000587934582	HJ	Annotated	Mild	
COc1ccc2c(c1)CCC=C2Cc1nc2cccc(I)c2[nH]1	ZINC000587934758	HJ	Annotated	Anodyne	
COc1ccc2c(c1)CCC=C2Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1	ZINC000587934808	HJ	Annotated	Anodyne	
COc1ccc2c(c1)CCC=C2Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000587934810	HJ	Annotated	Clean	
COC(=O)c1cc2[nH]c(C3(c4ccc(OC)cc4)CC4(CCC4)C3)nc2cc1OC	ZINC000587934832	HJ	Annotated	Anodyne	
COc1ccc(-c2cccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)cc1	ZINC000587934981	HJ	Annotated	Anodyne	
Cc1c(C)c(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O	ZINC000587935087	HJ	Annotated	Mild	
COc1ccc(OC)n1-c1c(Br)cc(Br)c(Cl)c1C#N	ZINC000587935121	HJ	Annotated	Mild	
COc1ccc2c(c1)C[C@H](c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)CC2	ZINC000587935227	HJ	Annotated	Bother	
COc1ccc2c(c1)C[C@@H](c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)CC2	ZINC000587935228	HJ	Annotated	Bother	
COc1ccc2c(c1)CCC=C2Cc1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000587935254	HJ	Annotated	Anodyne	
COc1ccc2cc([C@@H](C)c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)ccc2c1	ZINC000587935256	HJ	Annotated	Anodyne	
COc1ccc2c(c1)CCC=C2Cc1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587935285	HJ	Annotated	Anodyne	
C=C(C)C(=O)OCCOc1ccc(O)n1-c1ccc(CCCC)cc1Br	ZINC000587935342	HJ	Annotated	Mild	
Nc1c(Br)cccc1-n1c(O)cc(-c2cccc(Br)c2)c1O	ZINC000587935538	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2)c(OC)n1-c1cccc(Br)c1[N+](=O)[O-]	ZINC000587935556	HJ	Annotated	Bother	
COc1ccc(C2(c3nc4ccc(OCCN(C)C)cc4[nH]3)CC3(CCC3)C2)cc1	ZINC000587935585	HJ	Annotated	Anodyne	
Cc1cc(OC(C)(C)C)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O	ZINC000587935588	HJ	Annotated	Anodyne	
Cn1cc(-c2cccc(Br)c2-n2c(O)cc(-c3ccccc3)c2O)cn1	ZINC000587935645	HJ	Annotated	Anodyne	
C=CCOc1ccc(OCC=C)n1-c1c(Br)cccc1-c1cnn(C)c1	ZINC000587935656	HJ	Annotated	Mild	
Nc1c(Br)cccc1-n1c(O)cc(-c2ccccc2Br)c1O	ZINC000587935679	HJ	Annotated	Anodyne	
Nc1cccc(Br)c1-n1c(O)cc(-c2ccccc2Br)c1O	ZINC000587935731	HJ	Annotated	Anodyne	
O=[N+]([O-])c1c(Br)cccc1-n1c(O)ccc1OCCCc1ccccc1	ZINC000587935777	HJ	Annotated	Bother	
CCCOc1cc2nc([C@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2cc1Br	ZINC000587935819	HJ	Annotated	Anodyne	
CCCOc1cc2nc([C@@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2cc1Br	ZINC000587935820	HJ	Annotated	Anodyne	
CCCOc1cc2nc([C@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2cc1Br	ZINC000587935821	HJ	Annotated	Anodyne	
CCCOc1cc2nc([C@@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2cc1Br	ZINC000587935822	HJ	Annotated	Anodyne	
COc1ccc2c(c1)CCC=C2Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	ZINC000587935940	HJ	Annotated	Bother	
COc1ccc2c(c1)C[C@H](c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)CC2	ZINC000587935988	HJ	Annotated	Bother	
COc1ccc2c(c1)C[C@@H](c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)CC2	ZINC000587935989	HJ	Annotated	Bother	
CCOC(=O)Cc1ccc2nc(C3(c4ccc(OC)cc4)CC4(CCC4)C3)[nH]c2c1	ZINC000587936050	HJ	Annotated	Anodyne	
COc1ccc(C2(c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)CC3(CCC3)C2)cc1	ZINC000587936139	HJ	Annotated	Bother	
O=C(O)CCc1ccc(-c2cccs2)n1-c1cccc(Br)c1[N+](=O)[O-]	ZINC000587936181	HJ	Annotated	Clean	
COC(=O)c1cc(-n2c(OC)ccc2OC(C)(C)C)c(Cl)cc1Br	ZINC000587936187	HJ	Annotated	Anodyne	
COc1ccc2cc([C@@H](C)c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)ccc2c1	ZINC000587936205	HJ	Annotated	Anodyne	
COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1	ZINC000587936333	HJ	Annotated	Anodyne	
COc1ccc([C@@H](O)[C@H](C)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1	ZINC000587936337	HJ	Annotated	Anodyne	
COc1ccc([C@H](O)[C@@H](C)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1	ZINC000587936338	HJ	Annotated	Anodyne	
COc1ccc([C@H](O)[C@H](C)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1	ZINC000587936339	HJ	Annotated	Anodyne	
Nc1c(Br)cccc1-n1c(O)cc(-c2ccc(Br)cc2)c1O	ZINC000587936351	HJ	Annotated	Anodyne	
O=C(O)CCc1ccc(-c2ccccc2)n1-c1cccc(Br)c1[N+](=O)[O-]	ZINC000587936485	HJ	Annotated	Clean	
Cn1cc(-c2cccc(Br)c2-n2c(O)ccc2OCc2ccccc2)cn1	ZINC000587936522	HJ	Annotated	Anodyne	
COc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(C3=NC(C)(C)CO3)c2)cc1	ZINC000587936524	HJ	Annotated	Clean	
COC(=O)c1ccc2nc(C3(c4ccc(OC)cc4)CC4(CCC4)C3)[nH]c2c1OC	ZINC000587936598	HJ	Annotated	Anodyne	
COc1ccc(C2(c3nc4ccc(CN5CCOCC5)cc4[nH]3)CC3(CCC3)C2)cc1	ZINC000587936644	HJ	Annotated	Anodyne	
COc1ccc(OC(C)(C)C)n1-c1c(Br)cccc1-c1cnn(C)c1	ZINC000587936701	HJ	Annotated	Anodyne	
Cn1cc(-c2cccc(Br)c2-n2c(O)cc(Cc3ccccc3)c2O)cn1	ZINC000587936710	HJ	Annotated	Anodyne	
COc1ccc(C2(c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)CC3(CCC3)C2)cc1	ZINC000587936766	HJ	Annotated	Anodyne	
Nc1cccc(Br)c1-n1c(O)cc(-c2cccc(Br)c2)c1O	ZINC000587936795	HJ	Annotated	Anodyne	
COC(=O)c1cc(-n2c(O)cc(-c3ccccc3)c2O)c(Cl)cc1Br	ZINC000587936820	HJ	Annotated	Anodyne	
O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2ccc(Cl)cc2)c1O	ZINC000587937054	HJ	Annotated	Bother	
COc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(Br)c2N)cc1	ZINC000587937092	HJ	Annotated	Clean	
O=C(O)c1cccc(-c2cccc(-n3c(O)cc(-c4ccccc4Cl)c3O)c2)n1	ZINC000587937306	HJ	Annotated	Anodyne	
Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(Br)c2N)s1	ZINC000587937653	HJ	Annotated	Clean	
COC(=O)c1cc(-n2c(O)ccc2OC(C)(C)C)c(Cl)cc1Br	ZINC000587937654	HJ	Annotated	Anodyne	
O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2cccc(Cl)c2)c1O	ZINC000587937693	HJ	Annotated	Bother	
Cc1ccc(-c2ccc(CCC(=O)O)n2-c2c(N)cccc2Br)s1	ZINC000587937710	HJ	Annotated	Clean	
O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2ccccc2Cl)c1O	ZINC000587937794	HJ	Annotated	Bother	
COC(=O)c1cc(-n2c(OC(C)(C)C)cc(C)c2O)c(Cl)cc1Br	ZINC000587937828	HJ	Annotated	Anodyne	
COc1ccc(-c2ccc(CCC(=O)O)n2-c2c(N)cccc2Br)cc1	ZINC000587937863	HJ	Annotated	Clean	
COc1ccc([C@H](c2ccccc2)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1	ZINC000587938115	HJ	Annotated	Bother	
COc1ccc([C@@H](c2ccccc2)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1	ZINC000587938116	HJ	Annotated	Bother	
O=C(O)CCc1ccc(-c2cccs2)n1-c1cccc(-c2cccc(C(=O)O)n2)c1	ZINC000587938220	HJ	Annotated	Clean	
COc1cc(-c2ccccc2)c(OC)n1-c1cccc(-c2cccc(C(=O)O)n2)c1	ZINC000587938224	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2c1OC	ZINC000587938340	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2c1OC	ZINC000587938341	HJ	Annotated	Anodyne	
COc1c(Cc2ccccc2)cc(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1	ZINC000587938416	HJ	Annotated	Anodyne	
O=C(O)c1cccc(-c2cccc(-n3c(O)cc(-c4cccc(Cl)c4)c3O)c2)n1	ZINC000587938538	HJ	Annotated	Anodyne	
COC(=O)c1cc2[nH]c([C@H](c3ccccc3)c3ccc(OC)cc3)nc2cc1OC	ZINC000587938678	HJ	Annotated	Anodyne	
COC(=O)c1cc2[nH]c([C@@H](c3ccccc3)c3ccc(OC)cc3)nc2cc1OC	ZINC000587938679	HJ	Annotated	Anodyne	
COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1	ZINC000587938680	HJ	Annotated	Anodyne	
COc1ccc([C@@H](O)[C@H](C)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1	ZINC000587938681	HJ	Annotated	Anodyne	
COc1ccc([C@H](O)[C@@H](C)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1	ZINC000587938682	HJ	Annotated	Anodyne	
COc1ccc([C@H](O)[C@H](C)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1	ZINC000587938683	HJ	Annotated	Anodyne	
Cc1ccccc1-c1cc(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O	ZINC000587938834	HJ	Annotated	Anodyne	
Cc1ccccc1-c1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O	ZINC000587938835	HJ	Annotated	Anodyne	
COc1cccc(-c2cc(O)n(-c3cnc4cc(Br)ccc4c3)c2O)c1	ZINC000587938839	HJ	Annotated	Anodyne	
CCOc1cc(C(C)=O)c(OCC)n1C[C@H](c1cccc(Br)c1)N(C)C	ZINC000587938890	HJ	Annotated	Anodyne	
CCOc1cc(C(C)=O)c(OCC)n1C[C@@H](c1cccc(Br)c1)N(C)C	ZINC000587938891	HJ	Annotated	Anodyne	
C=CCOc1ccc(OCC=C)n1-c1cc(Br)cnc1Br	ZINC000587938997	HJ	Annotated	Mild	
CN(C)[C@H](Cn1c(O)cc(-c2ccccc2)c1O)c1cccc(Br)c1	ZINC000587939027	HJ	Annotated	Anodyne	
CN(C)[C@@H](Cn1c(O)cc(-c2ccccc2)c1O)c1cccc(Br)c1	ZINC000587939028	HJ	Annotated	Anodyne	
Cc1cc2c(n1-c1cc(Br)cnc1Br)CC(C)(C)CC2=O	ZINC000587939060	HJ	Annotated	Anodyne	
Cc1ccccc1-c1cc(O)n(-c2cc(Br)cnc2Br)c1O	ZINC000587939137	HJ	Annotated	Anodyne	
O=C(O)CCc1ccc(-c2cccs2)n1NCc1ccccc1Br	ZINC000587939476	HJ	Annotated	Anodyne	
Oc1cc(C2CCCCC2)c(O)n1-c1cc(Br)cnc1Br	ZINC000587939515	HJ	Annotated	Anodyne	
C=CCOc1ccc(OCC=C)n1C[C@H](c1cccc(Br)c1)N(C)C	ZINC000587939598	HJ	Annotated	Mild	
C=CCOc1ccc(OCC=C)n1C[C@@H](c1cccc(Br)c1)N(C)C	ZINC000587939606	HJ	Annotated	Mild	
Cc1ncc(-n2c(O)cc(-c3ccc(C(C)(C)C)cc3)c2O)nc1Br	ZINC000587939632	HJ	Annotated	Anodyne	
Oc1ccc(OCc2ccccc2)n1-c1cc(Br)cnc1Br	ZINC000587939660	HJ	Annotated	Anodyne	
CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1ccnc(CCl)n1	ZINC000587939690	HJ	Annotated	Reactive	
COc1ccc(-c2cc(O)n(-c3cnc4cc(Br)ccc4c3)c2O)cc1	ZINC000587939812	HJ	Annotated	Anodyne	
O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccnc(Br)c1	ZINC000587939924	HJ	Annotated	Anodyne	
O=[N+]([O-])c1ccc(-c2cc(O)n(-c3cc(Cl)cc(Br)c3)c2O)cc1	ZINC000587940037	HJ	Annotated	Bother	
CC(C)c1ccc(-c2cc(O)n(-c3cc(C(=O)O)ncc3Br)c2O)cc1	ZINC000587940042	HJ	Annotated	Anodyne	
CCOc1cc(-n2c(OC)cc(-c3ccccc3)c2OC)c(Cl)cc1C(=O)O	ZINC000587940142	HJ	Annotated	Anodyne	
CN(C)[C@@H](Cn1c(O)cc(Cc2ccccc2)c1O)c1cccc(Br)c1	ZINC000587940263	HJ	Annotated	Anodyne	
CN(C)[C@H](Cn1c(O)cc(Cc2ccccc2)c1O)c1cccc(Br)c1	ZINC000587940266	HJ	Annotated	Anodyne	
COc1cc(C#N)c(OC)n1-c1ccc(Br)cc1OCc1ccccc1	ZINC000587940384	HJ	Annotated	Mild	
Oc1cc(-c2ccccc2Cl)c(O)n1-c1cc2cnccc2c(Br)n1	ZINC000587940650	HJ	Annotated	Anodyne	
Cc1ncc(-n2c(O)cc(-c3ccc(Cl)c(Cl)c3)c2O)nc1Br	ZINC000587940722	HJ	Annotated	Anodyne	
Cc1ncc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)nc1Br	ZINC000587940729	HJ	Annotated	Anodyne	
COc1cc(-c2ccccc2)c(OC)n1-c1cc2cnccc2c(Br)n1	ZINC000587940739	HJ	Annotated	Anodyne	
CCOc1cc(-n2c(CCC(=O)O)ccc2-c2cccs2)c(Cl)cc1C(=O)O	ZINC000587940782	HJ	Annotated	Clean	
CCOc1cc(-n2c(O)ccc2OCCc2ccccc2)c(Cl)cc1C(=O)O	ZINC000587940785	HJ	Annotated	Anodyne	
CN(C)[C@H](Cn1c(O)cc(-c2ccccc2F)c1O)c1cccc(Br)c1	ZINC000587940948	HJ	Annotated	Anodyne	
CN(C)[C@@H](Cn1c(O)cc(-c2ccccc2F)c1O)c1cccc(Br)c1	ZINC000587940949	HJ	Annotated	Anodyne	
CCOc1cc(-n2c(O)cc(-c3ccccc3Cl)c2O)c(Cl)cc1C(=O)O	ZINC000587940986	HJ	Annotated	Anodyne	
Cc1cc(OC(C)(C)C)n(-c2cc(Br)cnc2Br)c1O	ZINC000587941055	HJ	Annotated	Anodyne	
Oc1ccc(OCCCc2ccccc2)n1NCc1ccccc1Br	ZINC000587941123	HJ	Annotated	Anodyne	
CN(C)[C@H](Cn1c(O)cc(-c2ccc(F)cc2)c1O)c1cccc(Br)c1	ZINC000587941281	HJ	Annotated	Anodyne	
CN(C)[C@@H](Cn1c(O)cc(-c2ccc(F)cc2)c1O)c1cccc(Br)c1	ZINC000587941282	HJ	Annotated	Anodyne	
CCOc1cc(CC(C)=O)c(OCC)n1-c1cnc2cc(Br)ccc2c1	ZINC000587941313	HJ	Annotated	Anodyne	
Cc1ccc(-c2cc(O)n(-c3cc(Br)cnc3Br)c2O)cc1	ZINC000587941359	HJ	Annotated	Anodyne	
CC(C)Oc1ccc(OC(C)C)n1-c1cc(Br)cnc1Br	ZINC000587941436	HJ	Annotated	Anodyne	
COc1c(Cc2cccc3ccccc23)cc(O)n1-c1cnc(C)c(Br)n1	ZINC000587941477	HJ	Annotated	Anodyne	
Oc1cc(-c2ccc(Cl)cc2)c(O)n1-c1cc2cnccc2c(Br)n1	ZINC000587941488	HJ	Annotated	Anodyne	
CCOc1cc(-n2c(O)ccc2OCCCc2ccccc2)c(Cl)cc1C(=O)O	ZINC000587941503	HJ	Annotated	Anodyne	
CCOc1cc(CC(C)=O)c(OCC)n1-c1cc(Cl)cc(Br)c1	ZINC000587941543	HJ	Annotated	Anodyne	
COc1ccc(OC(C)(C)C)n1-c1cc(Br)cnc1Br	ZINC000587941550	HJ	Annotated	Anodyne	
Cc1ncc(-n2c(O)cc(-c3ccc(Cl)cc3Cl)c2O)nc1Br	ZINC000587941571	HJ	Annotated	Anodyne	
Cc1ncc(-n2c(O)ccc2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)nc1Br	ZINC000587941749	HJ	Annotated	Anodyne	
Cc1ncc(-n2c(OC(C)(C)C)cc(Cc3ccccc3)c2O)nc1Br	ZINC000587941773	HJ	Annotated	Anodyne	
Oc1ccc(OCCc2ccccc2)n1-c1cc2cnccc2c(Br)n1	ZINC000587941777	HJ	Annotated	Anodyne	
CN(C)[C@H](Cn1c(O)cc(-c2cccc(F)c2)c1O)c1cccc(Br)c1	ZINC000587941812	HJ	Annotated	Anodyne	
CN(C)[C@@H](Cn1c(O)cc(-c2cccc(F)c2)c1O)c1cccc(Br)c1	ZINC000587941813	HJ	Annotated	Anodyne	
Cc1ccc(-c2cc(O)n(C[C@@H](c3cccc(Br)c3)N(C)C)c2O)cc1	ZINC000587941840	HJ	Annotated	Anodyne	
Cc1ccc(-c2cc(O)n(C[C@H](c3cccc(Br)c3)N(C)C)c2O)cc1	ZINC000587941841	HJ	Annotated	Anodyne	
Cc1ncc(-n2c(O)cc(-c3c(Cl)cccc3Cl)c2O)nc1Br	ZINC000587941880	HJ	Annotated	Anodyne	
CN(C)[C@@H](Cn1c(O)ccc1OCc1ccccc1)c1cccc(Br)c1	ZINC000587941905	HJ	Annotated	Anodyne	
CN(C)[C@H](Cn1c(O)ccc1OCc1ccccc1)c1cccc(Br)c1	ZINC000587941907	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(OCC)n(-c2cc(Cl)cc(Br)c2)c1OCC	ZINC000587942083	HJ	Annotated	Anodyne	
CCOc1cc(-n2c(O)cc(Cc3ccccc3)c2OC)c(Cl)cc1C(=O)O	ZINC000587942085	HJ	Annotated	Anodyne	
COc1ccccc1-c1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O	ZINC000587942096	HJ	Annotated	Anodyne	
O=C(O)Cc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O	ZINC000587942140	HJ	Annotated	Anodyne	
CCOc1cc(C(C)=O)c(OCC)n1-c1cnc2cc(Br)ccc2c1	ZINC000587942154	HJ	Annotated	Anodyne	
CCOc1cc(-n2c(O)cc(-c3cccc(Cl)c3)c2O)c(Cl)cc1C(=O)O	ZINC000587942213	HJ	Annotated	Anodyne	
Cc1ncc(-n2c(OC(C)(C)C)cc(-c3ccccc3)c2O)nc1Br	ZINC000587942228	HJ	Annotated	Anodyne	
Oc1cc(-c2cccc(Cl)c2)c(O)n1-c1cc2cnccc2c(Br)n1	ZINC000587942387	HJ	Annotated	Anodyne	
O=C(O)CCc1ccc(-c2ccccc2)n1-c1cc2cnccc2c(Br)n1	ZINC000587942440	HJ	Annotated	Clean	
Oc1ccc(OCCCc2ccccc2)n1-c1cc2cnccc2c(Br)n1	ZINC000587942457	HJ	Annotated	Anodyne	
CCOc1cc(-n2c(O)cc(-c3ccc(Cl)cc3)c2O)c(Cl)cc1C(=O)O	ZINC000587942487	HJ	Annotated	Anodyne	
COC(=O)c1cc(OC)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1OC	ZINC000587942495	HJ	Annotated	Anodyne	
C=C(C)C(=O)OCCOc1ccc(O)n1CCOc1cc(C)c(Cl)cc1C(C)C	ZINC000587943113	HJ	Annotated	Mild	
C=C(C)C(=O)OCCOc1ccc(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl	ZINC000587943258	HJ	Annotated	Mild	
Cc1cc(OC(C)(C)C)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O	ZINC000587943284	HJ	Annotated	Bother	
COc1ccc(OC(C)(C)C)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C	ZINC000587943393	HJ	Annotated	Bother	
CCOc1ccc(OCC)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F	ZINC000587943481	HJ	Annotated	Anodyne	
O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)cc(-c3ccco3)c2O)c1F	ZINC000587943555	HJ	Annotated	Anodyne	
O=[N+]([O-])c1ccc(-c2cc(O)n(-c3cc(F)c(Br)cc3F)c2O)cc1	ZINC000587943578	HJ	Annotated	Bother	
C=CCOc1ccc(OCC=C)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C	ZINC000587943597	HJ	Annotated	Mild	
Cc1ccc(-c2cc(O)n(-c3c([N+](=O)[O-])cc(Br)c(F)c3C)c2O)cc1	ZINC000587943699	HJ	Annotated	Bother	
Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(Cc2ccccc2)c1O	ZINC000587943704	HJ	Annotated	Bother	
Cc1ccccc1-c1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O	ZINC000587943808	HJ	Annotated	Bother	
CC(C)(C)Oc1ccc(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F	ZINC000587943882	HJ	Annotated	Anodyne	
Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)ccc1OCc1ccccc1	ZINC000587943904	HJ	Annotated	Bother	
CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(F)c(Br)cc1F	ZINC000587943979	HJ	Annotated	Bother	
CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(F)c(Br)cc1F	ZINC000587943980	HJ	Annotated	Bother	
CCOC(=O)c1cc(C)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1C	ZINC000587943989	HJ	Annotated	Clean	
Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccccc2)c1O	ZINC000587944020	HJ	Annotated	Bother	
CC(C)(C)c1ccc(-c2cc(O)n(-c3nc(N4CCCCC4)ncc3F)c2O)cc1	ZINC000587944126	HJ	Annotated	Anodyne	
CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1nc(N2CCCCC2)ncc1F	ZINC000587944201	HJ	Annotated	Anodyne	
CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)ccc2OCc2ccccc2)n1	ZINC000587944204	HJ	Annotated	Anodyne	
COC(=O)c1cc(OC)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1OC	ZINC000587944348	HJ	Annotated	Anodyne	
O=N[C@@H](COc1cc(F)cc(F)c1)n1c(CCC(=O)O)ccc1-c1cccs1	ZINC000587944445	HJ	Annotated	Clean	
O=N[C@H](COc1cc(F)cc(F)c1)n1c(CCC(=O)O)ccc1-c1cccs1	ZINC000587944449	HJ	Annotated	Clean	
CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(Cc3ccccc3)c2O)n1	ZINC000587944461	HJ	Annotated	Anodyne	
C=CCOc1c(-c2ccccc2)cc(O)n1-c1cnc(Cc2ccc(F)cc2)nc1	ZINC000587944500	HJ	Annotated	Mild	
Oc1cc(-c2ccc(F)cc2)c(O)n1-c1nn(COc2ccccc2F)cc1Cl	ZINC000587944515	HJ	Annotated	Anodyne	
Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1-c1nc(N2CCCCC2)ncc1F	ZINC000587944519	HJ	Annotated	Anodyne	
Cc1cc(-n2c(O)ccc2OCCCc2ccccc2)nn1Cc1ccccc1F	ZINC000587944735	HJ	Annotated	Anodyne	
COc1ccc(OC(C)(C)C)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1	ZINC000587944783	HJ	Annotated	Anodyne	
CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(OC(C)(C)C)cc(C)c2O)n1	ZINC000587944785	HJ	Annotated	Anodyne	
Oc1ccc(OCc2ccccc2)n1-c1nn(COc2ccccc2F)cc1Cl	ZINC000587944788	HJ	Annotated	Anodyne	
C=C(C)C(=O)OCCOc1ccc(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1	ZINC000587944854	HJ	Annotated	Mild	
CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(-c3ccccc3)c2O)n1	ZINC000587944890	HJ	Annotated	Anodyne	
O=C(O)CCc1ccc(-c2cccs2)n1-c1cnc(Cc2ccc(F)cc2)nc1	ZINC000587944978	HJ	Annotated	Anodyne	
Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1nc(N2CCCCC2)ncc1F	ZINC000587944983	HJ	Annotated	Anodyne	
CCOc1cc(C=O)c(OCC)n1Cc1nc2ccccc2n1Cc1cccc(F)c1	ZINC000587945017	HJ	Annotated	Anodyne	
Cc1ccccc1-c1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O	ZINC000587945018	HJ	Annotated	Anodyne	
Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1-c1nc(N2CCCCC2)ncc1F	ZINC000587945030	HJ	Annotated	Anodyne	
COc1ccc2c(c1)C[C@@H](c1nc3ccc4c(c3[nH]1)C(=O)c1ccccc1C4=O)CC2	ZINC000587945034	HJ	Annotated	Clean	
COc1ccc2c(c1)C[C@H](c1nc3ccc4c(c3[nH]1)C(=O)c1ccccc1C4=O)CC2	ZINC000587945036	HJ	Annotated	Clean	
Oc1cc(Cc2ccccc2)c(O)n1-c1nn(COc2ccccc2F)cc1Cl	ZINC000587945243	HJ	Annotated	Anodyne	
C=CCOc1ccc(OCC=C)n1-c1nn(COc2ccccc2F)cc1Cl	ZINC000587945275	HJ	Annotated	Mild	
Oc1cc(C2CCCCC2)c(O)n1-c1nn(COc2ccccc2F)cc1Cl	ZINC000587945334	HJ	Annotated	Anodyne	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1nc(N2CCCCC2)ncc1F	ZINC000587945568	HJ	Annotated	Anodyne	
O=N[C@H](COc1cc(F)cc(F)c1)n1c(CCC(=O)O)ccc1-c1ccccc1	ZINC000587945586	HJ	Annotated	Clean	
O=N[C@@H](COc1cc(F)cc(F)c1)n1c(CCC(=O)O)ccc1-c1ccccc1	ZINC000587945588	HJ	Annotated	Clean	
Oc1cc(-c2cccc(F)c2)c(O)n1-c1nn(COc2ccccc2F)cc1Cl	ZINC000587945668	HJ	Annotated	Anodyne	
Oc1cc(-c2ccccc2F)c(O)n1-c1nn(COc2ccccc2F)cc1Cl	ZINC000587945697	HJ	Annotated	Anodyne	
CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1n[nH]c(-c2ccccc2F)n1	ZINC000587945698	HJ	Annotated	Anodyne	
C=CCOc1ccc(OCC=C)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1	ZINC000587945705	HJ	Annotated	Mild	
CCOc1cc(C(C)=O)c(OCC)n1-c1nn(COc2ccccc2F)cc1Cl	ZINC000587945743	HJ	Annotated	Anodyne	
CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1nc(N2CCCCC2)ncc1F	ZINC000587945757	HJ	Annotated	Anodyne	
O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1n[nH]c(-c2ccccc2F)n1	ZINC000587945851	HJ	Annotated	Anodyne	
Oc1ccc(OCCCc2ccccc2)n1-c1cnc(Cc2ccc(F)cc2)nc1	ZINC000587945997	HJ	Annotated	Anodyne	
Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1n[nH]c(-c2ccccc2F)n1	ZINC000587946088	HJ	Annotated	Anodyne	
O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)ccc1OCCCc1ccccc1	ZINC000587946649	HJ	Annotated	Anodyne	
O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)ccc1OCCCc1ccccc1	ZINC000587946650	HJ	Annotated	Anodyne	
Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1-c1n[nH]c(-c2ccccc2F)n1	ZINC000587946733	HJ	Annotated	Anodyne	
Cc1ccc(-c2cc(O)n(-c3nn(COc4ccccc4F)cc3Cl)c2O)cc1	ZINC000587946758	HJ	Annotated	Anodyne	
Oc1cc(-c2ccco2)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1	ZINC000587946802	HJ	Annotated	Anodyne	
COc1c(Cc2cccc3ccccc23)cc(O)n1-c1n[nH]c(-c2ccccc2F)n1	ZINC000587946828	HJ	Annotated	Anodyne	
C=C(C)C(=O)OCCOc1ccc(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1	ZINC000587946844	HJ	Annotated	Mild	
C=C(C)C(=O)OCCOc1ccc(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1	ZINC000587946846	HJ	Annotated	Mild	
Cc1cc(-n2c(CCC(=O)O)ccc2-c2cccs2)nn1Cc1ccccc1F	ZINC000587946884	HJ	Annotated	Anodyne	
Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1-c1n[nH]c(-c2ccccc2F)n1	ZINC000587946886	HJ	Annotated	Anodyne	
Cc1cc2c(n1-c1nn(COc3ccccc3F)cc1Cl)CC(C)(C)CC2=O	ZINC000587946892	HJ	Annotated	Anodyne	
CN(C)S(=O)(=O)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1	ZINC000587949439	HJ	Annotated	Anodyne	
CN(C)S(=O)(=O)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1	ZINC000587949440	HJ	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(Br)cnc(Cl)c4[nH]1)(C3)C2	ZINC000587949640	HJ	Annotated	Anodyne	
O=[N+]([O-])c1c(Br)ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12	ZINC000587949770	HJ	Annotated	Bother	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Br)cc(F)c4[nH]1)(C3)C2	ZINC000587949774	HJ	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(F)c(Br)c4[nH]1)(C3)C2	ZINC000587949859	HJ	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Br)c(F)cc4[nH]1)(C3)C2	ZINC000587949877	HJ	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(Cl)c(Br)cnc4[nH]1)(C3)C2	ZINC000587949920	HJ	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1	ZINC000587949971	HJ	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(F)cc(Br)c4[nH]1)(C3)C2	ZINC000587949992	HJ	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(Br)c(F)c4[nH]1)(C3)C2	ZINC000587950040	HJ	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(C(=O)c5ccccc5)cc4[nH]1)(C3)C2	ZINC000587950068	HJ	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c5cccnc5c5ncccc5c4[nH]1)(C3)C2	ZINC000587950099	HJ	Annotated	Bother	
O=[N+]([O-])c1cc(Br)cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12	ZINC000587950423	HJ	Annotated	Bother	
O=C1c2ccccc2C(=O)c2c1ccc1nc(COC34CC5CC(CC(C5)C3)C4)[nH]c21	ZINC000587950492	HJ	Annotated	Clean	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C)c(Br)cc4[nH]1)(C3)C2	ZINC000587950516	HJ	Annotated	Anodyne	
CC1=C(c2ccc3nc(Cc4ccccc4Oc4ccccc4)[nH]c3c2)NNC(=O)C1	ZINC000587950531	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc2ccccc2c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	ZINC000587951016	HJ	Annotated	Anodyne	
CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12	ZINC000587951024	HJ	Annotated	Anodyne	
CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12	ZINC000587951025	HJ	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C)cc(Br)c4[nH]1)(C3)C2	ZINC000587951090	HJ	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Br)cc(C)c4[nH]1)(C3)C2	ZINC000587951202	HJ	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(Br)c(C)c4[nH]1)(C3)C2	ZINC000587951207	HJ	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]1)(C3)C2	ZINC000587951327	HJ	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C#N)c(C(F)(F)F)cc4[nH]1)(C3)C2	ZINC000587951453	HJ	Annotated	Mild	
O=C(O)c1cc(Br)cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12	ZINC000587951634	HJ	Annotated	Anodyne	
Ic1cccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12	ZINC000587951671	HJ	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc5nc6ccccc6nc5cc4[nH]1)(C3)C2	ZINC000587951715	HJ	Annotated	Bother	
Ic1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1	ZINC000587951745	HJ	Annotated	Anodyne	
C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(I)cnc2[nH]1	ZINC000587952146	HJ	Annotated	Anodyne	
CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1	ZINC000587952413	HJ	Annotated	Anodyne	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1	ZINC000587952414	HJ	Annotated	Anodyne	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1	ZINC000587952415	HJ	Annotated	Anodyne	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1	ZINC000587952416	HJ	Annotated	Anodyne	
CCCCNS(=O)(=O)c1ccc2nc([C@H](CC)O[C@H]3CCC[C@H](C)C3)[nH]c2c1	ZINC000587952465	HJ	Annotated	Anodyne	
CCCCNS(=O)(=O)c1ccc2nc([C@H](CC)O[C@H]3CCC[C@@H](C)C3)[nH]c2c1	ZINC000587952466	HJ	Annotated	Anodyne	
CCCCNS(=O)(=O)c1ccc2nc([C@H](CC)O[C@@H]3CCC[C@@H](C)C3)[nH]c2c1	ZINC000587952467	HJ	Annotated	Anodyne	
CCCCNS(=O)(=O)c1ccc2nc([C@H](CC)O[C@@H]3CCC[C@H](C)C3)[nH]c2c1	ZINC000587952468	HJ	Annotated	Anodyne	
CO[C@H](C)COC1CCC(c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1	ZINC000587952555	HJ	Annotated	Anodyne	
CO[C@@H](C)COC1CCC(c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1	ZINC000587952556	HJ	Annotated	Anodyne	
CO[C@@H](C)COC1CCC(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1	ZINC000587952573	HJ	Annotated	Anodyne	
CO[C@H](C)COC1CCC(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1	ZINC000587952574	HJ	Annotated	Anodyne	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1	ZINC000587952891	HJ	Annotated	Anodyne	
CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1	ZINC000587952894	HJ	Annotated	Anodyne	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1	ZINC000587952895	HJ	Annotated	Anodyne	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1	ZINC000587952897	HJ	Annotated	Anodyne	
CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2c1	ZINC000587953453	HJ	Annotated	Anodyne	
C=CC(C)(C)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1	ZINC000587954353	HJ	Annotated	Mild	
CCc1ccc(C(=O)CCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1	ZINC000587954758	HJ	Annotated	Bother	
Cc1ccccc1C(C)(C)c1nc2c(I)cnc(Cl)c2[nH]1	ZINC000587954804	HJ	Annotated	Anodyne	
CC(C)(CC(=O)O)Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1	ZINC000587955200	HJ	Annotated	Anodyne	
CC1=C(c2ccc3nc([C@@H](Cc4ccccc4)c4ccccc4)[nH]c3c2)NNC(=O)C1	ZINC000587955542	HJ	Annotated	Anodyne	
CC1=C(c2ccc3nc([C@H](Cc4ccccc4)c4ccccc4)[nH]c3c2)NNC(=O)C1	ZINC000587955543	HJ	Annotated	Anodyne	
Oc1nc(NCc2ccccc2)c2nc([C@@H](Cc3ccccc3)c3ccccc3)nc-2[nH]1	ZINC000587955798	HJ	Annotated	Anodyne	
Oc1nc(NCc2ccccc2)c2nc([C@H](Cc3ccccc3)c3ccccc3)nc-2[nH]1	ZINC000587955799	HJ	Annotated	Anodyne	
CCc1ccc(C(=O)CCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1	ZINC000587956050	HJ	Annotated	Bother	
CCC[C@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1)C(C)C	ZINC000587956271	HJ	Annotated	Anodyne	
CCC[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1)C(C)C	ZINC000587956272	HJ	Annotated	Anodyne	
O=C(O)CCCCCCCCCCCCc1nc2ccc(S(=O)(=O)O)cc2[nH]1	ZINC000587956913	HJ	Annotated	Anodyne	
CCc1ccc(C(=O)CCc2nc3cccc(I)c3[nH]2)cc1	ZINC000587957109	HJ	Annotated	Anodyne	
O=C(O)CCCCCCCCCCCCc1nc2nc(Br)c[nH]c-2n1	ZINC000587957111	HJ	Annotated	Anodyne	
CCc1ccc(C(=O)CCc2nc3ccc(I)cc3[nH]2)cc1	ZINC000587957164	HJ	Annotated	Anodyne	
CCc1ccc(C(=O)CCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1	ZINC000587957413	HJ	Annotated	Clean	
O=C(O)CCCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCC(=O)N3	ZINC000587957890	HJ	Annotated	Anodyne	
CC1=C(c2ccc3nc(Cc4ccc(-c5ccccc5C)cc4)[nH]c3c2)NNC(=O)C1	ZINC000587958615	HJ	Annotated	Anodyne	
Ic1cnc2[nH]c(Cc3ccccc3-c3ccccc3)nc2c1	ZINC000587958885	HJ	Annotated	Anodyne	
Brc1cnc(Br)c2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc12	ZINC000587959353	HJ	Annotated	Anodyne	
Oc1nc(NCc2ccccc2)c2nc(Cc3ccccc3-c3ccccc3)nc-2[nH]1	ZINC000587959695	HJ	Annotated	Anodyne	
COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3cc(C)ccc3C)[nH]c2c1	ZINC000587959772	HJ	Annotated	Anodyne	
C[C@H](CCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)CC(=O)O	ZINC000587959859	HJ	Annotated	Anodyne	
Clc1ncc(I)c2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12	ZINC000587960399	HJ	Annotated	Anodyne	
CC(C)COc1cc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2cc1Br	ZINC000587960493	HJ	Annotated	Anodyne	
CC[C@@]1(Cc2nc3c(F)cnc(Br)c3[nH]2)CC(=O)c2ccccc2C1	ZINC000587960620	HJ	Annotated	Anodyne	
CC[C@]1(Cc2nc3c(F)cnc(Br)c3[nH]2)CC(=O)c2ccccc2C1	ZINC000587960626	HJ	Annotated	Anodyne	
O=C(O)Cc1ccc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1	ZINC000587961082	HJ	Annotated	Anodyne	
O=C(O)Cc1ccc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1	ZINC000587961189	HJ	Annotated	Anodyne	
O=C(O)Cc1ccc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1	ZINC000587961668	HJ	Annotated	Anodyne	
C[C@H](CCC(=O)O)Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1	ZINC000587961777	HJ	Annotated	Anodyne	
O=C(O)Cc1ccc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1	ZINC000587962095	HJ	Annotated	Anodyne	
CC[C@]1(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC(=O)c2ccccc2C1	ZINC000587962268	HJ	Annotated	Anodyne	
CC[C@@]1(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC(=O)c2ccccc2C1	ZINC000587962274	HJ	Annotated	Anodyne	
CC[C@@]1(Cc2nc3cc(C#N)cc(Br)c3[nH]2)CC(=O)c2ccccc2C1	ZINC000587962289	HJ	Annotated	Mild	
CC[C@]1(Cc2nc3cc(C#N)cc(Br)c3[nH]2)CC(=O)c2ccccc2C1	ZINC000587962290	HJ	Annotated	Mild	
O=C(O)Cc1ccc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1	ZINC000587962690	HJ	Annotated	Anodyne	
CC1(C)CCC(Cc2nc3c(I)cnc(Cl)c3[nH]2)CC1	ZINC000587963681	HJ	Annotated	Anodyne	
CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(O)ncnc2[nH]1	ZINC000587964565	HJ	Annotated	Mild	
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(O)ncnc2[nH]1	ZINC000587964566	HJ	Annotated	Mild	
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cnnc(O)c2[nH]1	ZINC000587964775	HJ	Annotated	Mild	
CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cnnc(O)c2[nH]1	ZINC000587964776	HJ	Annotated	Mild	
CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(N)ncnc2[nH]1	ZINC000587964912	HJ	Annotated	Mild	
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(N)ncnc2[nH]1	ZINC000587964913	HJ	Annotated	Mild	
COC(=O)c1cc(Br)c2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2c1	ZINC000587964994	HJ	Annotated	Anodyne	
O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C=C3CCC3)[nH]c2c1	ZINC000587965108	HJ	Annotated	Anodyne	
CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c[nH]c(=N)[nH]c-2n1	ZINC000587965897	HJ	Annotated	Mild	
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c[nH]c(=N)[nH]c-2n1	ZINC000587965904	HJ	Annotated	Mild	
Cc1ccc(C(=O)/C=C\c2nc3c(Br)cnc(Br)c3[nH]2)cc1	ZINC000587968039	HJ	Annotated	Mild	
Cc1ccc(C(=O)/C=C/c2nc3c(Br)cnc(Br)c3[nH]2)cc1	ZINC000587968040	HJ	Annotated	Mild	
O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Br)cc(C(F)(F)F)c4[nH]1)(C3)C2	ZINC000587968485	HJ	Annotated	Anodyne	
O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(C(F)(F)F)c(Br)cc4[nH]1)(C3)C2	ZINC000587968800	HJ	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(/C=C/C(=O)c3ccc(C)cc3)nc2c1	ZINC000587968910	HJ	Annotated	Mild	
CCOC(=O)c1cc(Br)c2[nH]c(/C=C\C(=O)c3ccc(C)cc3)nc2c1	ZINC000587968911	HJ	Annotated	Mild	
O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Br)c(Br)cc4[nH]1)(C3)C2	ZINC000587969004	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc([C@@]45C[C@H]6C[C@@H](C4)C(=O)[C@H](C6)C5)[nH]c3c2)cc1	ZINC000587969330	HJ	Annotated	Anodyne	
O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(C(F)(F)F)cc(Br)c4[nH]1)(C3)C2	ZINC000587969367	HJ	Annotated	Anodyne	
CC(C)Oc1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cc1Br	ZINC000587969375	HJ	Annotated	Anodyne	
O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4c(Br)ccc(Br)c4[nH]1)(C3)C2	ZINC000587969676	HJ	Annotated	Anodyne	
O=C1CCC(c2ccccc2)(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC1	ZINC000587969850	HJ	Annotated	Bother	
CCCOc1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cc1Br	ZINC000587970125	HJ	Annotated	Anodyne	
O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(Br)c(C(F)(F)F)c4[nH]1)(C3)C2	ZINC000587970151	HJ	Annotated	Anodyne	
O=C1CCC(c2ccccc2)(c2nc3c(Cl)c(Br)cnc3[nH]2)CC1	ZINC000587970210	HJ	Annotated	Anodyne	
O=C1CCC(c2ccccc2)(c2nc3c(Br)cnc(Cl)c3[nH]2)CC1	ZINC000587970411	HJ	Annotated	Anodyne	
O=C1CCC(c2ccccc2)(c2nc3ccc(I)cc3[nH]2)CC1	ZINC000587970562	HJ	Annotated	Anodyne	
O=C1CCC(c2ccccc2)(c2nc3cccc(I)c3[nH]2)CC1	ZINC000587970685	HJ	Annotated	Anodyne	
O=C1CCC(c2ccccc2)(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC1	ZINC000587971194	HJ	Annotated	Bother	
CC1(C)C=Cc2cc(/C=C/C(=O)c3ccc4c(c3O)C[C@@H](C(C)(C)O)O4)ccc2O1	ZINC000059075572	HJ	Annotated	Mild	 
C=C1CCC(=O)[C@@H](C)CC[C@H]2[C@H]1C[C@]2(C)[C@H](C/C=C(/C)COC(C)=O)OC(C)=O	ZINC000059096002	HJ	Annotated	Mild	
c1cc(-c2c[nH]c([C@H]3CCCN3)n2)ccc1-c1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1	ZINC000059156718	HJ	Annotated	Anodyne	 
c1cc(-c2c[nH]c([C@H]3CCCN3)n2)ccc1-c1ccc(-c2cnc([C@H]3CCCN3)[nH]2)cc1	ZINC000059156721	HJ	Annotated	Anodyne	 
C#C/C=C\C[C@@H](Cl)[C@@H]1C[C@@H](Br)[C@@H](/C=C\[C@H](Br)CC)O1	ZINC000059204557	HJ	Annotated	Reactive	
COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCC[C@H]3C)c([N+](=O)[O-])c2)n1	ZINC000059240267	HJ	Annotated	Anodyne	 
COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)n1	ZINC000059240269	HJ	Annotated	Anodyne	 
O=S(=O)(Cc1ccccc1)N1CCc2ccccc2[C@@H]1c1c[nH]c2ccccc12	ZINC000059242727	HJ	Annotated	Anodyne	 
O=S(=O)(Cc1ccccc1F)N1CCc2ccccc2[C@@H]1c1c[nH]c2ccccc12	ZINC000059242728	HJ	Annotated	Anodyne	 
O=S(=O)(Cc1cccc(F)c1)N1CCc2ccccc2[C@@H]1c1c[nH]c2ccccc12	ZINC000059242729	HJ	Annotated	Anodyne	 
O=S(=O)(Cc1ccccc1F)N1CCc2ccccc2[C@H]1c1c[nH]c2ccccc12	ZINC000059242730	HJ	Annotated	Anodyne	 
O=S(=O)(Cc1cccc(F)c1)N1CCc2ccccc2[C@H]1c1c[nH]c2ccccc12	ZINC000059242731	HJ	Annotated	Anodyne	 
O=S(=O)(Cc1ccccc1)N1CCc2ccccc2[C@H]1c1c[nH]c2ccccc12	ZINC000059243051	HJ	Annotated	Anodyne	 
O=S(=O)(Cc1ccc(F)cc1)N1CCc2ccccc2[C@@H]1c1c[nH]c2ccccc12	ZINC000059243052	HJ	Annotated	Anodyne	 
O=S(=O)(Cc1ccc(F)cc1)N1CCc2ccccc2[C@H]1c1c[nH]c2ccccc12	ZINC000059243053	HJ	Annotated	Anodyne	 
O=C(CSc1ccc(Br)cc1)Nc1c(C(=O)O)oc2ccccc12	ZINC000059255452	HJ	Annotated	Anodyne	
O=C(c1cccc(C(F)(F)F)c1Cl)N1CCN(c2ccccc2Cl)C(=O)C1	ZINC000059278839	HJ	Annotated	Anodyne	
COc1ccc(C2=N[C@H](c3ccccc3OC)N[C@H](c3cccc(OC)c3O)C2)cc1	ZINC000059503790	HJ	Annotated	Anodyne	 
COc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@H](c3cccc(OC)c3O)C2)cc1	ZINC000059503791	HJ	Annotated	Anodyne	 
COc1ccc(C2=N[C@H](c3ccccc3OC)N[C@@H](c3cccc(OC)c3O)C2)cc1	ZINC000059503792	HJ	Annotated	Anodyne	 
COc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@@H](c3cccc(OC)c3O)C2)cc1	ZINC000059503793	HJ	Annotated	Anodyne	 
C=C(C)[C@H](C=C(C)C)Cc1c(O)cc(O)c(C(=O)/C=C/c2ccc(O)cc2O)c1O	ZINC000059586054	HJ	Annotated	Mild	in-vitro biogenic
CC(C)(O)/C=C/C[C@@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3ccccc3)cc(O)c2O1	ZINC000059772759	HJ	Annotated	Mild	
CC(C)(O)/C=C/C[C@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3ccccc3)cc(O)c2O1	ZINC000059772764	HJ	Annotated	Mild	 
CC(C)(O)/C=C/C[C@@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3ccc(O)cc3)cc(O)c2O1	ZINC000059772773	HJ	Annotated	Mild	 
CC(C)(O)/C=C/C[C@]1(C)C=Cc2c(O)c(C(=O)/C=C/c3ccc(O)cc3)cc(O)c2O1	ZINC000059772783	HJ	Annotated	Mild	 
COc1cc(O)c(C(=O)CCc2ccccc2)c2c1[C@@H]1[C@@H](C(C)C)CC[C@](C)(O)[C@@H]1O2	ZINC000059774109	HJ	Annotated	Anodyne	
CC(C)=CCc1cc(C[C@@H](O)C(=O)c2cc(CC=C(C)C)c(O)cc2O)ccc1O	ZINC000059774507	HJ	Annotated	Anodyne	in-man endogenous
CC(C)=CCC1=C(O)[C@](O)(CC=C(C)C)C(=O)C(C(=O)CCc2ccccc2)=C1O	ZINC000059774599	HJ	Annotated	Mild	 
CC(C)=CCC1=C(O)[C@@](O)(CC=C(C)C)C(=O)C(C(=O)CCc2ccccc2)=C1O	ZINC000059774603	HJ	Annotated	Mild	 
Cc1ccc(-n2cc(CNCCCn3ccnc3C)c(-c3ccc(F)cc3)n2)cc1	ZINC000059807803	HJ	Annotated	Anodyne	 
COc1cc(O)c(C(=O)CCc2ccccc2)c2c1[C@@H]1[C@H](C(C)C)CC[C@](C)(O)[C@@H]1O2	ZINC000059873312	HJ	Annotated	Anodyne	
COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4[C@H](C)CCC[C@H]4[C@H]3C2=O)cc1	ZINC000006001912	HJ	Annotated	Anodyne	 
COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@H]4[C@H](CCC[C@H]4C)[C@H]3C2=O)cc1	ZINC000006001914	HJ	Annotated	Anodyne	 
CCOC(=O)/C(C#N)=C/c1ccc2c(c1)C[C@@]1(C2)Cc2cc(CC)c([C@@H](C)O)cc2C1	ZINC000006003235	HJ	Annotated	Reactive	
CCOC(=O)/C(C#N)=C/c1ccc2c(c1)C[C@@]1(C2)Cc2cc(CC)c([C@H](C)O)cc2C1	ZINC000006003237	HJ	Annotated	Reactive	
CCOC(=O)/C(C#N)=C/c1ccc2c(c1)C[C@]1(C2)Cc2cc(CC)c([C@H](C)O)cc2C1	ZINC000006003240	HJ	Annotated	Reactive	
COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC	ZINC000006003740	HJ	Annotated	Anodyne	
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@@H]3OC(C)=O	ZINC000006006542	HJ	Annotated	Anodyne	 
CC1=NN(c2ccccc2Cl)[C@@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1	ZINC000006009758	HJ	Annotated	Reactive	
CC1=NN(c2ccccc2Cl)[C@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1	ZINC000006009759	HJ	Annotated	Reactive	
CC1=NN(c2ccccc2Cl)[C@@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1	ZINC000006009760	HJ	Annotated	Reactive	
CC1=NN(c2ccccc2Cl)[C@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1	ZINC000006009761	HJ	Annotated	Reactive	
CC1=NN(c2cccc(Cl)c2)[C@@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1	ZINC000006009762	HJ	Annotated	Reactive	
CC1=NN(c2cccc(Cl)c2)[C@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1	ZINC000006009763	HJ	Annotated	Reactive	
CC1=NN(c2cccc(Cl)c2)[C@@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1	ZINC000006009765	HJ	Annotated	Reactive	
CC1=NN(c2cccc(Cl)c2)[C@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1	ZINC000006009766	HJ	Annotated	Reactive	
C[C@H](N)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C	ZINC000006030275	HJ	Annotated	Anodyne	in-vitro biogenic
CC(=O)O[C@@H](CO)COC(=O)[C@@H]1[C@@H](C)CC[C@@]2(C)[C@@H]3CCCC(C)(C)C3=CC[C@@]12C	ZINC000006037775	HJ	Annotated	Anodyne	 
O=C1/C(=C/c2ccc(Cl)cc2)N=C(c2ccccc2)N1/N=C/c1ccccc1O	ZINC000006041135	HJ	Annotated	Mild	
O=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccc(Br)cc21	ZINC000006041234	HJ	Annotated	Anodyne	
COc1cccc(/C=C(/C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)c2ccccc2)c1	ZINC000006052329	HJ	Annotated	Anodyne	 
COc1cccc(/C=C(/C(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)c2ccccc2)c1	ZINC000006052331	HJ	Annotated	Anodyne	 
COc1cccc(/C=C(/C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c2ccccc2)c1	ZINC000006052333	HJ	Annotated	Anodyne	 
COc1cc(OC)c([C@H]2[C@@H](C)[C@H](C)[C@H]2c2cc(OC)c(OC)cc2OC)cc1OC	ZINC000006066905	HJ	Annotated	Anodyne	in-man
COc1cc(OC)c([C@H]2[C@H](C)[C@H](C)[C@H]2c2cc(OC)c(OC)cc2OC)cc1OC	ZINC000006067053	HJ	Annotated	Anodyne	in-man metabolite
COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]1C2	ZINC000006069175	HJ	Annotated	Anodyne	 
O=C(/N=N\c1c(O)n([C@@H]2OC(=O)c3ccccc32)c2ccccc12)c1ccc(O)cc1	ZINC000006197621	HJ	Annotated	Clean	
O=C(/N=N\c1c(O)n([C@H]2OC(=O)c3ccccc32)c2ccccc12)c1ccc(O)cc1	ZINC000006197625	HJ	Annotated	Clean	
CCN1c2ncc(CCc3ccc(C)cc3)cc2C(=O)N(C)c2ccc(Cl)nc21	ZINC000006385125	HJ	Annotated	Anodyne	
CCN1c2ncc(CCc3cccc(C)c3)cc2C(=O)N(C)c2ccc(Cl)nc21	ZINC000006385126	HJ	Annotated	Anodyne	
COC(=O)c1c(C[C@H](Cc2ccc3c(c2)CCCC3)C(=O)OC)ccc2c1CCCC2	ZINC000006385133	HJ	Annotated	Anodyne	
CCN1c2ncc(COc3ccc(F)cc3)cc2C(=O)N(C)c2ccc(Cl)nc21	ZINC000006385135	HJ	Annotated	Anodyne	
CCN1c2ncc(COc3ccccc3F)cc2C(=O)N(C)c2ccc(Cl)nc21	ZINC000006385143	HJ	Annotated	Anodyne	
COC(=O)c1c2c(cc3c1C[C@]1(Cc4cc5c(c(C=O)c4C1)CCCC5)C3)CCCC2	ZINC000006385162	HJ	Annotated	Anodyne	
COc1cc([C@@H](c2ccc3c(c2)OCO3)C2SCCCS2)cc(OC)c1OC	ZINC000006403593	HJ	Annotated	Anodyne	
CCOC(=O)c1sc2cc(-c3cc(F)c(Cl)cc3Cl)oc(=O)c2c1N	ZINC000006403610	HJ	Annotated	Anodyne	
CCN(Cc1ccccc1)c1ccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)cc1	ZINC000006405496	HJ	Annotated	Mild	 
CCc1c(Sc2ccccc2)n(C/C=C/c2cc3ccccc3o2)c(=O)[nH]c1=O	ZINC000006424958	HJ	Annotated	Anodyne	
CC(C)CCn1c(O)c(/N=N\C(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21	ZINC000006459352	HJ	Annotated	Clean	
COc1cc(OC)c([C@H]2c3c(c(OC)cc(OC)c3OC)C=C(C)[C@H]2C)cc1OC	ZINC000006469330	HJ	Annotated	Anodyne	in-vitro biogenic
COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@@H](C)C[C@H]4[C@H]3C2=O)cc1	ZINC000006488414	HJ	Annotated	Anodyne	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1	ZINC000006492422	HJ	Annotated	Anodyne	 
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1	ZINC000006492423	HJ	Annotated	Anodyne	 
C[C@H]1Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2[C@@H](O)[C@H]1C)O[C@H]1[C@@H]3C1(C)C	ZINC000006499567	HJ	Annotated	Anodyne	
C[C@H]1Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2[C@@H](O)[C@H]1C)O[C@@H]1[C@H]3C1(C)C	ZINC000006499571	HJ	Annotated	Anodyne	
[C-]#[N+][C@]12[C@H]3O[C@H]3C(C)(C)c3[nH]c4cccc5c4c3[C@]1(O)[C@H](CC[C@]2(C)C=C)C5(C)C	ZINC000060091486	HJ	Annotated	Reactive	in-vitro
CCCCCCCCCCC[C@@H]1C[C@@H](O)C[C@]2(CC[C@]3(C=CC(=O)C[C@@H]3O)O2)O1	ZINC000060094838	HJ	Annotated	Mild	
CCCCCCCCCCC[C@@H]1C[C@@H](O)C[C@]2(CC[C@@]3(C=CC(=O)C[C@H]3O)O2)O1	ZINC000060094845	HJ	Annotated	Mild	
CCOc1ccccc1-[n+]1c(=S)[c-](C(=O)Nc2ccc(C)cc2)n2ccccc21	ZINC000061714926	HJ	Annotated	Anodyne	
CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)O3)c1	ZINC000061895333	HJ	Annotated	Anodyne	 
CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)O3)c1	ZINC000061895334	HJ	Annotated	Anodyne	 
CN(C)C(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccccc4Cl)cn23)c1	ZINC000061895639	HJ	Annotated	Anodyne	 
COc1ccc(Nc2nc3cc(-c4sccc4C)sc3c(=O)n2C)cc1OC	ZINC000061895750	HJ	Annotated	Anodyne	 
CCN(CC)C(=O)c1cccc(-c2csc([C@H](NC(C)=O)c3ccccc3)n2)c1	ZINC000061895831	HJ	Annotated	Anodyne	 
CCN(CC)C(=O)c1cccc(-c2csc([C@@H](NC(C)=O)c3ccccc3)n2)c1	ZINC000061895832	HJ	Annotated	Anodyne	 
COc1cc(NC(=O)c2ccc(-c3c(C)noc3C)c3ccoc23)cc(OC)c1OC	ZINC000061895899	HJ	Annotated	Anodyne	 
C[C@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)CCN1Cc1cc2ccccc2o1	ZINC000061895968	HJ	Annotated	Anodyne	 
C[C@@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)CCN1Cc1cc2ccccc2o1	ZINC000061895969	HJ	Annotated	Anodyne	 
COc1cccc(CNc2nc3cc(-c4ccccc4C)sc3c(=O)n2C)c1OC	ZINC000061896269	HJ	Annotated	Anodyne	 
C[C@]1(C(=O)NCCC(F)(F)F)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1	ZINC000061896271	HJ	Annotated	Anodyne	 
C[C@@]1(C(=O)NCCC(F)(F)F)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1	ZINC000061896273	HJ	Annotated	Anodyne	 
COc1ccc([C@H](N)c2csc(Nc3cc(Oc4ccccc4)ncn3)n2)cc1	ZINC000061896982	HJ	Annotated	Anodyne	 
COc1ccc([C@@H](N)c2csc(Nc3cc(Oc4ccccc4)ncn3)n2)cc1	ZINC000061896985	HJ	Annotated	Anodyne	 
COc1cccc(-c2cc3nc(NCc4ccc(C)cc4C)n(C)c(=O)c3s2)c1	ZINC000061897016	HJ	Annotated	Anodyne	 
COc1ccc([C@](C)(NC(C)=O)c2nc(-c3cccc4cccnc34)cs2)cc1	ZINC000061897557	HJ	Annotated	Anodyne	 
COc1ccc([C@@](C)(NC(C)=O)c2nc(-c3cccc4cccnc34)cs2)cc1	ZINC000061897558	HJ	Annotated	Anodyne	 
C#Cc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)CC(c2ccccc2)c2ccccc2)cc1	ZINC000061897586	HJ	Annotated	Mild	 
C#Cc1ccc(NC(=O)[C@]2(C)CCN2C(=O)CC(c2ccccc2)c2ccccc2)cc1	ZINC000061897588	HJ	Annotated	Mild	 
CC(C)CN1CCC(C(=O)N[C@@H](c2ccc(F)cc2)c2ccc3ccccc3n2)CC1	ZINC000061897711	HJ	Annotated	Anodyne	 
CC(C)CN1CCC(C(=O)N[C@H](c2ccc(F)cc2)c2ccc3ccccc3n2)CC1	ZINC000061897712	HJ	Annotated	Anodyne	 
CCc1nc2c(OCc3ccc(F)c(F)c3)cccn2c1N(C)C(=O)c1ccco1	ZINC000061897998	HJ	Annotated	Anodyne	 
O=C(Nc1ccccc1)c1cc([C@H]2CCCN(C(=O)C/C=C/c3ccccc3)C2)on1	ZINC000061898612	HJ	Annotated	Anodyne	 
O=C(Nc1ccccc1)c1cc([C@@H]2CCCN(C(=O)C/C=C/c3ccccc3)C2)on1	ZINC000061898613	HJ	Annotated	Anodyne	 
CC(=O)Nc1ccc(CNc2nc3cc(-c4ccccc4C)sc3c(=O)n2C)cc1	ZINC000061898862	HJ	Annotated	Anodyne	 
CCCCC(=O)N(C)c1c(CC)nc2c(OCCOc3ccc(F)cc3)cccn12	ZINC000061902563	HJ	Annotated	Anodyne	 
O=C(Nc1nc(OCC(F)(F)F)cnc1/C=C\c1ccccc1)c1ccsc1	ZINC000061902707	HJ	Annotated	Anodyne	 
CCc1nc2c(OCc3ccc(Cl)cc3)cccn2c1N(C)C(=O)c1ccncc1	ZINC000061903015	HJ	Annotated	Anodyne	 
COc1ccc(CN2CC[C@]2(C)C(=O)Nc2cnc3ccccc3c2)c2ccccc12	ZINC000061903169	HJ	Annotated	Anodyne	 
COc1ccc(CN2CC[C@@]2(C)C(=O)Nc2cnc3ccccc3c2)c2ccccc12	ZINC000061903170	HJ	Annotated	Anodyne	 
COc1ccccc1CNc1nc(NCCOc2ccccc2)c2sccc2n1	ZINC000061903336	HJ	Annotated	Anodyne	 
COc1cc(-c2cnc3c(NC=O)cc(-c4ccc(C)cc4)cn23)cc(OC)c1OC	ZINC000061903365	HJ	Annotated	Anodyne	 
CCc1nc2c(OCc3ccccc3)cccn2c1N(C)C(=O)c1ccc(OC)cc1	ZINC000061903536	HJ	Annotated	Anodyne	 
O=C(NCc1ccncc1)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1	ZINC000061903620	HJ	Annotated	Anodyne	 
O=C(NCc1ccncc1)[C@@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1	ZINC000061903621	HJ	Annotated	Anodyne	 
COc1ccc(C[C@H](N)c2csc(Nc3cc(Oc4ccccc4)ncn3)n2)cc1	ZINC000061903953	HJ	Annotated	Anodyne	 
COc1ccc(C[C@@H](N)c2csc(Nc3cc(Oc4ccccc4)ncn3)n2)cc1	ZINC000061903954	HJ	Annotated	Anodyne	 
COC(=O)c1ccccc1COc1cccn2c(N(C)Cc3cccs3)c(C)nc12	ZINC000061904152	HJ	Annotated	Anodyne	 
C[C@]1(C(=O)NCc2cccc3ccccc23)CCN1Cc1ccccc1OC(F)F	ZINC000061904584	HJ	Annotated	Anodyne	 
C[C@@]1(C(=O)NCc2cccc3ccccc23)CCN1Cc1ccccc1OC(F)F	ZINC000061904585	HJ	Annotated	Anodyne	 
CCc1nc2c(OCc3ccc(C#N)cc3)cccn2c1N(C)C(=O)c1cccs1	ZINC000061904608	HJ	Annotated	Mild	 
CCc1nc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cn2c1N(C)CCC(C)C	ZINC000061904638	HJ	Annotated	Anodyne	 
CC(=O)Nc1ccc(-c2ccnc3c2C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)O3)cc1	ZINC000061905214	HJ	Annotated	Anodyne	 
CC(=O)Nc1ccc(-c2ccnc3c2C[C@H](C(=O)Nc2ccc(C(C)C)cc2)O3)cc1	ZINC000061905215	HJ	Annotated	Anodyne	 
CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)O3)c1	ZINC000061905320	HJ	Annotated	Anodyne	 
CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)Nc2ccc(C(C)C)cc2)O3)c1	ZINC000061905321	HJ	Annotated	Anodyne	 
Cc1ccccc1-c1cc2nc(NCc3ccc(N(C)C)cc3)n(C)c(=O)c2s1	ZINC000061905328	HJ	Annotated	Clean	 
CC(C)Oc1ccc(CN2CC[C@@]2(C)C(=O)NCc2ccc(C(F)(F)F)cc2)cc1	ZINC000061905352	HJ	Annotated	Anodyne	 
CC(C)Oc1ccc(CN2CC[C@]2(C)C(=O)NCc2ccc(C(F)(F)F)cc2)cc1	ZINC000061905353	HJ	Annotated	Anodyne	 
CC(=O)Nc1cc(-c2ccc(N)nc2)cn2c(-c3cccc(C(F)(F)F)c3)cnc12	ZINC000061905362	HJ	Annotated	Anodyne	 
Cc1cc(C)cc(Cn2c3ccc(NC(=S)NC4CCCCC4)cc3c(=O)n2C)c1	ZINC000061905593	HJ	Annotated	Anodyne	 
CCC(CC)C(=O)N(C)c1c(C)nc2c(OCCOc3ccc(F)cc3)cccn12	ZINC000061905617	HJ	Annotated	Anodyne	 
CCCCN(C)C(=O)c1ccc(Nc2nc([C@H](N)CCc3ccccc3)cs2)nc1	ZINC000061905642	HJ	Annotated	Anodyne	 
CCCCN(C)C(=O)c1ccc(Nc2nc([C@@H](N)CCc3ccccc3)cs2)nc1	ZINC000061905643	HJ	Annotated	Anodyne	 
COc1ccc(OC)c(NC(=O)Nc2nc([C@H](N)c3ccccc3Cl)cs2)c1	ZINC000061905795	HJ	Annotated	Anodyne	 
COc1ccc(OC)c(NC(=O)Nc2nc([C@@H](N)c3ccccc3Cl)cs2)c1	ZINC000061905796	HJ	Annotated	Anodyne	 
CC(=O)Nc1cc(-c2ccc(CO)cc2)cn2c(-c3ccc(F)c(Cl)c3)cnc12	ZINC000061905825	HJ	Annotated	Anodyne	 
C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc21	ZINC000061905962	HJ	Annotated	Anodyne	 
C[C@]1(Cc2ccc(OC(F)(F)F)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc21	ZINC000061905963	HJ	Annotated	Anodyne	 
COc1ccc([C@](C)(NC(C)=O)c2nc(-c3cnc4ccccc4c3)cs2)cc1	ZINC000061906130	HJ	Annotated	Anodyne	 
COc1ccc([C@@](C)(NC(C)=O)c2nc(-c3cnc4ccccc4c3)cs2)cc1	ZINC000061906131	HJ	Annotated	Anodyne	 
C[C@]1(C(=O)Nc2cccc(Oc3ccccc3)c2)CCN1Cc1cccc2c1OCO2	ZINC000061906164	HJ	Annotated	Anodyne	 
C[C@@]1(C(=O)Nc2cccc(Oc3ccccc3)c2)CCN1Cc1cccc2c1OCO2	ZINC000061906165	HJ	Annotated	Anodyne	 
C/C(O)=N\CC/N=C(\O)[C@@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1	ZINC000061906201	HJ	Annotated	Mild	 
C/C(O)=N\CC/N=C(\O)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1	ZINC000061906202	HJ	Annotated	Mild	 
CCc1nc2c(OCc3ccc(C#N)cc3)cccn2c1N(C)C(=O)c1ccc(C)cc1	ZINC000061906204	HJ	Annotated	Mild	 
CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2ccc(Cl)cc2)O3)cc1	ZINC000061906322	HJ	Annotated	Anodyne	 
CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccc(Cl)cc2)O3)cc1	ZINC000061906323	HJ	Annotated	Anodyne	 
C[C@]1(C(=O)NCc2cccs2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1	ZINC000061906357	HJ	Annotated	Anodyne	 
C[C@@]1(C(=O)NCc2cccs2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1	ZINC000061906358	HJ	Annotated	Anodyne	 
COc1cc(Cl)ccc1O[C@@]1(C)CCN(Cc2cccn2-c2nccs2)C1	ZINC000061906388	HJ	Annotated	Anodyne	 
COc1cc(Cl)ccc1O[C@]1(C)CCN(Cc2cccn2-c2nccs2)C1	ZINC000061906389	HJ	Annotated	Anodyne	 
COc1cccc(CNc2nc3cc(-c4ccc(OC)cc4C)sc3c(=O)n2C)c1	ZINC000061906473	HJ	Annotated	Anodyne	 
CCc1nc2c(OCc3ccc(F)c(F)c3)cccn2c1N(C)C(=O)CC(C)C	ZINC000061906741	HJ	Annotated	Anodyne	 
C[C@@]1(Cc2ccccc2OC(F)(F)F)C(=O)Nc2ccc(OC(F)(F)F)cc21	ZINC000061906968	HJ	Annotated	Anodyne	 
C[C@]1(Cc2ccccc2OC(F)(F)F)C(=O)Nc2ccc(OC(F)(F)F)cc21	ZINC000061906969	HJ	Annotated	Anodyne	 
CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(C(=O)Nc3ccncc3)no2)cc1	ZINC000061907032	HJ	Annotated	Anodyne	 
CC(C)c1ccc(C(=O)N2CCCC[C@H]2c2cc(C(=O)Nc3ccncc3)no2)cc1	ZINC000061907033	HJ	Annotated	Anodyne	 
COc1ccc(Nc2nc3cc(-c4ccccc4C)sc3c(=O)n2C)cc1OC	ZINC000061907051	HJ	Annotated	Anodyne	 
CCCc1cnc(Nc2nc([C@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)nc1	ZINC000061907105	HJ	Annotated	Anodyne	 
CCCc1cnc(Nc2nc([C@@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)nc1	ZINC000061907106	HJ	Annotated	Anodyne	 
COc1cccc(-c2cnc3c(NC(C)=O)cc(-c4cc(F)ccc4OC)cn23)c1	ZINC000061907462	HJ	Annotated	Anodyne	 
CCN(CC)C(=O)c1cccc(-c2csc([C@H](O)c3ccc(F)c(OC)c3)n2)c1	ZINC000061907666	HJ	Annotated	Anodyne	 
CCN(CC)C(=O)c1cccc(-c2csc([C@@H](O)c3ccc(F)c(OC)c3)n2)c1	ZINC000061907667	HJ	Annotated	Anodyne	 
CCOC(=O)N(C)c1c(CC)nc2c(OCc3ccc(OC(F)F)cc3)cccn12	ZINC000061907869	HJ	Annotated	Anodyne	 
CCN(CC)C(=O)c1cccc(-c2csc([C@H](O)c3ccc(F)c(F)c3)n2)c1	ZINC000061907896	HJ	Annotated	Anodyne	 
CCN(CC)C(=O)c1cccc(-c2csc([C@@H](O)c3ccc(F)c(F)c3)n2)c1	ZINC000061907897	HJ	Annotated	Anodyne	 
CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2ccc(Cl)cc2)O3)c1	ZINC000061908215	HJ	Annotated	Anodyne	 
CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccc(Cl)cc2)O3)c1	ZINC000061908216	HJ	Annotated	Anodyne	 
Cn1c(NCc2cccnc2)nc2cc(-c3cccc(C(F)(F)F)c3)sc2c1=O	ZINC000061908573	HJ	Annotated	Anodyne	 
CC(C)C[C@H](N)c1csc(Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)n1	ZINC000061908765	HJ	Annotated	Anodyne	 
CC(C)C[C@@H](N)c1csc(Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)n1	ZINC000061908766	HJ	Annotated	Anodyne	 
CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccc(Cl)cc2)O3)cc1	ZINC000061908785	HJ	Annotated	Anodyne	 
CN(C)c1ccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2ccc(Cl)cc2)O3)cc1	ZINC000061908786	HJ	Annotated	Anodyne	 
CCc1nc2ccc(C(=O)N3CCCCC3)cn2c1N(C)CCCc1ccccc1	ZINC000061908828	HJ	Annotated	Anodyne	 
O=C(NCc1ccco1)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1	ZINC000061908987	HJ	Annotated	Anodyne	 
O=C(NCc1ccco1)[C@@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1	ZINC000061908988	HJ	Annotated	Anodyne	 
CC(=O)N1C[C@@]2(CC(c3ccc(Cl)cc3Cl)=NO2)CN1c1cccc(Cl)c1	ZINC000061920881	HJ	Annotated	Anodyne	 
CC(=O)N1C[C@]2(CC(c3ccc(Cl)cc3Cl)=NO2)CN1c1cccc(Cl)c1	ZINC000061920882	HJ	Annotated	Anodyne	 
CC(=O)N1C[C@@]2(CC(c3ccccc3C(F)(F)F)=NO2)CN1c1ccc(Cl)cc1	ZINC000061920883	HJ	Annotated	Anodyne	 
CC(=O)N1C[C@]2(CC(c3ccccc3C(F)(F)F)=NO2)CN1c1ccc(Cl)cc1	ZINC000061920884	HJ	Annotated	Anodyne	 
CC(C)N1C[C@@]2(CC(c3ccccc3F)=NO2)CN1C(=O)c1ccc(C(C)(C)C)cc1	ZINC000061920891	HJ	Annotated	Anodyne	 
CC(C)N1C[C@]2(CC(c3ccccc3F)=NO2)CN1C(=O)c1ccc(C(C)(C)C)cc1	ZINC000061920892	HJ	Annotated	Anodyne	 
CC1(C)CC(=O)C=C(c2cccc(OC(=O)c3ccc(Br)cc3)c2)C1=O	ZINC000061921078	HJ	Annotated	Mild	 
CCC[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(Cl)ccc1c2=O	ZINC000061921275	HJ	Annotated	Anodyne	 
CCC[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(Cl)ccc1c2=O	ZINC000061921276	HJ	Annotated	Anodyne	 
CC(C)C[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(F)c(F)cc1c2=O	ZINC000061921307	HJ	Annotated	Anodyne	 
CC(C)C[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(F)c(F)cc1c2=O	ZINC000061921308	HJ	Annotated	Anodyne	 
Cc1cc(C)c2c(=O)n3c(nc2c1)[C@@H](CC(C)C)NC(=O)c1cc2ccccc2cc1-3	ZINC000061921309	HJ	Annotated	Anodyne	 
Cc1cc(C)c2c(=O)n3c(nc2c1)[C@H](CC(C)C)NC(=O)c1cc2ccccc2cc1-3	ZINC000061921310	HJ	Annotated	Anodyne	 
CC(C)C[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccc(F)cc1c2=O	ZINC000061921313	HJ	Annotated	Anodyne	 
CC(C)C[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccc(F)cc1c2=O	ZINC000061921314	HJ	Annotated	Anodyne	 
CC1(C)CN(C2CCCCC2)C(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1	ZINC000061923189	HJ	Annotated	Anodyne	 
CCC[C@H]1CN(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1	ZINC000061923257	HJ	Annotated	Anodyne	 
CCC[C@H]1CN(c2ccc(Br)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1	ZINC000061923280	HJ	Annotated	Anodyne	 
COc1ccc(NC(=O)C[C@H]2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2)cc1	ZINC000061923293	HJ	Annotated	Anodyne	 
O[C@H]1C[C@H](c2ccc(Cl)cc2)N(CC2CCCCC2)C[C@@H]1n1cc(C2CC2)nn1	ZINC000061923659	HJ	Annotated	Anodyne	 
CCCCCCN1C[C@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccc(Cl)cc1	ZINC000061923665	HJ	Annotated	Anodyne	 
O[C@@H]1C[C@H](c2ccc(Cl)cc2)N(CC2CCCCC2)C[C@H]1n1cc(C2CC2)nn1	ZINC000061923781	HJ	Annotated	Anodyne	 
CCCCCCN1C[C@@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1	ZINC000061923783	HJ	Annotated	Anodyne	 
O[C@H]1CN(CC2CCCCC2)[C@@H](c2ccc(Cl)cc2)C[C@@H]1n1cc(C2CC2)nn1	ZINC000061923833	HJ	Annotated	Anodyne	 
O[C@@H]1CN(CC2CCCCC2)[C@@H](c2ccc(Cl)cc2)C[C@H]1n1cc(C2CC2)nn1	ZINC000061923944	HJ	Annotated	Anodyne	 
Cc1ccccc1CN1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(Br)c1	ZINC000061924036	HJ	Annotated	Anodyne	 
CC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(-c2cc(Cl)cc(Cl)c2)c1	ZINC000061924150	HJ	Annotated	Anodyne	 
O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1Cc2c(-c3cccc(F)c3)ccnc2O1	ZINC000061925633	HJ	Annotated	Anodyne	 
O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1Cc2c(-c3cccc(F)c3)ccnc2O1	ZINC000061925634	HJ	Annotated	Anodyne	 
COc1cccc(CNc2nc(NCc3ccccc3OC)nc3ccsc23)c1	ZINC000061925896	HJ	Annotated	Anodyne	 
CCN(CC)C(=O)c1cccc(-c2csc([C@](C)(NC(C)=O)c3ccccc3)n2)c1	ZINC000061926067	HJ	Annotated	Anodyne	 
CCN(CC)C(=O)c1cccc(-c2csc([C@@](C)(NC(C)=O)c3ccccc3)n2)c1	ZINC000061926068	HJ	Annotated	Anodyne	 
N[C@H](Cc1ccc(F)cc1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1	ZINC000061926138	HJ	Annotated	Anodyne	 
N[C@@H](Cc1ccc(F)cc1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1	ZINC000061926139	HJ	Annotated	Anodyne	 
Cc1nc2c(OCC(=O)c3ccc(F)cc3)cccn2c1N(C)Cc1cccs1	ZINC000061926148	HJ	Annotated	Anodyne	 
C[C@]1(C(=O)NCc2ccccc2Br)CCN1Cc1ccc2ccccc2c1	ZINC000061926150	HJ	Annotated	Anodyne	 
C[C@@]1(C(=O)NCc2ccccc2Br)CCN1Cc1ccc2ccccc2c1	ZINC000061926151	HJ	Annotated	Anodyne	 
CCc1nc2c(OCc3ccc(C(F)(F)F)cc3)cccn2c1N(C)C(=O)C1CC1	ZINC000061926240	HJ	Annotated	Anodyne	 
CCc1nc2c(OCCOc3ccc(F)cc3)cccn2c1N(C)C(=O)CC(C)C	ZINC000061926368	HJ	Annotated	Anodyne	 
Cn1c(=O)c2cc(NC(=S)NC3CCCCC3)ccc2n1C/C=C/c1ccccc1	ZINC000061926899	HJ	Annotated	Anodyne	 
COc1ccc([C@H](O)c2nc(-c3cccc(OCc4ccccc4)c3)c[nH]2)cc1F	ZINC000061927033	HJ	Annotated	Anodyne	 
COc1ccc([C@@H](O)c2nc(-c3cccc(OCc4ccccc4)c3)c[nH]2)cc1F	ZINC000061927034	HJ	Annotated	Anodyne	 
CC(=O)Nc1cccc(-c2cc(NC=O)c3ncc(-c4ccc(F)c(Cl)c4)n3c2)c1	ZINC000061927172	HJ	Annotated	Anodyne	 
COc1ccc(C[C@@H](N)c2csc(NC(=O)c3cc(C(C)(C)C)oc3C)n2)cc1	ZINC000061927358	HJ	Annotated	Anodyne	 
COc1ccc(C[C@H](N)c2csc(NC(=O)c3cc(C(C)(C)C)oc3C)n2)cc1	ZINC000061927359	HJ	Annotated	Anodyne	 
N[C@@H](COCc1ccccc1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1	ZINC000061927812	HJ	Annotated	Anodyne	 
N[C@H](COCc1ccccc1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1	ZINC000061927813	HJ	Annotated	Anodyne	 
COc1cc(-c2cc3nc(NCc4cccc(Cl)c4)ccn3n2)cc(OC)c1OC	ZINC000061927992	HJ	Annotated	Anodyne	 
CCc1nc2c(OCCC3CCCCC3)cccn2c1N(C)C(=O)c1ccncc1	ZINC000061928635	HJ	Annotated	Anodyne	 
CC(C)c1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1	ZINC000061928692	HJ	Annotated	Anodyne	 
CC(C)c1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1	ZINC000061928693	HJ	Annotated	Anodyne	 
CC(C)c1ccc(NC(=O)[C@@H]2Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1	ZINC000061928735	HJ	Annotated	Anodyne	 
CC(C)c1ccc(NC(=O)[C@H]2Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1	ZINC000061928737	HJ	Annotated	Anodyne	 
CCc1nc2c(OCc3ccc(Cl)cc3)cccn2c1N(C)C(=O)c1ccco1	ZINC000061928820	HJ	Annotated	Anodyne	 
CCc1nc2c(OCCOc3ccccc3)cccn2c1N(C)C(=O)c1cccs1	ZINC000061928848	HJ	Annotated	Anodyne	 
Cc1cc(C)cc(-n2c3ccc(NC(=S)NC4CCCCC4)cc3c(=O)n2C)c1	ZINC000061928891	HJ	Annotated	Anodyne	 
COCCNc1nc(NCCOc2ccccc2)c2sc(-c3ccccc3)cc2n1	ZINC000061929179	HJ	Annotated	Anodyne	 
COc1ccccc1CNc1nc(NCc2ccccc2OC)c2sccc2n1	ZINC000061929199	HJ	Annotated	Anodyne	 
C#Cc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)c2ccccc2CCc2ccccc2)cc1	ZINC000061929310	HJ	Annotated	Mild	 
C#Cc1ccc(NC(=O)[C@]2(C)CCN2C(=O)c2ccccc2CCc2ccccc2)cc1	ZINC000061929312	HJ	Annotated	Mild	 
CCc1nc2c(OCc3cccc(Cl)c3)cccn2c1N(C)C(=O)c1ccco1	ZINC000061929950	HJ	Annotated	Anodyne	 
C[C@@H](CC(=O)Nc1ccc2c(c1)c(=O)n(C)n2Cc1ccc(F)cc1)c1ccccc1	ZINC000061930083	HJ	Annotated	Anodyne	 
C[C@H](CC(=O)Nc1ccc2c(c1)c(=O)n(C)n2Cc1ccc(F)cc1)c1ccccc1	ZINC000061930085	HJ	Annotated	Anodyne	 
COc1ccccc1NC(=O)Nc1nc([C@H](N)Cc2ccc(Cl)cc2)cs1	ZINC000061930137	HJ	Annotated	Anodyne	 
COc1ccccc1NC(=O)Nc1nc([C@@H](N)Cc2ccc(Cl)cc2)cs1	ZINC000061930139	HJ	Annotated	Anodyne	 
O=C(Nc1cccnc1)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1	ZINC000061930564	HJ	Annotated	Anodyne	 
O=C(Nc1cccnc1)[C@@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1	ZINC000061930565	HJ	Annotated	Anodyne	 
N[C@H](c1csc(Nc2cc(NCc3ccco3)ncn2)n1)c1ccccc1Cl	ZINC000061930978	HJ	Annotated	Anodyne	 
N[C@@H](c1csc(Nc2cc(NCc3ccco3)ncn2)n1)c1ccccc1Cl	ZINC000061930979	HJ	Annotated	Anodyne	 
CC(C)C[C@H]1CNC(=S)N1CC1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1	ZINC000061936122	HJ	Annotated	Anodyne	 
CC[C@H](C)[C@H]1CNC(=S)N1CC1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1	ZINC000061936143	HJ	Annotated	Anodyne	 
CN1OC[C@@H]2CN(Cc3ccc(Cl)cc3)[C@H](c3cccc(Br)c3)C[C@@H]21	ZINC000061942317	HJ	Annotated	Anodyne	 
COc1ccccc1-c1cccc([C@@H]2C[C@H]3[C@H](CON3C)CN2C(=O)C(C)(C)C)c1	ZINC000061942643	HJ	Annotated	Anodyne	 
O=C1C[C@H](c2ccccc2)CC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3o1)N2	ZINC000061944521	HJ	Annotated	Mild	 
O=C1C[C@@H](c2ccccc2)CC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3o1)N2	ZINC000061944523	HJ	Annotated	Mild	 
CC(C)[C@H]1COCCS(=O)(=O)N1Cc1ccccc1-c1ccc(C(C)(C)C)cc1	ZINC000061944769	HJ	Annotated	Anodyne	 
CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](C(=O)O)O[C@]23CCCO3)C1	ZINC000061944951	HJ	Annotated	Anodyne	 
COC(=O)[C@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]2(CCCO2)O1	ZINC000061944952	HJ	Annotated	Anodyne	 
CC(C)(C)C(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]2CC[C@]2(C)C(=O)[C@@H](F)C[C@H]32)C1	ZINC000061946748	HJ	Annotated	Anodyne	 
CC(C)(C)C(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4C[C@H](F)C(=O)[C@@]4(C)CC[C@H]32)C1	ZINC000061946755	HJ	Annotated	Anodyne	 
CC(C)(C)[C@@H]1C=C(C(=O)O)[C@H](c2ccc(Cl)cc2)N1S(=O)(=O)c1ccccc1	ZINC000061947015	HJ	Annotated	Anodyne	 
CCCC[C@@H]1C=C(C(=O)O)[C@H](c2ccc(C)cc2)N1S(=O)(=O)c1ccc(C)cc1	ZINC000061947059	HJ	Annotated	Anodyne	 
COc1cc(OC)cc(-c2cc(=O)c3cc(C#CC4(O)CCCCC4)ccc3o2)c1	ZINC000061948138	HJ	Annotated	Mild	 
CON(C)C(=O)CC1(CN(Cc2ccccc2)C(=O)OC(C)(C)C)CCCCC1	ZINC000061948194	HJ	Annotated	Anodyne	 
CC[C@@H](CO)Oc1cc(NC(=O)c2ccccc2Cl)c2ncn(C(C)C)c2c1	ZINC000061949063	HJ	Annotated	Anodyne	 
CC[C@H](CO)Oc1cc(NC(=O)c2ccccc2Cl)c2ncn(C(C)C)c2c1	ZINC000061949066	HJ	Annotated	Anodyne	 
CC[C@@H](CO)Oc1cc(NC(=O)c2ccc(Cl)cc2)c2ncn(C(C)C)c2c1	ZINC000061949079	HJ	Annotated	Anodyne	 
CC[C@H](CO)Oc1cc(NC(=O)c2ccc(Cl)cc2)c2ncn(C(C)C)c2c1	ZINC000061949082	HJ	Annotated	Anodyne	 
Cc1ccccc1NC1=Nc2ccccc2N[C@@]12C[C@@H]1CCN3C(=O)CC[C@H](C2)[C@H]13	ZINC000061958533	HJ	Annotated	Anodyne	 
N#C[C@H](Cc1cc2ccccc2n1S(=O)(=O)c1ccccc1)OCc1ccccc1	ZINC000061959096	HJ	Annotated	Mild	 
N#C[C@@H](Cc1cc2ccccc2n1S(=O)(=O)c1ccccc1)OCc1ccccc1	ZINC000061959098	HJ	Annotated	Mild	 
Cc1ccc2c(c1)C(=O)N1[C@H]3c4ccccc4OC[C@@H]3[C@H](c3ccccc3)[C@]1(C)C(=O)N2	ZINC000061959413	HJ	Annotated	Anodyne	 
Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3ccccc3C(=O)N12	ZINC000061959433	HJ	Annotated	Anodyne	 
C[C@@]12C(=O)N(c3ccccc3)C(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1	ZINC000061959815	HJ	Annotated	Anodyne	 
C[C@]12C(=O)N(c3ccccc3)C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1	ZINC000061959821	HJ	Annotated	Anodyne	 
C=CCn1c(N=Nc2c(O)[nH]c3ccc(Br)cc23)nc2ccccc2c1=O	ZINC000617960024	HJ	Annotated	Mild	
O=C(COc1ccc(Cl)cc1)N=Nc1c(O)[nH]c2ccc(Br)cc12	ZINC000617960078	HJ	Annotated	Clean	
O=C(COc1ccc(Br)cc1)N=Nc1c(O)[nH]c2ccc(Cl)cc12	ZINC000617960080	HJ	Annotated	Clean	
O=C(N=Nc1c(O)[nH]c2ccccc12)C1=NNC(c2ccccc2)(c2ccccc2)C1	ZINC000617960132	HJ	Annotated	Clean	
O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1cc(O)nc2ccccc12	ZINC000617960139	HJ	Annotated	Clean	
COc1ccc(OCC(=O)N=Nc2c(O)[nH]c3c(C)cc(Br)cc23)cc1	ZINC000617960156	HJ	Annotated	Clean	
O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2ccccc2)[nH]n1	ZINC000617960323	HJ	Annotated	Clean	
Cc1ccc(-c2csc(-n3nc(C)c(N=Nc4ccc(C(N)=O)cc4)c3O)n2)cc1	ZINC000617978365	HJ	Annotated	Clean	
Cc1nn(-c2nc(-c3ccccc3)cs2)c(O)c1N=Nc1ccc(C(N)=O)cc1	ZINC000617978374	HJ	Annotated	Clean	
CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(OC)c(OC)c1	ZINC000618005077	HJ	Annotated	Anodyne	
CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(OC)c(OC)c1	ZINC000618005080	HJ	Annotated	Anodyne	
Cc1ccc(-n2c(SCc3ccccc3F)nc3nncc-3c2O)cc1Cl	ZINC000618007508	HJ	Annotated	Anodyne	
Cc1cc(-n2c(SCc3ccccc3F)nc3nncc-3c2O)ccc1Cl	ZINC000618007529	HJ	Annotated	Anodyne	
COc1cc2c(cc1NC(=O)NCCSSCCN(C)C)oc1ccccc12	ZINC000618007628	HJ	Annotated	Reactive	
COc1cc2c(cc1NC(=O)CCSSCCN(C)C)oc1ccccc12	ZINC000618007890	HJ	Annotated	Reactive	
Cc1ccc(N2CCC(NC3CCN(C)CC3)CC2)cc1-c1cc2ccccc2[nH]1	ZINC000618009656	HJ	Annotated	Anodyne	
Cc1c(-c2cc3ccccc3[nH]2)cccc1N1CCC(NC2CCN(C)CC2)CC1	ZINC000618009787	HJ	Annotated	Anodyne	
Cc1ccc(Oc2ccc(C(=O)N(C)CCSSCCN(C)C)cc2)cc1	ZINC000618009882	HJ	Annotated	Reactive	
Cc1c(-c2cccc(N3CCC(NC4CCN(C)CC4)CC3)c2)[nH]c2ccccc12	ZINC000618010342	HJ	Annotated	Anodyne	
N#Cc1ccc2[nH]c(-c3cccc(N4CCC(NCc5cccnc5)CC4)c3)cc2c1	ZINC000618011647	HJ	Annotated	Mild	
CN1CCC(NC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1	ZINC000618011650	HJ	Annotated	Anodyne	
CC(C)N1CCN(C2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1	ZINC000618011655	HJ	Annotated	Anodyne	
Cc1ccc(N2CCC(NC3CCN(C)CC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1	ZINC000618011829	HJ	Annotated	Anodyne	
CCC[C@H]1O[C@H]2c3ccc4c(c3OC(C)(C)[C@@H]2C[C@@H]1C(=O)OCC)OC(C)(C)C4	ZINC000618016777	HJ	Annotated	Anodyne	
C[C@]12C[C@@H]3N[C@H]1CCC[C@H]2N(C(=O)c1cc2ccccc2o1)[C@H]3Cc1ccccc1	ZINC000618016945	HJ	Annotated	Anodyne	
COCCC(=O)N[C@@]1(C)C[C@H](c2cccc(C(F)(F)F)c2)O[C@@H]2C[C@H](C)CC[C@H]21	ZINC000618016993	HJ	Annotated	Anodyne	
C[C@@H]1CC[C@](C)(CNC(=O)CCCc2cn[nH]c2)C[C@H](c2ccccc2)C[C@@H](O)C1	ZINC000618017059	HJ	Annotated	Anodyne	
COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(-c2ccc(OC)c(OC)c2)oc1C	ZINC000621429855	HJ	Annotated	Anodyne	 
CC(C)Oc1ccc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)co2)cc1Cl	ZINC000621430205	HJ	Annotated	Anodyne	 
O[C@@H]1CN2CCCCCC/C=C\CCC3=C[C@H]4CN5CCC/C=C\CC[C@H]2[C@H]([C@@H]35)[C@H]14	ZINC000621430880	HJ	Annotated	Anodyne	 
O[C@H]1CN2CCCCCC/C=C\CCC3=C[C@H]4CN5CCC/C=C\CC[C@H]2[C@H]([C@@H]35)[C@H]14	ZINC000621430881	HJ	Annotated	Anodyne	 
O[C@H]1CN2CCCCCC/C=C\CCC3=C[C@H]4CN5CCC/C=C\CC[C@H]2[C@@H]([C@@H]14)[C@@H]35	ZINC000621430882	HJ	Annotated	Anodyne	 
O[C@@H]1CN2CCCCCC/C=C\CCC3=C[C@H]4CN5CCC/C=C\CC[C@H]2[C@@H]([C@@H]14)[C@@H]35	ZINC000621430883	HJ	Annotated	Anodyne	 
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12	ZINC000621434317	HJ	Annotated	Anodyne	 
O=C(Nc1cccc(-c2ccco2)c1)C1CCN(C(=O)c2cc3c(s2)CCC3)CC1	ZINC000621476170	HJ	Annotated	Anodyne	 
CN(C(=O)c1cc(-c2ccco2)on1)c1cnn(Cc2ccc(Cl)cc2Cl)c1	ZINC000621476548	HJ	Annotated	Anodyne	 
Cc1cc(OCc2noc(C[C@H]3C=CCCC3)c2-c2cccnc2)ccc1C#CCO	ZINC000621485940	HJ	Annotated	Mild	 
Cc1cc(OCc2noc(C[C@@H]3C=CCCC3)c2-c2cccnc2)ccc1C#CCO	ZINC000621485941	HJ	Annotated	Mild	 
CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3sccc3n2)cc1	ZINC000063539194	HJ	Annotated	Anodyne	
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1	ZINC000063539677	HJ	Annotated	Bother	
COC(=O)[C@@H]1[C@H](C)Sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21	ZINC000064321172	HJ	Annotated	Anodyne	
N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@H]1c1ccc(Br)cc1	ZINC000064372899	HJ	Annotated	Reactive	
CN(C)C12C[C@H](c3ccccc3)C([C@H](NCCN3CCCC3)C1)[C@H](c1ccccc1)C2	ZINC000064372989	HJ	Annotated	Anodyne	
CN(C)C12C[C@@H](NCCN3CCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2	ZINC000064372990	HJ	Annotated	Anodyne	 
CN(C)C12C[C@H](c3ccccc3)C([C@@H](c3ccccc3)C1)[C@H](NCCN1CCCC1)C2	ZINC000064372992	HJ	Annotated	Anodyne	
CN(C)C12C[C@H](c3ccccc3)C([C@H](NCN3CCCC3)C1)[C@H](c1ccccc1)C2	ZINC000064373277	HJ	Annotated	Anodyne	
CN(C)C12C[C@@H](NCN3CCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2	ZINC000064373280	HJ	Annotated	Anodyne	 
CN(C)C12C[C@H](c3ccccc3)C([C@@H](c3ccccc3)C1)[C@H](NCN1CCCC1)C2	ZINC000064373281	HJ	Annotated	Anodyne	
N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@H]1c1cccc(Br)c1	ZINC000064373481	HJ	Annotated	Reactive	
Cc1nc(Sc2nccn2-c2cc(Cl)ccc2Cl)c(C(=O)O)cc1C#N	ZINC000064393104	HJ	Annotated	Mild	
COc1ccc(-c2c(-c3cc(Br)c(OC)c(OC)c3)ncn2C)cc1F	ZINC000064415749	HJ	Annotated	Anodyne	
O=C(O)c1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)cc1	ZINC000064436550	HJ	Annotated	Clean	
Cc1ccccc1C(=O)n1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21	ZINC000064437194	HJ	Annotated	Clean	
Cc1ccccc1C(=O)n1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21	ZINC000064437196	HJ	Annotated	Clean	
O=C(O)c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)cc1	ZINC000064447028	HJ	Annotated	Clean	
COc1ccc(-c2csc3nnc(Cc4ccc(Cl)cc4Cl)c(=O)n23)cc1	ZINC000064447357	HJ	Annotated	Anodyne	
CC[N+](CC)(CCCNC(=O)c1nccc2c1[nH]c1ccccc12)Cc1ccccc1	ZINC000064447941	HJ	Annotated	Bother	
Cc1ccccc1Cc1cc2c(N(C)c3cccc(Br)c3)nc(N)nc2[nH]1	ZINC000064451018	HJ	Annotated	Anodyne	
CCOP(=O)(/C=C\c1cc2c(s1)=C(C)O[P@@](=O)(OCC)C=2C)OCC	ZINC000064454210	HJ	Annotated	Anodyne	
CCOP(=O)(/C=C\c1cc2c(s1)=C(C)O[P@](=O)(OCC)C=2C)OCC	ZINC000064454212	HJ	Annotated	Anodyne	
CO[C@@H]1CC=C2NN(c3cc(Cl)cc(Cl)c3)C(=O)CC[C@]2(c2ccccc2)O1	ZINC000064466737	HJ	Annotated	Anodyne	
CN(c1cccc(Br)c1)c1nc(N)nc2c1cc(Cc1ccccc1)n2C	ZINC000064468884	HJ	Annotated	Anodyne	
O=S1(=O)N=C(Sc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21	ZINC000064474585	HJ	Annotated	Anodyne	
CC(C)(C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(F)cc2c1OCC2	ZINC000064491759	HJ	Annotated	Anodyne	
CC(C)(C[C@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(F)cc2c1OCC2	ZINC000064491760	HJ	Annotated	Anodyne	
C[C@@H]1CC[C@@H]2C(=O)O[C@H](Cc3ccccc3)CN2[C@@H]1c1ccc(Br)cc1	ZINC000064502280	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@@H]2C(=O)O[C@H](Cc3ccccc3)CN2[C@@H]1c1ccc(Br)cc1	ZINC000064502281	HJ	Annotated	Anodyne	 
C[C@@H]1CC[C@H]2C(=O)O[C@H](Cc3ccccc3)CN2[C@@H]1c1ccc(Br)cc1	ZINC000064502282	HJ	Annotated	Anodyne	 
C[C@H]1CC[C@H]2C(=O)O[C@H](Cc3ccccc3)CN2[C@@H]1c1ccc(Br)cc1	ZINC000064502283	HJ	Annotated	Anodyne	 
O=c1nc(Nc2ccccc2-c2ccccc2)nc(NCc2ccc3cc[nH]c3c2)[nH]1	ZINC000064503660	HJ	Annotated	Anodyne	
O=C(c1c(Oc2cccc(F)c2)n(-c2ccccc2)c2ccccc12)N1CCNCC1	ZINC000064503995	HJ	Annotated	Anodyne	
Cc1ccc(/C=C2/N=C(c3ccccc3)N(C(=O)c3ccc(Cl)cc3)NC2=O)cc1	ZINC000064510763	HJ	Annotated	Clean	
COc1ccc2cc(-c3ccc([C@@]4(O)CN(C)[C@H]5CCCC[C@@H]5O4)cc3)ccc2c1	ZINC000064512952	HJ	Annotated	Anodyne	
COc1ccc2cc(-c3ccc([C@]4(O)CN(C)[C@H]5CCCC[C@@H]5O4)cc3)ccc2c1	ZINC000064512953	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cnc(-n2ccnc2-c2ccccc2)nc1Nc1ccc2ncsc2c1	ZINC000064516562	HJ	Annotated	Bother	
O=[N+]([O-])c1cnc(Nc2ccc3[nH]ccc3c2)nc1Nc1ccc2ncsc2c1	ZINC000064516593	HJ	Annotated	Bother	
Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)c2[nH]c(C(C)(C)C)nc2c1C#N	ZINC000064526620	HJ	Annotated	Mild	
O=c1nc(Nc2cccc(Oc3ccccc3)c2)nc(NCc2ccc3cc[nH]c3c2)[nH]1	ZINC000064527096	HJ	Annotated	Anodyne	
Cc1cccc(-c2ccccc2)c1Nc1nc(NCc2ccc3cc[nH]c3c2)[nH]c(=O)n1	ZINC000064527722	HJ	Annotated	Anodyne	
O=C(Cc1ccc2c(c1)OCO2)Nc1cccc(COc2cccc3scnc23)c1	ZINC000064528426	HJ	Annotated	Anodyne	
O=C(OCC#CCSc1nnc(-c2ccc3ccccc3c2)o1)c1ccc(F)cc1	ZINC000064528496	HJ	Annotated	Mild	
O=C1OC2(CCC(CNc3ccc(-c4nccs4)cn3)CC2)CN1c1ccccn1	ZINC000064538983	HJ	Annotated	Anodyne	
Cc1ccccc1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1	ZINC000064539138	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@H](C)N(c1nc(C(=O)c3ccc(F)cc3)nc(C)c1C)CC2	ZINC000064539269	HJ	Annotated	Anodyne	
COc1ccc2c(c1)[C@@H](C)N(c1nc(C(=O)c3ccc(F)cc3)nc(C)c1C)CC2	ZINC000064539270	HJ	Annotated	Anodyne	
Cc1ccc(CNCC2(F)CCN(C(=O)c3ccccc3-c3ccccc3)CC2)nc1	ZINC000064548623	HJ	Annotated	Anodyne	
Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(-c4ccccc4)s3)CC2)nc1	ZINC000064548658	HJ	Annotated	Anodyne	
COc1ccc2ccccc2c1S(=O)(=O)Nc1ccc2[nH]c3ccncc3c2c1	ZINC000064548702	HJ	Annotated	Anodyne	
CC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)nc(NCCN(C)C)n2)s1	ZINC000064549006	HJ	Annotated	Anodyne	
COc1c(F)c(F)cc2c(=O)c(-c3nnc(Nc4ccccc4C)o3)cn(C3CC3)c12	ZINC000064549046	HJ	Annotated	Anodyne	
COc1cccc2c(C(=O)N3C[C@H]4CCCN4CC3(C)C)cn(CC3CCCCC3)c12	ZINC000064549450	HJ	Annotated	Anodyne	
COc1cccc2c(C(=O)N3C[C@@H]4CCCN4CC3(C)C)cn(CC3CCCCC3)c12	ZINC000064549451	HJ	Annotated	Anodyne	
Cc1nc(C(=O)N2CCCC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)cs1	ZINC000064549461	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1	ZINC000064549501	HJ	Annotated	Mild	
CC(C)(C)OC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1	ZINC000064549502	HJ	Annotated	Mild	
CC(C)(C)OC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1	ZINC000064549503	HJ	Annotated	Mild	
CC(C)(C)OC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1	ZINC000064549504	HJ	Annotated	Mild	
CCn1c(S)nnc1-c1ccc(Nc2ccccc2-c2n[nH]c(=S)n2CC)cc1	ZINC000064553025	HJ	Annotated	Anodyne	
Cc1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3ccc(F)cc3s2)cc1	ZINC000064553847	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])c(Sc3cccc(Cl)c3)n2)cc1	ZINC000064553951	HJ	Annotated	Bother	
COc1ccc(C(=O)/C=C/c2cc(C=O)c(O)c3ccc4c(C)cc(=O)oc4c23)cc1	ZINC000064559165	HJ	Annotated	Mild	
O=C1c2ccccc2CC[C@]12[C@H]1c3ccccc3OC[C@H]1N1Cc3ccccc3C[C@@H]12	ZINC000064559264	HJ	Annotated	Anodyne	
Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cc5Cl)cc4=O)cc31)CNCC2	ZINC000064559656	HJ	Annotated	Anodyne	
Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)cc31)CNCC2	ZINC000064559692	HJ	Annotated	Anodyne	
O=C(c1ccc2occc2c1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1	ZINC000064560125	HJ	Annotated	Anodyne	
COc1c(F)c(F)cc2c(=O)c(-c3nnc(Nc4cccc(C)c4)o3)cn(C3CC3)c12	ZINC000064560510	HJ	Annotated	Anodyne	
COc1cccc2c(C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)cn(CC3CCCCC3)c12	ZINC000064560559	HJ	Annotated	Anodyne	
COc1cccc2c(C(=O)N3C[C@H]4CCCN4C[C@H]3C)cn(CC3CCCCC3)c12	ZINC000064560772	HJ	Annotated	Anodyne	
CCOC(=O)c1nn(-c2ccc(C)cc2)c2nc3sc4c(c3c(=S)n12)CCCC4	ZINC000064564354	HJ	Annotated	Anodyne	
COc1cccc2c(C(=O)N3C[C@H]4CCCN4C[C@@H]3C)cn(CC3CCCCC3)c12	ZINC000064573080	HJ	Annotated	Anodyne	
COc1cccc2c(C(=O)N3C[C@@H]4CCCN4C[C@H]3C)cn(CC3CCCCC3)c12	ZINC000064573082	HJ	Annotated	Anodyne	
CCCCCCCCCC[C@H](N)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1	ZINC000064573101	HJ	Annotated	Mild	
CCCCCCCCCC[C@@H](N)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1	ZINC000064573104	HJ	Annotated	Mild	
C[n+]1c2cc(Cl)ccc2c(NC2CCNCC2)c2[nH]c3cc(Cl)ccc3c21	ZINC000064573190	HJ	Annotated	Bother	
O=C(NN=C1[C@H]2CCC[C@@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1)c1ccncc1	ZINC000064573209	HJ	Annotated	Reactive	
O=C(NN=C1[C@H]2CCC[C@@H]1[C@@H](c1ccccc1)N[C@H]2c1ccccc1)c1ccncc1	ZINC000064573211	HJ	Annotated	Reactive	
C[C@H]1N(P(=O)(c2ccccc2)c2ccccc2)C[C@@](O)(c2ccccc2)CC12CC2	ZINC000064645708	HJ	Annotated	Reactive	 
C[C@@H]1N(P(=O)(c2ccccc2)c2ccccc2)C[C@@](O)(c2ccccc2)CC12CC2	ZINC000064645710	HJ	Annotated	Reactive	 
C[C@@H]1N(P(=O)(c2ccccc2)c2ccccc2)C[C@](O)(c2ccccc2)CC12CC2	ZINC000064645713	HJ	Annotated	Reactive	 
O=C1CCCC2=C1[C@@]1(CC[C@@H](c3ccccc3)C1)N=C(Nc1nc3ccccc3o1)N2	ZINC000064705082	HJ	Annotated	Mild	
O=C1CCCC2=C1[C@@]1(CC[C@H](c3ccccc3)C1)N=C(Nc1nc3ccccc3o1)N2	ZINC000064705083	HJ	Annotated	Mild	
CN1CCc2c(n(C)c3cc(-n4ccc(-c5ccc(Cl)cc5)cc4=O)ccc23)C1	ZINC000064746290	HJ	Annotated	Anodyne	
Cc1ccccc1CSc1nc2n(n1)[C@H](c1cccs1)[C@@H]1C(=O)CCCC1=N2	ZINC000006506320	HJ	Annotated	Anodyne	
Cc1ccccc1CSc1nc2n(n1)[C@@H](c1cccs1)[C@H]1C(=O)CCCC1=N2	ZINC000006506322	HJ	Annotated	Anodyne	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc3ccccc3nc1Cl)NC(=S)N2	ZINC000006521038	HJ	Annotated	Anodyne	
Cc1nn(-c2ccccc2)c2c1[C@H](c1cc3ccccc3nc1Cl)NC(=S)N2	ZINC000006521040	HJ	Annotated	Anodyne	
Cc1cc2c(c(/C=N/Cc3ccccc3)c1)O[C@@]1(C=C2)Oc2ccccc2C(=O)N1C	ZINC000006522160	HJ	Annotated	Mild	
Cc1cc2c(c(/C=N/c3ccccc3O)c1)O[C@@]1(C=C2)Oc2ccccc2C(=O)N1C	ZINC000006522161	HJ	Annotated	Mild	
Cc1ccc(S(=O)(=O)n2ccc([C@H](O)c3ccc(Cl)cc3Cl)c2)c(C)c1	ZINC000006522303	HJ	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)n2ccc([C@@H](O)c3ccc(Cl)cc3Cl)c2)c(C)c1	ZINC000006522304	HJ	Annotated	Anodyne	
C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)CS2	ZINC000006522436	HJ	Annotated	Anodyne	 
C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)CS2	ZINC000006522532	HJ	Annotated	Anodyne	 
C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)CS2	ZINC000006525476	HJ	Annotated	Anodyne	 
C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)CS2	ZINC000006525495	HJ	Annotated	Anodyne	 
Cn1c(O)c(/N=N\C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21	ZINC000006566865	HJ	Annotated	Clean	
CCOc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)cc1	ZINC000006725259	HJ	Annotated	Anodyne	 
CCOc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)cc1	ZINC000006725260	HJ	Annotated	Anodyne	 
CCOc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)cc1	ZINC000006725261	HJ	Annotated	Anodyne	 
CCOc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)cc1	ZINC000006725262	HJ	Annotated	Anodyne	 
CCN(CCCNC(=O)c1cc2cc3ccc(C)cc3nc2o1)Cc1ccccc1	ZINC000006730561	HJ	Annotated	Anodyne	 
O=C(CCc1nc2cccnc2n1-c1ccccc1)N1CC=C(c2ccccc2)CC1	ZINC000006737698	HJ	Annotated	Anodyne	 
CCOC(=O)c1ccc(N(Cc2cccc(F)c2)C(=O)C2=C(C)OCCS2)cc1	ZINC000006750783	HJ	Annotated	Anodyne	
Cc1ccsc1CCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1	ZINC000006769986	HJ	Annotated	Anodyne	 
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccnc2)[C@H]1c1cccs1	ZINC000006783275	HJ	Annotated	Anodyne	 
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccnc2)[C@@H]1c1cccs1	ZINC000006783276	HJ	Annotated	Anodyne	 
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)[C@H]1c1cccs1	ZINC000006783278	HJ	Annotated	Anodyne	 
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)[C@@H]1c1cccs1	ZINC000006783279	HJ	Annotated	Anodyne	 
CN(c1nnc(NC(=O)Nc2ccc(Br)cc2)s1)C1CCCCC1	ZINC000006792888	HJ	Annotated	Anodyne	 
CCc1cccc(C)c1NC(=O)CN1C(=O)c2ccccc2Sc2ncccc21	ZINC000006797027	HJ	Annotated	Anodyne	 
CCOc1ccc(CCNC(=O)c2cc3sc(CC)cc3n2C)cc1OCC	ZINC000006804740	HJ	Annotated	Anodyne	 
O=S(=O)(CC/C(O)=N/c1cccc(Cl)c1)c1ccc(Br)s1	ZINC000006818522	HJ	Annotated	Anodyne	 
CC[C@@H](C(=O)Nc1ccccc1OC)n1c(C(=O)OC)cc2sc(Cl)cc21	ZINC000006820516	HJ	Annotated	Anodyne	 
CC[C@H](C(=O)Nc1ccccc1OC)n1c(C(=O)OC)cc2sc(Cl)cc21	ZINC000006820519	HJ	Annotated	Anodyne	 
O=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)NCc1ccccn1	ZINC000006858030	HJ	Annotated	Anodyne	 
CN1C(=O)c2ccccc2[C@H](C(=O)N2CC[C@H](c3ccccc3)C2)[C@H]1c1cccs1	ZINC000006875476	HJ	Annotated	Anodyne	 
CN1C(=O)c2ccccc2[C@H](C(=O)N2CC[C@H](c3ccccc3)C2)[C@@H]1c1cccs1	ZINC000006875478	HJ	Annotated	Anodyne	 
Cc1cc(C)c(NC(=O)CN2C(=O)c3cccnc3Oc3ccc(C)cc32)c(C)c1	ZINC000006878050	HJ	Annotated	Anodyne	
COC(=O)c1c(NC(C)=O)c2c3c(sc2n1Cc1cc(C)ccc1C)CCCC3	ZINC000006878168	HJ	Annotated	Anodyne	
S=c1[nH]nc(Cc2ccc(Br)cc2)n1/N=C/c1ccc(Cl)cc1	ZINC000006883225	HJ	Annotated	Mild	 
CCc1ccccc1NC(=O)[C@@H](C)n1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21	ZINC000006916477	HJ	Annotated	Anodyne	
CCc1ccccc1NC(=O)[C@H](C)n1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21	ZINC000006916481	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(F)c(/C(O)=N/CCC3=CCCCC3)c2)C1	ZINC000006919242	HJ	Annotated	Mild	 
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(F)c(/C(O)=N/CCC3=CCCCC3)c2)C1	ZINC000006919244	HJ	Annotated	Mild	 
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(F)c(/C(O)=N/CCC3=CCCCC3)c2)C1	ZINC000006919248	HJ	Annotated	Mild	 
C[C@@H]1CCC[C@@H](NC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H]1C	ZINC000006930483	HJ	Annotated	Anodyne	 
C[C@@H]1CCC[C@H](N(Cc2ccco2)C(=O)Nc2cn(C)c(=O)c3ccccc23)[C@@H]1C	ZINC000006932453	HJ	Annotated	Anodyne	 
C[C@@H]1CCC[C@@H](N(Cc2ccco2)C(=O)Nc2cn(C)c(=O)c3ccccc23)[C@@H]1C	ZINC000006932469	HJ	Annotated	Anodyne	 
C[C@H]1CCC[C@H](NC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H]1C	ZINC000006932595	HJ	Annotated	Anodyne	 
C[C@H]1CCC[C@@H](NC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H]1C	ZINC000006932626	HJ	Annotated	Anodyne	 
CCOC(=O)c1cc(C)n(CC2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1C	ZINC000006942014	HJ	Annotated	Anodyne	 
COC(=O)Cc1nc(NCc2ccc(Cl)cc2)c2c3c(sc2n1)CCCC3	ZINC000006947378	HJ	Annotated	Anodyne	 
Fc1ccc([C@@H](F)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c(F)c1	ZINC000653663520	HJ	Annotated	Anodyne	
C[C@H]1CCc2cc(-c3cnc4ccccc4n3)ccc2N1C(=O)c1ccc(O)cc1O	ZINC000653663542	HJ	Annotated	Anodyne	
CCNc1ccc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c(C)n1	ZINC000653665220	HJ	Annotated	Anodyne	
Cc1nc(NC[C@@H]2CCCN(C(=O)C3CCC3)C2)cc(-c2ccc3ncsc3c2)n1	ZINC000653665406	HJ	Annotated	Anodyne	
Cc1nc(NC[C@H]2CCCN(C(=O)C3CCC3)C2)cc(-c2ccc3ncsc3c2)n1	ZINC000653665407	HJ	Annotated	Anodyne	
Cc1cc2nc(NC3CC3)c(N3CCC(Cc4ccc(F)cc4F)CC3)nc2cn1	ZINC000653665413	HJ	Annotated	Anodyne	
Cc1cccnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1	ZINC000653666593	HJ	Annotated	Anodyne	
COc1cc(OC(C)C)c2cc(-c3cn4nc(Br)sc4n3)oc2c1	ZINC000653667553	HJ	Annotated	Anodyne	
CCc1nn2cc(-c3nc4ccc(OCc5ccc(OC)cc5)cc4o3)nc2s1	ZINC000653667560	HJ	Annotated	Anodyne	
COc1ccc(OC)c(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c1	ZINC000653669365	HJ	Annotated	Anodyne	
Cc1nccc2nc(NC3CC3)c(N3CCC(Cc4ccc(F)cc4F)CC3)nc12	ZINC000653670663	HJ	Annotated	Anodyne	
Cc1nc(N[C@H](C)c2cccc(NC(N)=O)c2)cc(-c2ccc3ncsc3c2)n1	ZINC000653671241	HJ	Annotated	Anodyne	
Cc1nc(N[C@@H](C)c2cccc(NC(N)=O)c2)cc(-c2ccc3ncsc3c2)n1	ZINC000653671242	HJ	Annotated	Anodyne	
C[C@H]1CCc2cc(-c3ncnc4ccsc34)ccc2N1C(=O)c1ccc(O)cc1O	ZINC000653671922	HJ	Annotated	Anodyne	
C[C@@H]1CCc2cc(-c3ncccc3C#N)ccc2N1C(=O)c1cc(Cl)c(O)cc1O	ZINC000653672752	HJ	Annotated	Mild	
C[C@H]1CCc2cc(-c3ncccc3C#N)ccc2N1C(=O)c1cc(Cl)c(O)cc1O	ZINC000653672753	HJ	Annotated	Mild	
CC(=O)N1CCOc2ccc(-c3cc(N[C@@H]4CCCc5ccccc54)nc(C)n3)cc21	ZINC000653672885	HJ	Annotated	Anodyne	
C[C@H]1CCc2cc(-c3nncc4ccccc34)ccc2N1C(=O)c1ccc(O)cc1O	ZINC000653675515	HJ	Annotated	Anodyne	
Cc1cc(C(F)(F)F)c2cc(-c3cn4nc(Br)sc4n3)oc2n1	ZINC000653676831	HJ	Annotated	Anodyne	
Cc1cncnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1	ZINC000653676841	HJ	Annotated	Anodyne	
Cc1c(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)ccc2n[nH]cc12	ZINC000653677661	HJ	Annotated	Anodyne	
C[C@H]1CCc2cc(-c3nccc4occc34)ccc2N1C(=O)c1ccc(O)cc1O	ZINC000653678774	HJ	Annotated	Anodyne	
C[C@H]1CCc2cc(-c3cc4occc4cn3)ccc2N1C(=O)c1ccc(O)cc1O	ZINC000653680387	HJ	Annotated	Anodyne	
Fc1ccc(F)c([C@@H](F)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1	ZINC000653680390	HJ	Annotated	Anodyne	
Fc1ccc(F)c([C@H](F)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1	ZINC000653680391	HJ	Annotated	Anodyne	
Cc1nccnc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1	ZINC000653680472	HJ	Annotated	Anodyne	
Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N)nc3)c2)cc(-c2ccc(F)c(F)c2)n1	ZINC000653681032	HJ	Annotated	Anodyne	
Cc1nc(N[C@H](C)c2cccc(C(=N)NO)c2)cc(-c2ccc3ncsc3c2)n1	ZINC000653681065	HJ	Annotated	Anodyne	
Cc1nc(N[C@@H](C)c2cccc(C(=N)NO)c2)cc(-c2ccc3ncsc3c2)n1	ZINC000653681066	HJ	Annotated	Anodyne	
Cc1nccnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1	ZINC000653685061	HJ	Annotated	Anodyne	
CCCOCCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2cccc(F)c2)c1C	ZINC000653693473	HJ	Annotated	Clean	
Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(-n2cccn2)cc1	ZINC000653693911	HJ	Annotated	Bother	
O=C(c1cccs1)c1cc2c(s1)C(=O)c1c(Br)cccc1C2=O	ZINC000653696841	HJ	Annotated	Clean	
COC(=O)c1cccc(-c2cc3c(=N[C@H](C)c4ccccc4)nc[nH]c3s2)c1OC	ZINC000653697803	HJ	Annotated	Anodyne	
COc1ccccc1COc1ccccc1-c1ccn([C@H]2CCCC[C@@H]2O)c(=O)c1	ZINC000653697845	HJ	Annotated	Anodyne	
O=C(NCCCCCCS)c1cc(-c2ccc(F)cc2)n(Cc2ccccc2)n1	ZINC000653699890	HJ	Annotated	Mild	
CSCCCc1nc2nc(C(=O)c3ccccc3)c(-c3ccccc3)c-2c(O)[nH]1	ZINC000653700309	HJ	Annotated	Anodyne	
N#Cc1ccc(-c2cc(OCC3CCNCC3)cnc2-c2ccc(F)cc2F)cc1	ZINC000653700777	HJ	Annotated	Mild	
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1C3CCC1CC3)c1ccccc1CC2	ZINC000653701088	HJ	Annotated	Anodyne	
Cc1sc(NN2C(=O)c3ccccc3C2=O)nc1-c1ccc(Br)cc1	ZINC000653704205	HJ	Annotated	Anodyne	
COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)N/N=C/c1ccco1	ZINC000653705923	HJ	Annotated	Reactive	
S=C(NCc1cccnc1)SCCc1nnc(-c2cc3ccccc3s2)o1	ZINC000653706712	HJ	Annotated	Clean	
O=C(/C=C/C=C/c1ccccc1)NCCCN=c1c2c([nH]c3ccccc13)CCCC2	ZINC000653707669	HJ	Annotated	Anodyne	
COc1ccc(-c2ccc([C@@H](O)Cc3cc(OC)c(OC)cc3[N+](=O)[O-])cc2)cc1	ZINC000653708487	HJ	Annotated	Bother	
COc1ccc(-c2ccc([C@H](O)Cc3cc(OC)c(OC)cc3[N+](=O)[O-])cc2)cc1	ZINC000653708488	HJ	Annotated	Bother	
O=C1Nc2cc(-n3cnc(Cl)c3)ccc2Nc2nc(Cc3ccccc3)ccc21	ZINC000653709005	HJ	Annotated	Anodyne	
FC(F)(F)c1ccc(-c2nnc(CCSC(=S)NCc3cccnc3)o2)cc1	ZINC000653709021	HJ	Annotated	Clean	
COc1ccc(Cc2nc3c(o2)CCc2cc(-c4ccnc(C)c4)ccc2C3=O)cc1	ZINC000653709025	HJ	Annotated	Anodyne	
C[C@H](Sc1ncccn1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1	ZINC000653709061	HJ	Annotated	Anodyne	
C[C@@H](Sc1ncccn1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1	ZINC000653709062	HJ	Annotated	Anodyne	
COc1ccc(Cc2nc3c(n2C)CCc2cc(-c4ccnc(C)c4)ccc2C3=O)cc1	ZINC000653709063	HJ	Annotated	Anodyne	
CC(C)Cc1ccc([C@H](C)c2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)cc1	ZINC000653709706	HJ	Annotated	Bother	
CC(C)Cc1ccc([C@@H](C)c2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)cc1	ZINC000653709707	HJ	Annotated	Bother	
CCCCCCCCCC(=O)C[C@@H]1C2=COC(C[C@H](C)O)=CC2=CC(=O)[C@]1(C)O	ZINC000653710195	HJ	Annotated	Mild	
CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)COC1CCC1)c1ccccc1CC2	ZINC000653710226	HJ	Annotated	Anodyne	
O=C(Nc1ccc2c(c1)N(C(=O)Cn1cccc1)c1ccccc1CC2)OC1CC1	ZINC000653710281	HJ	Annotated	Anodyne	
O=C(O)COC1CCC(=CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000653711403	HJ	Annotated	Anodyne	
O=C(Oc1ccccc1)c1cc2c(s1)C(=O)c1c(Br)cccc1C2=O	ZINC000653713054	HJ	Annotated	Clean	
Cc1c2cc(-n3ccc(OCc4ccc(C(F)(F)F)s4)cc3=O)ccc2nn1C	ZINC000653714298	HJ	Annotated	Anodyne	
Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4csc(C(=O)O)c4)CC[C@@H]32)ccc1Cl	ZINC000653714951	HJ	Annotated	Anodyne	
Cc1c(C2CC2)nc2ccc(-n3cccc(OCc4ccc(Cl)cc4)c3=O)cn12	ZINC000653716378	HJ	Annotated	Anodyne	
CCNS(=O)(=O)c1ccc(NC2CCCCCCC2)c(NCc2ccncc2)c1	ZINC000653717821	HJ	Annotated	Anodyne	
CC(C)(C)NS(=O)(=O)c1ccc(NC2CCCCC2)c(NCc2ccncc2)c1	ZINC000653718812	HJ	Annotated	Anodyne	
CC(C)(C)[Si](C)(C)N1C(=O)C[C@H]1N(OCc1ccccc1)C(=O)c1ccccc1	ZINC000653720234	HJ	Annotated	Anodyne	
CC(C)(C)[Si](C)(C)N1C(=O)C[C@@H]1N(OCc1ccccc1)C(=O)c1ccccc1	ZINC000653720235	HJ	Annotated	Anodyne	
Nc1ncnc2c1ncn2CCCCOc1ccc(-c2cc(=S)ss2)cc1	ZINC000653720276	HJ	Annotated	Anodyne	
Cc1cccc(Cc2cc(=O)n3c(c2C2CC2)SC[C@H]3C(=O)Nc2ccccc2)c1	ZINC000653721453	HJ	Annotated	Anodyne	
Cc1cccc(Cc2cc(=O)n3c(c2C2CC2)SC[C@@H]3C(=O)Nc2ccccc2)c1	ZINC000653721454	HJ	Annotated	Anodyne	
O=C(Nc1ccccc1)[C@H]1CSc2c(C3CC3)c(Cc3ccccc3)cc(=O)n21	ZINC000653721466	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2C(=O)c3ccc(OC)cc3[C@H]2c2cc(OC)cc(OC)c2)cc1	ZINC000653721771	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)CCc2nnc(-c3cc(CC(C)C)on3)n2C2CC2)c(C)c1	ZINC000653723364	HJ	Annotated	Anodyne	
COc1cc(OC)cc([C@@H]2C(=O)c3cc(OC)cc(OC)c3[C@H]2c2ccc(O)cc2)c1	ZINC000653725574	HJ	Annotated	Anodyne	 
COc1cc(OC)cc([C@@H]2[C@H](O)c3cc(OC)cc(OC)c3[C@@H]2c2ccccc2)c1	ZINC000653727788	HJ	Annotated	Anodyne	
COc1cc(OC)cc([C@@H]2C(=O)c3cc(OC)cc(OC)c3[C@H]2c2cccc(F)c2)c1	ZINC000653733739	HJ	Annotated	Anodyne	
COc1cccc(/C=C2\CN(C)C/C(=C\c3cccc(OC)c3Cl)C2=O)c1Cl	ZINC000653735438	HJ	Annotated	Mild	
CCOc1cc(N2CCN(CCc3ccccc3Cl)C2=O)ccc1-c1cn[nH]c1	ZINC000653735539	HJ	Annotated	Anodyne	
COc1cccc(/C=C2\CNC/C(=C\c3cccc(OC)c3Cl)C2=O)c1Cl	ZINC000653737408	HJ	Annotated	Mild	
C[C@@H]1Cc2cc(O)ccc2[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F	ZINC000653739103	HJ	Annotated	Anodyne	
C[C@H](CF)CN1[C@H](c2c(F)cc(/C=C/C(=O)O)cc2F)c2ccc(O)cc2C[C@H]1C	ZINC000653739114	HJ	Annotated	Anodyne	
CCCn1c(SCC(=O)c2cccs2)nc2sc3c(c2c1=O)CCCC3	ZINC000653739223	HJ	Annotated	Anodyne	
O=C(CSc1nc2sc3c(c2c(=O)n1C1CC1)CCCC3)c1cccs1	ZINC000653739286	HJ	Annotated	Anodyne	
O=C(CSc1nc2sc3c(c2c(=O)n1CC1CC1)CCCC3)c1cccs1	ZINC000653739307	HJ	Annotated	Anodyne	
Oc1ccc2oc(-c3cc(I)c(O)c4ncccc34)cc2c1	ZINC000653751695	HJ	Annotated	Anodyne	
Oc1ccc2cc(-c3cc(I)c(O)c4ncccc34)oc2c1	ZINC000653751705	HJ	Annotated	Anodyne	
Fc1ccc(Oc2ccc(-c3noc(-c4n[nH]cc4Br)n3)cc2)cc1F	ZINC000653753996	HJ	Annotated	Anodyne	
COc1cc(N2CCN(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1-c1cn[nH]c1	ZINC000653755987	HJ	Annotated	Anodyne	
COc1ccccc1NC(=O)C1CCN(C(=O)[C@H](C)c2ccc(CC(C)C)cc2)CC1	ZINC000653757873	HJ	Annotated	Anodyne	
N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)c1ccccc1	ZINC000653758335	HJ	Annotated	Anodyne	
Cc1ccnnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1	ZINC000653760614	HJ	Annotated	Anodyne	
COc1ccc(COc2cccc3oc(-c4cn5nc(SC)sc5n4)nc23)cc1	ZINC000653760649	HJ	Annotated	Anodyne	
COc1nn2cc(-c3cc4c(OCc5cccc(C#N)c5)cccc4o3)nc2s1	ZINC000653763863	HJ	Annotated	Mild	
CSc1nn2cc(-c3nc4c(OCc5cccc(C#N)c5)cccc4o3)nc2s1	ZINC000653764992	HJ	Annotated	Mild	
CC(C)c1csc2ncnc(N3[C@H]4CC[C@H]3CC(COCCN3CCCC3)C4)c12	ZINC000653765567	HJ	Annotated	Anodyne	
COc1ccc([C@H](C)[C@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC	ZINC000653767420	HJ	Annotated	Anodyne	
COc1ccc([C@H](C)[C@@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC	ZINC000653767421	HJ	Annotated	Anodyne	
COc1ccc([C@@H](C)[C@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC	ZINC000653767422	HJ	Annotated	Anodyne	
COc1ccc([C@@H](C)[C@@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC	ZINC000653767423	HJ	Annotated	Anodyne	
COc1ccc(COc2ccc3nc(-c4cn5nc(SC)sc5n4)oc3c2)cc1	ZINC000653769229	HJ	Annotated	Anodyne	
ClC1=C(Cn2cc(COc3cccc4cccnc34)nn2)CCOc2ccccc21	ZINC000653773199	HJ	Annotated	Anodyne	
CCc1nn2c(-c3ccc(F)cc3)c(-c3cc(OC)c(OC)c(OC)c3)nc2s1	ZINC000653779478	HJ	Annotated	Anodyne	
Cc1cc(=O)oc2c1ccc1oc(=N)c(C(=O)NCc3ccc(C(C)(C)C)cc3)cc12	ZINC000653782763	HJ	Annotated	Bother	
Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@H]3c3ccncc3)nc(Cl)c2C)s1	ZINC000653782782	HJ	Annotated	Anodyne	
Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@H]3c3ccncc3)nc(Cl)c2C)s1	ZINC000653782783	HJ	Annotated	Anodyne	
Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccncc3)nc(Cl)c2C)s1	ZINC000653782784	HJ	Annotated	Anodyne	
Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@@H]3c3ccncc3)nc(Cl)c2C)s1	ZINC000653782785	HJ	Annotated	Anodyne	
Cc1ccc(-c2nn(-c3nc(-c4cc5ccccc5oc4=O)cs3)cc2C=O)cc1	ZINC000653784869	HJ	Annotated	Anodyne	
CS(=O)(=O)c1ccc([C@H](CC2CCCC2)c2nc3cccnc3[nH]2)cc1Cl	ZINC000653784981	HJ	Annotated	Anodyne	
CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)c2nc3cccnc3[nH]2)cc1Cl	ZINC000653784982	HJ	Annotated	Anodyne	
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCCC1)c1ccccc1CC2	ZINC000653786714	HJ	Annotated	Anodyne	
CC[C@H](C)Cn1c(-c2c(F)cccc2F)c(Cl)nc(-n2nc(C)cc2C)c1=O	ZINC000653788012	HJ	Annotated	Anodyne	
COc1cc2nc3c(cc2c(Cn2ccnc2C)c1O)CSc1cc(F)ccc1-3	ZINC000653790963	HJ	Annotated	Clean	
CCCCOc1ccc2c(c1)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2	ZINC000653791339	HJ	Annotated	Anodyne	
CC[C@H](c1nnnn1Cc1cccs1)N1CCC(c2nc3ccccc3s2)CC1	ZINC000653793023	HJ	Annotated	Anodyne	
CC[C@@H](c1nnnn1Cc1cccs1)N1CCC(c2nc3ccccc3s2)CC1	ZINC000653793024	HJ	Annotated	Anodyne	
Fc1ccc(OCc2cc(OCC3CCC3)nc(-c3ccccn3)n2)c(F)c1F	ZINC000653794123	HJ	Annotated	Anodyne	
CCCCOC(=O)c1cc(=O)c(O)c2oc3cc(N(CCC)CCC)ccc3nc1-2	ZINC000653794488	HJ	Annotated	Bother	
C[C@]12CCN(C(=O)Cn3cnc4ccccc43)[C@@H]1N(Cc1ccccc1)c1ccccc12	ZINC000653795119	HJ	Annotated	Anodyne	
C[C@]12CCN(C(=O)Cn3cnc4ccccc43)[C@H]1N(Cc1ccccc1)c1ccccc12	ZINC000653795123	HJ	Annotated	Anodyne	
C[C@@]12CCN(C(=O)Cn3cnc4ccccc43)[C@H]1N(Cc1ccccc1)c1ccccc12	ZINC000653795124	HJ	Annotated	Anodyne	
C[C@@]12CCN(C(=O)Cn3cnc4ccccc43)[C@@H]1N(Cc1ccccc1)c1ccccc12	ZINC000653795132	HJ	Annotated	Anodyne	
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CNC(C)(C)CC)c1ccccc1CC2	ZINC000653795168	HJ	Annotated	Anodyne	
O=c1c(-n2cccn2)nc(Cl)c(-c2c(F)cc(F)cc2F)n1C1CCCCC1	ZINC000653795291	HJ	Annotated	Anodyne	
CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)NC(C)(C)C)cc21	ZINC000653795645	HJ	Annotated	Anodyne	
CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc21	ZINC000653795838	HJ	Annotated	Anodyne	
Nc1c(Cl)cc(C(=O)NC23C[C@H]4CC(O)(C[C@@H](C2)c2ccccc24)C3)cc1Cl	ZINC000653796372	HJ	Annotated	Anodyne	
CCOC(=O)/C(=C/c1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)CC	ZINC000653797736	HJ	Annotated	Anodyne	
CCOC(=O)/C(=C/c1cccc(C(=O)NCc2ccccc2C(F)(F)F)c1)CC	ZINC000653797842	HJ	Annotated	Anodyne	
COc1cccc2c(N[C@@H](C)c3ccccc3)nc(-n3c(N)nc4ccccc43)nc12	ZINC000653797922	HJ	Annotated	Anodyne	
COc1cccc2c(N[C@H](C)c3ccccc3)nc(-n3c(N)nc4ccccc43)nc12	ZINC000653797928	HJ	Annotated	Anodyne	
Cc1nc(C)c(CNc2nc(CCCOc3ccccn3)nc(Cl)c2C)s1	ZINC000653797956	HJ	Annotated	Anodyne	
COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)CO)N2c2ccc(O)cc2)cc1	ZINC000653798417	HJ	Annotated	Anodyne	
COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)CO)N2c2ccc(O)cc2)cc1	ZINC000653798418	HJ	Annotated	Anodyne	
O=C(CCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc2ccccc2c1	ZINC000653800000	HJ	Annotated	Anodyne	
C[S@@](=O)c1ccc([C@H](NC2CCCCC2)c2cc3cccnc3[nH]2)cc1Cl	ZINC000653801616	HJ	Annotated	Anodyne	
C[S@](=O)c1ccc([C@H](NC2CCCCC2)c2cc3cccnc3[nH]2)cc1Cl	ZINC000653801617	HJ	Annotated	Anodyne	
C[S@](=O)c1ccc([C@@H](NC2CCCCC2)c2cc3cccnc3[nH]2)cc1Cl	ZINC000653801618	HJ	Annotated	Anodyne	
C[S@@](=O)c1ccc([C@@H](NC2CCCCC2)c2cc3cccnc3[nH]2)cc1Cl	ZINC000653801619	HJ	Annotated	Anodyne	
C[S@](=O)c1ccc([C@@](O)(CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl	ZINC000653801656	HJ	Annotated	Anodyne	
C[S@@](=O)c1ccc([C@](O)(CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl	ZINC000653801657	HJ	Annotated	Anodyne	
C[S@@](=O)c1ccc([C@@](O)(CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl	ZINC000653801658	HJ	Annotated	Anodyne	
C[S@](=O)c1ccc([C@](O)(CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl	ZINC000653801659	HJ	Annotated	Anodyne	
O=C(CCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc2ccccc12	ZINC000653803646	HJ	Annotated	Anodyne	
COc1cccc2c(NCc3ccccc3)nc(Cn3c(C)nc4ccccc43)nc12	ZINC000653803672	HJ	Annotated	Anodyne	
CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)N(CC)CC)cc21	ZINC000653804947	HJ	Annotated	Anodyne	
CC(C)C1=CC[C@H](CS(=O)(=O)c2nc3ccccc3s2)[C@@]12C=CC(=O)CC2	ZINC000653805744	HJ	Annotated	Mild	
Cc1nc(C)c(CNc2nc(NCCCc3ccccn3)nc(Cl)c2C)s1	ZINC000653805881	HJ	Annotated	Anodyne	
Cc1nc2sc3ccccc3n2c1C(=O)N/N=C/c1ccc(C(F)(F)F)cc1	ZINC000653806041	HJ	Annotated	Reactive	
CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)CN1CCCCC1)c1ccccc1CC2	ZINC000653806081	HJ	Annotated	Anodyne	
Cc1nc(C)c(CNc2nc(OCCCc3ccccn3)nc(Cl)c2C)s1	ZINC000653806254	HJ	Annotated	Anodyne	
O=c1ccc2c3c(cc[n+]2Cc2ccc(OCc4ccccc4)cc2)c2ccccc2n13	ZINC000653808726	HJ	Annotated	Bother	
CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)Cn1cccc1)c1ccccc1CC2	ZINC000653808783	HJ	Annotated	Anodyne	
COc1cccc([C@@]2(O)c3ccc(-c4ccccc4OC)cc3CC[C@@H]2CN(C)C)c1	ZINC000653813272	HJ	Annotated	Anodyne	
COc1ccc(-c2ccc3c(c2)CC[C@H](CN(C)C)[C@@]3(O)c2cccc(OC)c2)cc1	ZINC000653813281	HJ	Annotated	Anodyne	
CC(C)OC(=O)c1c(/N=C2\SCC(=O)N2c2ccccc2)sc2c1CCCC2	ZINC000653816500	HJ	Annotated	Mild	
COc1cccc(-c2ccc3c(c2)CC[C@H](CN(C)C)[C@@]3(O)c2cccc(OC)c2)c1	ZINC000653816949	HJ	Annotated	Anodyne	
Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1cc(Cl)ccc1Cl	ZINC000653822839	HJ	Annotated	Anodyne	
CC[C@H](C)/N=C(/N)c1ccc(Nc2nc3ccc(C(=N)N[C@@H](C)CC)cc3[nH]2)cc1	ZINC000653823190	HJ	Annotated	Mild	
CC[C@H](C)/N=C(/N)c1ccc(Nc2nc3ccc(C(=N)N[C@H](C)CC)cc3[nH]2)cc1	ZINC000653823191	HJ	Annotated	Mild	
Oc1ccc(-c2ccc(-c3nnc(Nc4cccc(CNC5CC5)c4)[nH]3)cc2)c(O)c1	ZINC000653826113	HJ	Annotated	Anodyne	
Cc1nc2ccccc2n1Cc1nnc(Nc2ccccc2Br)s1	ZINC000653829553	HJ	Annotated	Anodyne	
Cc1nc2ccccc2c(=O)n1CCCc1ccc(-c2cnc3ccccc3n2)cc1	ZINC000653830128	HJ	Annotated	Anodyne	
CC1(C)Sc2nnc(-c3n[nH]c4c3CCC4)n2N=C1c1ccc(Cl)c(Cl)c1	ZINC000653830219	HJ	Annotated	Anodyne	
Cc1nc2ccccc2n1Cc1nnc(Nc2ccc(Br)cc2)s1	ZINC000653834572	HJ	Annotated	Anodyne	
O=C(Nc1ccccc1O)[C@@H]1CCc2ccccc2N1C(=O)c1ccc(Cl)cc1	ZINC000653837595	HJ	Annotated	Anodyne	
O=C(Nc1ccccc1O)[C@H]1CCc2ccccc2N1C(=O)c1ccc(Cl)cc1	ZINC000653837597	HJ	Annotated	Anodyne	
O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(Cl)cc3)s2)c([N+](=O)[O-])c1	ZINC000653842779	HJ	Annotated	Bother	
CC(C)CNC(=O)C[C@H](C1CCCCC1)n1cc(Nc2ncnc3ccccc23)cn1	ZINC000653843527	HJ	Annotated	Anodyne	
CC(C)CNC(=O)C[C@@H](C1CCCCC1)n1cc(Nc2ncnc3ccccc23)cn1	ZINC000653843528	HJ	Annotated	Anodyne	
O=C1Nc2ccc(Cl)cc2[C@]12ON=C(c1ccccc1)N2c1ccc(Cl)cc1	ZINC000653848269	HJ	Annotated	Anodyne	
O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)C/C=C/c3cccc(Cl)c3)cc(O)c21	ZINC000653848281	HJ	Annotated	Clean	
O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)C/C=C/c3cccc(Cl)c3)cc(O)c21	ZINC000653848282	HJ	Annotated	Clean	
O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)C/C=C/c3ccc(Cl)cc3)cc(O)c21	ZINC000653848292	HJ	Annotated	Clean	
O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)C/C=C/c3ccc(Cl)cc3)cc(O)c21	ZINC000653848293	HJ	Annotated	Clean	
O=C1Nc2cc(Cl)ccc2[C@]12ON=C(c1ccc(Cl)cc1)N2c1ccccc1	ZINC000653849110	HJ	Annotated	Anodyne	
O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)C/C=C/c3ccccc3Cl)cc(O)c21	ZINC000653849925	HJ	Annotated	Clean	
O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)C/C=C/c3ccccc3Cl)cc(O)c21	ZINC000653849926	HJ	Annotated	Clean	
O=C1Nc2cc(Cl)ccc2[C@]12ON=C(c1ccccc1)N2c1ccc(Cl)cc1	ZINC000653850658	HJ	Annotated	Anodyne	
C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)c1ccc3ccccc3c1)=C/CC[C@@]1(C)O[C@@H]21	ZINC000653861122	HJ	Annotated	Mild	
CCCc1cn(CC(=O)Nc2nc(-c3ccc4oc5ccccc5c4c3)cs2)nn1	ZINC000653861632	HJ	Annotated	Anodyne	
C[C@]1(Cc2cccc(OC(F)(F)F)c2)CN(C[C@@H](O)C(F)(F)F)c2ccccc21	ZINC000653871760	HJ	Annotated	Anodyne	
C[C@@]1(Cc2cccc(OC(F)(F)F)c2)CN(C[C@@H](O)C(F)(F)F)c2ccccc21	ZINC000653871765	HJ	Annotated	Anodyne	
CN(C)C12C[C@@H](c3ccccc3)C(CN(CCN3CCCC3)C1)[C@H](c1ccccc1)C2	ZINC000653873517	HJ	Annotated	Anodyne	
CN(C)[C@@]12C[C@H](c3ccccc3)[C@@H](CN(CCN3CCCC3)C1)[C@H](c1ccccc1)C2	ZINC000653873520	HJ	Annotated	Anodyne	
CN(C)C12C[C@H](c3ccccc3)C(CN(CCN3CCCC3)C1)[C@@H](c1ccccc1)C2	ZINC000653873524	HJ	Annotated	Anodyne	
O[C@]1(C(F)(F)F)CS/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12	ZINC000653873529	HJ	Annotated	Mild	
O[C@@]1(C(F)(F)F)CS/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12	ZINC000653873533	HJ	Annotated	Mild	
O[C@@]1(C(F)(F)F)CS/C(=N\c2ccc(C(F)(F)F)cc2)N1Cc1ccco1	ZINC000653876574	HJ	Annotated	Mild	
O[C@]1(C(F)(F)F)CS/C(=N\c2ccc(C(F)(F)F)cc2)N1Cc1ccco1	ZINC000653876578	HJ	Annotated	Mild	
C[C@]1(c2cccc(OC(F)(F)F)c2)CN(C[C@@H](O)C(F)(F)F)c2ccccc21	ZINC000653878457	HJ	Annotated	Anodyne	
C[C@@]1(c2cccc(OC(F)(F)F)c2)CN(C[C@@H](O)C(F)(F)F)c2ccccc21	ZINC000653878458	HJ	Annotated	Anodyne	
Cc1noc(C)c1[C@]1(C)C[C@@H](c2cc(-c3cncnc3)c(F)cc2F)NC(=N)S1	ZINC000653878742	HJ	Annotated	Anodyne	
O=C1C(=Cc2ccc(N3CCN(c4ccc(F)cc4)CC3)cc2)C(=O)c2ccccc21	ZINC000653880697	HJ	Annotated	Mild	
COc1cc(-n2c(/C=C/c3cccs3)nc3ccccc3c2=O)cc(OC)c1OC	ZINC000653883144	HJ	Annotated	Anodyne	
CCCCc1cn([C@H](CN2CCOCC2)c2ccc3sc4ccccc4c3c2)nn1	ZINC000653888025	HJ	Annotated	Anodyne	
CCCCc1cn([C@@H](CN2CCOCC2)c2ccc3sc4ccccc4c3c2)nn1	ZINC000653888026	HJ	Annotated	Anodyne	
C=C1C(=O)O[C@H]2[C@H]1CC/C(COCc1ccc(C(F)(F)F)cc1)=C/CC[C@@]1(C)O[C@@H]21	ZINC000653891172	HJ	Annotated	Mild	
C1=C2CCCN(CCCCCNCc3ccccc3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCCN1C2	ZINC000653895436	HJ	Annotated	Anodyne	
N#Cc1c2c(c(O)c3ncc(Cc4cccc(Cl)c4F)cc13)C(=O)N1CCCC[C@H]21	ZINC000653895452	HJ	Annotated	Mild	
C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)c1ccc3ccccc3c1)/C(C)=C/CC[C@@]1(C)O[C@@H]21	ZINC000653897409	HJ	Annotated	Mild	
O=C(Nc1ccc(Cl)c(C(=O)N2CCCC2)c1O)Nc1cccc(F)c1Cl	ZINC000653899273	HJ	Annotated	Anodyne	
COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(=O)C(C)(C)CO4)CC2)cc1	ZINC000653899278	HJ	Annotated	Clean	
O=C(Cn1cc(C2CC2)nn1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1	ZINC000653899400	HJ	Annotated	Anodyne	
N#Cc1c2c(c(O)c3ncc(Cc4cccc(Cl)c4F)cc13)C(=O)N1CCCC[C@@H]21	ZINC000653916004	HJ	Annotated	Mild	
COCCn1c(C)c(C(C)(C)C)s/c1=N\C(=O)c1ccc(C(F)(F)F)cc1	ZINC000066066119	HJ	Annotated	Anodyne	
NC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1	ZINC000066073725	HJ	Annotated	Anodyne	
Cc1cc(C)n(-c2nc(SCC(=O)c3ccccc3)c(C#N)c3c2CCCC3)n1	ZINC000066073759	HJ	Annotated	Mild	
C1=Nc2nnc(-c3ccccc3)n2Nc2c1c(-c1ccccc1)nn2-c1ccccc1	ZINC000066074263	HJ	Annotated	Anodyne	
O=[N+]([O-])c1ccc(O[C@H]2CCc3ccccc3[C@@H]2n2ccnc2)c(C(F)(F)F)c1	ZINC000066074492	HJ	Annotated	Bother	
O=C(O)c1cc(CN2CCc3ccccc3[C@H]2C2CCCCC2)c2ccccn2c1=O	ZINC000066074854	HJ	Annotated	Anodyne	
O=C(O)c1cc(CN2CCc3ccccc3[C@@H]2C2CCCCC2)c2ccccn2c1=O	ZINC000066074855	HJ	Annotated	Anodyne	
C[N+](C)=c1ccc2c(-c3ccccc3C(=O)O)c3ccc4cc(O)ccc4c3oc-2c1	ZINC000066074890	HJ	Annotated	Bother	
OCCc1c(N2CCOCC2)nc2ccc(Cl)cc2c1-c1ccccc1Cl	ZINC000066075120	HJ	Annotated	Anodyne	
COC(=O)[C@@]1(C)CC(c2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)=NO1	ZINC000066075791	HJ	Annotated	Anodyne	
COC(=O)[C@]1(C)CC(c2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)=NO1	ZINC000066075793	HJ	Annotated	Anodyne	
CC(C)[C@@H]1N=C(C2CCCCC2)c2cc(N)ccc2N(Cc2ccc(N)cc2)C1=O	ZINC000066075916	HJ	Annotated	Clean	
Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cccc3ccccc23)n1C1CC1	ZINC000066077734	HJ	Annotated	Anodyne	
O=C1Sc2ccc(OS(=O)(=O)Nc3ccc(O)c4ccccc34)c3cccc1c23	ZINC000066077811	HJ	Annotated	Clean	
COc1cc(-n2cc(COC/C=C(\C)CCC=C(C)C)nn2)cc(OC)c1OC	ZINC000066078520	HJ	Annotated	Anodyne	
CN(C)c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)n2CC(=O)NN)cc1	ZINC000066078553	HJ	Annotated	Reactive	
CCOC(=O)Cn1c(C(=O)c2ccc(Oc3ccccc3)cc2)cc2cc(O)ccc21	ZINC000066079151	HJ	Annotated	Anodyne	
Clc1nc(Sc2ccccc2)c2ncn([C@@H]3CNc4ccccc4CO3)c2n1	ZINC000066079848	HJ	Annotated	Anodyne	
Clc1nc(Sc2ccccc2)c2ncn([C@H]3CNc4ccccc4CO3)c2n1	ZINC000066079850	HJ	Annotated	Anodyne	
CC(=O)N(C)c1cc(CSc2ncccc2C(=O)Nc2cc(C)cc(C)c2)ccn1	ZINC000066080107	HJ	Annotated	Anodyne	
CCC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2cc(C)cc(C)c2)ccn1	ZINC000066080216	HJ	Annotated	Anodyne	
CCOC(=O)c1c(N)oc2c1c(Sc1ccc(F)c(F)c1)c(O)c1ncccc12	ZINC000066080368	HJ	Annotated	Anodyne	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1CCc2ccccc2[C@@H]1n1ccnc1	ZINC000066097430	HJ	Annotated	Bother	
COc1nc([N+](=O)[O-])cn1C[C@H](OCc1ccc(Cl)cc1)c1ccc(F)cc1F	ZINC000066098359	HJ	Annotated	Bother	
COc1nc([N+](=O)[O-])cn1C[C@@H](OCc1ccc(Cl)cc1)c1ccc(F)cc1F	ZINC000066098360	HJ	Annotated	Bother	
CCOC(=O)c1c(N)oc2c1c(Sc1ccc(OC)cc1)c(O)c1ncccc12	ZINC000066099275	HJ	Annotated	Anodyne	
COc1ccc(-n2c(-c3cccc(Cl)c3)nn(CN3CCCC3)c2=S)cc1	ZINC000066099570	HJ	Annotated	Anodyne	
CCc1c(O)nc(SCC(=O)c2ccc(OC)cc2)nc1CC1CCCCC1	ZINC000066099845	HJ	Annotated	Anodyne	
N#Cc1c(O)nc(Sc2nc3ccccc3nc2Cl)nc1-c1ccc(F)cc1	ZINC000066100450	HJ	Annotated	Mild	
NCc1sccc1CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21	ZINC000066100977	HJ	Annotated	Anodyne	
NCc1sccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21	ZINC000066100979	HJ	Annotated	Anodyne	
COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C(=O)O)c2)n1	ZINC000066101194	HJ	Annotated	Anodyne	
O=C(O)c1cc(Br)cc(C(=O)/C=C/c2ccc3sccc3c2)c1O	ZINC000066101372	HJ	Annotated	Mild	
O=C(CCC1CCN(Cc2cccc(O)c2)CC1)c1cc2c3c(ccn3C(=O)CC2)c1	ZINC000066101737	HJ	Annotated	Anodyne	
Cc1cccnc1Oc1cccc(C=C2CCN(C(=O)Nc3cccnn3)CC2)c1	ZINC000066101789	HJ	Annotated	Anodyne	
COc1cccc(C2=Nc3nc4ccccc4n3[C@@](C)(c3cccc(OC)c3)C2=O)c1	ZINC000066101932	HJ	Annotated	Anodyne	
COc1cccc(C2=Nc3nc4ccccc4n3[C@](C)(c3cccc(OC)c3)C2=O)c1	ZINC000066101934	HJ	Annotated	Anodyne	
CC(C)Cc1sc(N)nc1-c1ccc([P@@]2(=O)OCC[C@H](c3ccncc3)O2)o1	ZINC000066101946	HJ	Annotated	Anodyne	
CC(C)Cc1sc(N)nc1-c1ccc([P@]2(=O)OCC[C@H](c3ccncc3)O2)o1	ZINC000066101948	HJ	Annotated	Anodyne	
O=C1CCCN1[C@@H]1CC(c2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)=NO1	ZINC000066103025	HJ	Annotated	Anodyne	
O=C1CCCN1[C@H]1CC(c2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)=NO1	ZINC000066103027	HJ	Annotated	Anodyne	
Cc1cccc(Oc2cccc(C=C3CCN(C(=O)Nc4cccnn4)CC3)c2)n1	ZINC000066103986	HJ	Annotated	Anodyne	
Cc1ccc(-n2c(S)nnc2N2N=C(c3ccc(CC(C)C)cc3)CCC2=O)cc1	ZINC000066104400	HJ	Annotated	Anodyne	
COc1cc(-c2onc3c2CCCN3Cc2ccc(F)cc2)ccc1-n1cnc(C)c1	ZINC000066104508	HJ	Annotated	Anodyne	
Clc1cccc2c(-c3nsc(CN4CCCC4)n3)cn(CC3CCOCC3)c12	ZINC000066111657	HJ	Annotated	Anodyne	
C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)[C@@H]4C)N(C)C	ZINC000066112081	HJ	Annotated	Anodyne	
Cc1ccc(Oc2cccc(C=C3CCN(C(=O)Nc4cccnn4)CC3)c2)nc1	ZINC000066112313	HJ	Annotated	Anodyne	
CC(=O)O[C@@H]1CC[C@H](OCC#Cc2c(-c3ccccc3)oc3ccccc23)O[C@H]1C	ZINC000066112343	HJ	Annotated	Mild	
C[C@H]1Oc2ccccc2/C(=N/OCc2ccc(Br)cc2)[C@H]1n1ccnc1	ZINC000066112713	HJ	Annotated	Mild	
C[C@@H]1Oc2ccccc2/C(=N/OCc2ccc(Br)cc2)[C@H]1n1ccnc1	ZINC000066112714	HJ	Annotated	Mild	
C[C@H]1Oc2ccccc2/C(=N/OCc2ccc(Br)cc2)[C@@H]1n1ccnc1	ZINC000066112715	HJ	Annotated	Mild	
C[C@@H]1Oc2ccccc2/C(=N/OCc2ccc(Br)cc2)[C@@H]1n1ccnc1	ZINC000066112716	HJ	Annotated	Mild	
O=C(CCC1CCN(Cc2ccc(O)cc2)CC1)c1cc2c3c(ccn3C(=O)CC2)c1	ZINC000066113090	HJ	Annotated	Anodyne	
CCCC[C@@]12Cc3cc(OC)c(OC)cc3[C@@H](O1)C1=C(O2)C(=O)c2ccccc2C1=O	ZINC000066113815	HJ	Annotated	Mild	
O=[N+]([O-])c1cccc(-c2cc(O)n3nc(C(F)(F)F)c(-c4cccs4)c3n2)c1	ZINC000066122788	HJ	Annotated	Anodyne	 
CC(C)=CCC/C(C)=C/COc1ccc(/C=C/C(=O)NNC(=O)c2ccncc2)cc1	ZINC000066123694	HJ	Annotated	Reactive	
CC(=O)O[C@@H]1CC[C@@H](OCC#Cc2c(-c3ccccc3)oc3ccccc23)O[C@H]1C	ZINC000066128534	HJ	Annotated	Mild	
N#Cc1ccc2c(c1)C[C@@]1(c3ccsc3)Oc3c(c(=O)oc4ccc(F)cc34)[C@@H]2O1	ZINC000066128672	HJ	Annotated	Mild	
COC(=O)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1	ZINC000066129327	HJ	Annotated	Anodyne	
Cc1c(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cccc1[N+](=O)[O-]	ZINC000066129456	HJ	Annotated	Bother	
CC(=O)Oc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1	ZINC000066136537	HJ	Annotated	Anodyne	
CC1=CC[C@H](COc2ccccc2)O[C@]2(C1)C(=O)Nc1cccc(Br)c12	ZINC000066136560	HJ	Annotated	Anodyne	
CC1=CC[C@@H](COc2ccccc2)O[C@]2(C1)C(=O)Nc1cccc(Br)c12	ZINC000066136561	HJ	Annotated	Anodyne	
CC1=CC[C@H](COc2ccccc2)O[C@@]2(C1)C(=O)Nc1cccc(Br)c12	ZINC000066136562	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@H]1O[C@@](c3ccsc3)(C2)OC2=C1C(=O)CC(C)(C)C2	ZINC000066136688	HJ	Annotated	Mild	
CCCC[C@@]12Cc3cc(C#N)ccc3[C@@H](O1)c1c(cc(C)n(-c3ccccc3)c1=O)O2	ZINC000066138810	HJ	Annotated	Mild	
CC1=C[C@H](COCc2ccccc2)O[C@]2(C1)C(=O)Nc1cccc(Br)c12	ZINC000066138984	HJ	Annotated	Anodyne	
CC1=C[C@@H](COCc2ccccc2)O[C@]2(C1)C(=O)Nc1cccc(Br)c12	ZINC000066138987	HJ	Annotated	Anodyne	
CC1=C[C@H](COCc2ccccc2)O[C@@]2(C1)C(=O)Nc1cccc(Br)c12	ZINC000066138988	HJ	Annotated	Anodyne	
COc1ccc([C@@]23Cc4ccccc4[C@@H](O2)C2=C(O3)C(=O)c3ccccc3C2=O)cc1	ZINC000066139540	HJ	Annotated	Mild	
COc1cc2c(cc1OC)[C@]1(c3ccccc3)CCCC[C@@H]1[C@@H]2NC(=O)C(F)(F)F	ZINC000066157120	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@@]1(c3ccccc3)CCCC[C@@H]1[C@@H]2NC(=O)C(F)(F)F	ZINC000066157122	HJ	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@]1(c3ccccc3)CCCC[C@H]1[C@@H]2NC(=O)C(F)(F)F	ZINC000066157124	HJ	Annotated	Anodyne	
COc1ccc2c3c(c(=O)oc2c1)[C@@H]1O[C@@](c2ccsc2)(Cc2ccccc21)O3	ZINC000066166657	HJ	Annotated	Anodyne	
C[C@H]1/C=C/CC(=O)N[C@H](c2ccccc2)[C@H](C)/C=C/CC(=O)N[C@H]1c1ccccc1	ZINC000066166846	HJ	Annotated	Anodyne	
COc1ccc(CCN[C@H](C)COc2c(C)cc(Br)cc2C)cc1OC	ZINC000066166920	HJ	Annotated	Anodyne	
COc1ccc(CCN[C@@H](C)COc2c(C)cc(Br)cc2C)cc1OC	ZINC000066166921	HJ	Annotated	Anodyne	
COc1ccc(Oc2c(Br)cnn(-c3ccc(C(C)C)cc3)c2=O)cc1	ZINC000066167225	HJ	Annotated	Anodyne	
Cc1ccc(-c2cn(CC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)nn2)cc1	ZINC000066251439	HJ	Annotated	Anodyne	
O[C@H]1CCCN(Cc2cccc(-c3nc(-c4cccc(C(F)(F)F)c4)c[nH]3)c2)C1	ZINC000066251443	HJ	Annotated	Anodyne	
OC[C@H]1CCCN(Cc2cccc(-c3nc(-c4cccc(C(F)(F)F)c4)c[nH]3)c2)C1	ZINC000066251444	HJ	Annotated	Anodyne	
OC[C@@H]1CCCN(Cc2cccc(-c3nc(-c4cccc(C(F)(F)F)c4)c[nH]3)c2)C1	ZINC000066251445	HJ	Annotated	Anodyne	
COc1ccc2c(c1)nc(CSc1nc(-c3ccccc3)cn1C)n1nc(C)cc21	ZINC000066251457	HJ	Annotated	Anodyne	
C[C@H]1COCCN1Cc1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)c1	ZINC000066252498	HJ	Annotated	Anodyne	
Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(Cl)c(O)c3)cc2c1	ZINC000066252621	HJ	Annotated	Anodyne	
COc1ccc([C@@H]2[C@@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000066258913	HJ	Annotated	Anodyne	
COc1ccc(N2C(=O)[C@H](c3ccccc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000066258914	HJ	Annotated	Anodyne	
O=C(c1cccs1)[C@H]1[C@H](c2ccccc2)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12	ZINC000066259039	HJ	Annotated	Anodyne	
O=C(c1cccs1)[C@H]1[C@H](c2ccccc2)[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12	ZINC000066259040	HJ	Annotated	Anodyne	
O=c1oc2ccccc2cc1-c1nc2ccccc2c2nc3c4nsnc4ccc3n12	ZINC000066259338	HJ	Annotated	Bother	
COc1ccc(OC)c2c1C(=O)C=C([C@@H](CC=C(C)C)OC(=O)c1ccccc1)C2=O	ZINC000066259392	HJ	Annotated	Mild	
C[C@@H]1CN(Cc2ccccc2-c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CCO1	ZINC000066259451	HJ	Annotated	Anodyne	
C[C@H]1CN(Cc2ccccc2-c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CCO1	ZINC000066259452	HJ	Annotated	Anodyne	
C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)C2=C3C=C(O)C(=O)C(Br)=C3O[C@]21O	ZINC000066259557	HJ	Annotated	Mild	
C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)C2=C3C=C(O)C(=O)C(Br)=C3O[C@@]21O	ZINC000066259558	HJ	Annotated	Mild	
CCCn1c(SCCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)nc2ccccc21	ZINC000066259641	HJ	Annotated	Anodyne	
COc1cccc2c1nc(CSc1nc(-c3ccccc3)cn1C)n1nc(C)cc21	ZINC000066259775	HJ	Annotated	Anodyne	
Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(O)c(Cl)c3)cc2c1	ZINC000066262216	HJ	Annotated	Anodyne	
Cc1nc(NC(C2CC2)C2CC2)c2nc(C)n(-c3ccc(OC(F)(F)F)cc3)c2n1	ZINC000068196712	HJ	Annotated	Anodyne	
Cn1cc(-c2cc(Oc3ccc4nc(N[C@@H]5CCCC[C@H]5O)sc4c3)ccn2)cn1	ZINC000068199744	HJ	Annotated	Anodyne	
Cn1ccc2cc(-c3cc4nc(SCP(=O)(O)O)[nH]c4cc3Cl)ccc21	ZINC000068207113	HJ	Annotated	Anodyne	 
CN(C(=O)c1ccc(OCC2CC2)cc1)[C@@H]1Cc2ccc(CNCC3(C)CC3)cc2C1	ZINC000068245829	HJ	Annotated	Anodyne	
Cc1cc2nc(-c3nccs3)n(-c3cc4nc(N)nc(N)c4cc3Cl)c2cc1C	ZINC000068246438	HJ	Annotated	Anodyne	
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(CC(C)C)CN1C3	ZINC000068267601	HJ	Annotated	Bother	
O=C(Nc1ccccc1F)N1CCC2(CC1)OCc1cc(Br)ccc1O2	ZINC000068267879	HJ	Annotated	Anodyne	
CSc1ccc(N2C(=N)C(=S)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000069061614	HJ	Annotated	Anodyne	
COc1ccc2c(c1O)N(c1ccccc1)[C@@H]1CC[C@@]34CCCN5CC[C@@]21[C@]53OCC4	ZINC000069482271	HJ	Annotated	Anodyne	in-vitro biogenic
C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H]5CC(=O)[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@@H]4[C@H]3CN2C1	ZINC000070454566	HJ	Annotated	Anodyne	in-vitro biogenic
C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@@H]4[C@H]3CN2C1	ZINC000070454567	HJ	Annotated	Anodyne	in-vitro biogenic
C[C@H]1CC[C@@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000070454876	HJ	Annotated	Anodyne	in-vitro biogenic
C[C@H]1CC[C@@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000070454877	HJ	Annotated	Anodyne	in-vitro biogenic
C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000070454884	HJ	Annotated	Anodyne	in-vitro biogenic
C[C@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@H](C[C@H]5[C@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1	ZINC000070454886	HJ	Annotated	Anodyne	in-vitro biogenic
COc1ccc(-c2ccc(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)o2)cc1	ZINC000070459599	HJ	Annotated	Anodyne	
CCC(C)(C)N1Cc2nc3c(-c4cc(OC)ccc4OC)cccc3c(N)c2C1=O	ZINC000071280639	HJ	Annotated	Anodyne	
O=C1OCC2=C1[C@H](c1cc(Br)ccc1O)c1ccc3ccccc3c1N2	ZINC000071280809	HJ	Annotated	Anodyne	
O=C1OCC2=C1[C@@H](c1cc(Br)ccc1O)c1ccc3ccccc3c1N2	ZINC000071280811	HJ	Annotated	Anodyne	
O=c1ccc2cc(OCCCCSC[C@@H]3CCCN4CCCC[C@H]34)ccc2o1	ZINC000071281391	HJ	Annotated	Anodyne	
O=C1OCC2=C1[C@H](c1cc(Br)cs1)c1ccc3ccc(O)cc3c1N2	ZINC000071294197	HJ	Annotated	Anodyne	
O=C1OCC2=C1[C@@H](c1cc(Br)cs1)c1ccc3ccc(O)cc3c1N2	ZINC000071294198	HJ	Annotated	Anodyne	
COc1ccccc1-c1[nH]c(Br)c(Br)c1Br	ZINC000071295064	HJ	Annotated	Anodyne	
COc1ccc(-c2ccn([C@@H](CC(=O)O)C(C)C)c2-c2ccc(C(N)=O)cc2C)cc1	ZINC000071295572	HJ	Annotated	Anodyne	
COc1ccc(-c2ccn([C@H](CC(=O)O)C(C)C)c2-c2ccc(C(N)=O)cc2C)cc1	ZINC000071295573	HJ	Annotated	Anodyne	
CCN(CC)CCCNc1nc2c3cccnc3ccc2c2cc3c(cc12)OCO3	ZINC000071296046	HJ	Annotated	Bother	
CCCCCc1ccc(-c2cn(-c3ccc(O)c(C(=O)N4CCCCC4)c3)nn2)cc1	ZINC000071296887	HJ	Annotated	Anodyne	
C[C@@H]1CN(Cc2nc3ncccc3n2C)CC[C@@H]1c1ccc(C(F)(F)F)cc1F	ZINC000071297025	HJ	Annotated	Anodyne	
N=C(N)C1(NC(=O)c2ccc(CCCCCCCOCC3CCCCC3)cc2)CC1	ZINC000071297045	HJ	Annotated	Anodyne	
CC(C)C[C@H]1C(=O)N(CC(=O)O)C[C@H](c2ccccc2Cl)c2cc(F)ccc21	ZINC000071315941	HJ	Annotated	Anodyne	
C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)CCC(=C)[C@H]23)[C@](C)(O)CC[C@@H]1OC(=O)NCCCC	ZINC000071316420	HJ	Annotated	Mild	
O=C(OCCO[N+](=O)[O-])C1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1	ZINC000071316877	HJ	Annotated	Anodyne	
CNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br	ZINC000071316906	HJ	Annotated	Reactive	
CCCCCc1ccc(-c2cn(-c3ccc(C(=O)N4CCCCC4)c(O)c3)nn2)cc1	ZINC000071317025	HJ	Annotated	Anodyne	
CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(F)c1	ZINC000071317355	HJ	Annotated	Anodyne	
CO/N=C1/c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)NC(C)(C)[C@@H]1O	ZINC000071317426	HJ	Annotated	Mild	
CO/N=C1/c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)NC(C)(C)[C@H]1O	ZINC000071317427	HJ	Annotated	Mild	
O[C@@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1)c1ccc(F)cc1	ZINC000071317523	HJ	Annotated	Anodyne	
CCc1cccc2c(-c3nsc(CN4CCCC4)n3)cn(CC3CCOCC3)c12	ZINC000071317784	HJ	Annotated	Anodyne	
COc1cc(N2C(=O)[C@H](c3cccs3)[C@H]2c2cccs2)cc(OC)c1OC	ZINC000071318018	HJ	Annotated	Anodyne	
Cc1ccc(C(=O)c2nc3ccccc3n2-c2cccc(OC(C)(C)C(=O)O)c2)cc1	ZINC000071318178	HJ	Annotated	Anodyne	
O[C@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1)c1ccc(F)cc1	ZINC000071318267	HJ	Annotated	Anodyne	
C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(C(F)(F)F)cc1F	ZINC000071318369	HJ	Annotated	Anodyne	
O=C(c1cc(-c2ccccc2F)[nH]n1)N1CC[C@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000071318784	HJ	Annotated	Anodyne	
C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(OC(F)(F)F)cc1F	ZINC000071329333	HJ	Annotated	Anodyne	
COc1cc(C(F)(F)F)ccc1[C@@H]1CCN(Cc2nc3ncccc3n2C)C[C@@H]1C	ZINC000071329372	HJ	Annotated	Anodyne	
CCOP(=O)(OCC)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)ON1C	ZINC000071329532	HJ	Annotated	Anodyne	
CCOP(=O)(OCC)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@H](c2ccccc2)ON1C	ZINC000071329604	HJ	Annotated	Anodyne	
COc1cc(C(F)(F)F)ccc1[C@H]1CCN(Cc2nc3ncccc3n2C)C[C@H]1C	ZINC000071330142	HJ	Annotated	Anodyne	
O=C(c1cc(-c2ccccc2F)[nH]n1)N1CC[C@](O)(c2ccccc2)[C@H]2CCCC[C@H]21	ZINC000071330306	HJ	Annotated	Anodyne	
Cc1cc(CNCCCC[C@@H](Cc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F	ZINC000071330725	HJ	Annotated	Bother	
Cc1nc(-n2ncc3c(Cl)ncnc32)c2c3c(sc2n1)CCc1ccccc1-3	ZINC000071330783	HJ	Annotated	Anodyne	
CCOc1ccc2oc(C(=O)N[C@H](CSC)c3nc4ccccc4[nH]3)c(C)c2c1	ZINC000071331027	HJ	Annotated	Anodyne	
N=C(N)Nc1cccc(SCc2cc(Br)cc(Br)c2)c1	ZINC000071331509	HJ	Annotated	Anodyne	
CCOc1ccc2oc(C(=O)N[C@@H](CSC)c3nc4ccccc4[nH]3)c(C)c2c1	ZINC000071331653	HJ	Annotated	Anodyne	
c1ccc2/c(=N/c3ccncc3)cc3oc4cc(N5CCOCC5)ccc4nc-3c2c1	ZINC000071332734	HJ	Annotated	Bother	
CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc([N+](=O)[O-])ccc3c1C2=O	ZINC000071332755	HJ	Annotated	Bother	
CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O	ZINC000071334134	HJ	Annotated	Mild	
CCCn1c(CN2C(=O)COc3c(C)cc(C)cc32)nnc1[C@@H]1C[C@H]1c1ccccc1	ZINC000071340829	HJ	Annotated	Anodyne	
N=C(N)Nc1ccccc1SCc1cc(Br)cc(Br)c1	ZINC000071340830	HJ	Annotated	Anodyne	
C/C(=N\N=C1\NC(=O)/C(=C/c2ccc(F)cc2)S1)c1nc(-c2ccccc2)[nH]c1C	ZINC000071341035	HJ	Annotated	Mild	
CCOc1ccc2oc(C(=O)N[C@@H](CCSC)c3nc4ccncc4[nH]3)c(C)c2c1	ZINC000071341237	HJ	Annotated	Anodyne	
CCOc1ccc2oc(C(=O)N[C@H](CCSC)c3nc4ccncc4[nH]3)c(C)c2c1	ZINC000071341238	HJ	Annotated	Anodyne	
C[C@@H]1O[C@@H](OCC#Cc2c(-c3ccccc3)sc3ccccc23)CC[C@@H]1NCC#N	ZINC000071341273	HJ	Annotated	Mild	
Cc1ccc(CNc2nc(CN3CCC[C@@H]3c3nccs3)nc3ccccc23)o1	ZINC000071937211	HJ	Annotated	Anodyne	 
Cc1ccc(CNc2nc(CN3CCC[C@H]3c3nccs3)nc3ccccc23)o1	ZINC000071937212	HJ	Annotated	Anodyne	 
Cc1ccc2cccc(Oc3cc(/C(=N/O)NCc4c(F)cccc4F)ccn3)c2n1	ZINC000072100916	HJ	Annotated	Mild	
FC(F)(F)c1ccc([C@@H](NC2CCN(c3nccs3)CC2)c2cccnc2)cc1	ZINC000072101017	HJ	Annotated	Anodyne	
FC(F)(F)c1ccc([C@H](NC2CCN(c3nccs3)CC2)c2cccnc2)cc1	ZINC000072101018	HJ	Annotated	Anodyne	
Cc1ccc(CN[C@@H](c2nc(-c3ccccc3)c(N3CCOCC3)o2)C2CC2)cc1	ZINC000072101278	HJ	Annotated	Anodyne	
Cc1ccc(CN[C@H](c2nc(-c3ccccc3)c(N3CCOCC3)o2)C2CC2)cc1	ZINC000072101279	HJ	Annotated	Anodyne	
CCOc1ccccc1CN/C(=N\O)c1cccnc1Oc1ccccc1SC	ZINC000072101301	HJ	Annotated	Mild	
CCN(Cc1coc(-c2ccccc2Br)n1)c1ccc2c(c1)OCO2	ZINC000072101408	HJ	Annotated	Clean	
Cc1cc(C)cc(CN/C(=N\O)c2ccc(Oc3c(F)c(F)cc(F)c3F)nc2)c1	ZINC000072101418	HJ	Annotated	Mild	
CC(C)c1ccc(Oc2ncccc2/C(=N/O)N2CCN(c3ccccc3)CC2)cc1	ZINC000072101652	HJ	Annotated	Mild	
COc1ccc(CN/C(=N\O)c2ccc(C)nc2Oc2cccc3cccnc23)cc1	ZINC000072101946	HJ	Annotated	Mild	
O/N=C(\NCc1c(F)cccc1F)c1ccnc(Oc2ccc(F)c(Cl)c2)c1	ZINC000072102009	HJ	Annotated	Mild	
C=CCc1ccc(Oc2cc(/C(=N/O)NCc3ccccc3OC)ccn2)c(OC)c1	ZINC000072102156	HJ	Annotated	Mild	
Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCN(c3ccccc3)CC2)c(C)c1	ZINC000072102169	HJ	Annotated	Mild	
COc1ccc(CN[C@@H](CC(C)C)c2nc(C(C)C)c(N3CCOCC3)o2)cc1	ZINC000072102395	HJ	Annotated	Anodyne	
COc1ccc(CN[C@H](CC(C)C)c2nc(C(C)C)c(N3CCOCC3)o2)cc1	ZINC000072102396	HJ	Annotated	Anodyne	
O/N=C(\N[C@H]1CCc2ccccc21)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1	ZINC000072102706	HJ	Annotated	Mild	
O/N=C(\N[C@@H]1CCc2ccccc21)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1	ZINC000072102707	HJ	Annotated	Mild	
COc1ccc(CN/C(=N\O)c2ccc(Oc3cccc4c3CCCC4)nc2)cc1	ZINC000072102713	HJ	Annotated	Mild	
CC(=O)C1=CC[C@H](c2ccc(Cl)c(Cl)c2)N(S(=O)(=O)c2ccc(C)cc2)C1	ZINC000072102806	HJ	Annotated	Mild	 
CC(=O)C1=CC[C@@H](c2ccc(Cl)c(Cl)c2)N(S(=O)(=O)c2ccc(C)cc2)C1	ZINC000072102807	HJ	Annotated	Mild	 
CN(CCCNCc1coc(-c2ccccc2Br)n1)c1ccccc1	ZINC000072102821	HJ	Annotated	Anodyne	
COc1cc(-c2nc(CNCc3cccc(C(F)(F)F)c3)co2)cc(OC)c1OC	ZINC000072102841	HJ	Annotated	Anodyne	
Cc1ccc(Oc2ccc(/C(=N/O)N3CCN(c4ccc(F)cc4)CC3)cn2)c(C)c1	ZINC000072102949	HJ	Annotated	Mild	
O/N=C(\NCc1c(F)cccc1F)c1ccc(Oc2cccc3c2CCCC3)nc1	ZINC000072102969	HJ	Annotated	Mild	
FC(F)(F)c1ccc([C@@H](NC2CCN(c3cncs3)CC2)c2cccnc2)cc1	ZINC000072103210	HJ	Annotated	Anodyne	
FC(F)(F)c1ccc([C@H](NC2CCN(c3cncs3)CC2)c2cccnc2)cc1	ZINC000072103211	HJ	Annotated	Anodyne	
COc1cc(-c2nc(CNC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)co2)cc(OC)c1OC	ZINC000072103254	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CC(CN[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)C1	ZINC000072103331	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CC(CN[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)C1	ZINC000072103332	HJ	Annotated	Anodyne	
Nc1cc(-c2ccccc2)n(Cc2coc(-c3ccc(OC(F)(F)F)cc3)n2)n1	ZINC000072103407	HJ	Annotated	Anodyne	
CC(C)(C)C(=O)N1CCN([C@@H](c2cccnc2)c2ccc(C(F)(F)F)cc2F)CC1	ZINC000072103578	HJ	Annotated	Anodyne	
CC(C)(C)C(=O)N1CCN([C@H](c2cccnc2)c2ccc(C(F)(F)F)cc2F)CC1	ZINC000072103579	HJ	Annotated	Anodyne	
Cc1ccccc1CN/C(=N\O)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1	ZINC000072103702	HJ	Annotated	Mild	
O=S1(=O)c2cc(Cl)ccc2Oc2ccccc2CN1Cc1cccc(F)c1	ZINC000072104809	HJ	Annotated	Anodyne	
CN(c1cc2ncc(=O)[nH]c2cc1NC(=S)Nc1ccccc1)C1CCCCC1	ZINC000072105333	HJ	Annotated	Anodyne	
CCN(CC)CCNCc1nccc2c3ccccc3n(Cc3ccc(F)cc3)c12	ZINC000072105381	HJ	Annotated	Anodyne	
CN(c1cc2ncc(=O)[nH]c2cc1Nc1nc(C(F)(F)F)cs1)C1CCCCC1	ZINC000072106179	HJ	Annotated	Anodyne	
COc1ccc(N)cc1CN1CCC(=O)[C@H](C(c2ccccc2)c2ccccc2)C1	ZINC000072106412	HJ	Annotated	Anodyne	
COc1ccc(N)cc1CN1CCC(=O)[C@@H](C(c2ccccc2)c2ccccc2)C1	ZINC000072106413	HJ	Annotated	Anodyne	
COc1ccc(NN2C(=O)O[C@@](C)(c3ccc(Oc4ccccc4)cc3)C2=O)cc1	ZINC000072106757	HJ	Annotated	Anodyne	
COc1ccc(NN2C(=O)O[C@](C)(c3ccc(Oc4ccccc4)cc3)C2=O)cc1	ZINC000072106758	HJ	Annotated	Anodyne	
O=c1cnc2cc(N3CCCCC3)c(Nc3nc(-c4ccccc4)cs3)cc2[nH]1	ZINC000072107333	HJ	Annotated	Anodyne	
O=C(O)c1cn(C2CCCC2)c2ccc(Cc3cccc(Cl)c3F)c(O)c2c1=O	ZINC000072107553	HJ	Annotated	Anodyne	
CC[C@@H](C)n1cc(C(=O)O)c(=O)c2c(O)c(Cc3cccc(Cl)c3F)ccc21	ZINC000072108099	HJ	Annotated	Anodyne	
CC[C@H](C)n1cc(C(=O)O)c(=O)c2c(O)c(Cc3cccc(Cl)c3F)ccc21	ZINC000072108100	HJ	Annotated	Anodyne	
CC(C)(C)n1cc(C(=O)O)c(=O)c2c(O)c(Cc3cccc(Cl)c3F)ccc21	ZINC000072108101	HJ	Annotated	Anodyne	
COc1ccc(-c2nc(/C=C3/C(=O)N(C)c4ccccc43)c3ccccn23)cc1OC	ZINC000072108178	HJ	Annotated	Clean	
O=[N+]([O-])c1ccc(NC(=S)N/N=C/c2cc3cccc(Cl)c3nc2Cl)cc1	ZINC000072108700	HJ	Annotated	Mild	
N#Cc1c(-c2ccc(C(F)(F)F)cc2)cc(NCCCN)n2c1nc1ccccc12	ZINC000072108732	HJ	Annotated	Mild	
N#Cc1c(-c2cccc(C(F)(F)F)c2)cc(NCCCN)n2c1nc1ccccc12	ZINC000072108733	HJ	Annotated	Mild	
COc1ccc2c(Nc3ccc(/C(C)=N/OCCCN)cc3)c3ccoc3nc2c1	ZINC000072108870	HJ	Annotated	Mild	
CCn1c(-c2ccc(F)cc2F)nc(C)c1CC(=O)NCc1c(C)cccc1Cl	ZINC000072109028	HJ	Annotated	Anodyne	
CCn1c(-c2ccc(F)cc2F)nc(C)c1CC(=O)NCc1cccc(Cl)c1C	ZINC000072109187	HJ	Annotated	Anodyne	
CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@H](C)CC)=C3C2=CO1	ZINC000072109235	HJ	Annotated	Mild	in-vitro
C/C=C(\C)C(=O)C1=C2C3=COC(/C=C/[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O	ZINC000072109302	HJ	Annotated	Mild	in-vitro
Cc1cnccc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12	ZINC000072109320	HJ	Annotated	Anodyne	
CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3ccccc3nc2Cl)S1)C1CCCC1	ZINC000072109719	HJ	Annotated	Anodyne	
CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3ccccc3nc2Cl)S1)C1CCCC1	ZINC000072109720	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc(-c2cnc(N)nc2-c2c[nH]c3c(Br)cccc23)cc1	ZINC000072110143	HJ	Annotated	Anodyne	
O=C(O)c1cn(-c2ccccc2)c2ccc(Cc3cccc(Cl)c3F)c(O)c2c1=O	ZINC000072112975	HJ	Annotated	Anodyne	
COc1cc(-c2cn(Cc3csc4ccccc34)nn2)ccc1-n1cnc(C)c1	ZINC000072113417	HJ	Annotated	Anodyne	
COc1cc(-c2cn(Cc3cccc(C(F)(F)F)c3)nn2)ccc1-n1cnc(C)c1	ZINC000072113644	HJ	Annotated	Anodyne	
CCC(CC)Nc1c2c(nc3c(-c4ccc(OC)cc4Cl)c(C)nn13)OCC2	ZINC000072113720	HJ	Annotated	Anodyne	
CCC(CC)Nc1c2c(nc3c(-c4ccc(OC)cc4Cl)c(C)nn13)CCO2	ZINC000072113784	HJ	Annotated	Anodyne	
COc1cc(-c2cn(Cc3ccc(C(C)(C)C)cc3)nn2)ccc1-n1cnc(C)c1	ZINC000072114110	HJ	Annotated	Anodyne	
O=C(O)c1ccc(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)cc1	ZINC000072114766	HJ	Annotated	Reactive	
Cn1cc(C2CN(CCF)C2)c2ccc(-n3ccc(-c4ccc(F)cc4)cc3=O)cc21	ZINC000072116177	HJ	Annotated	Anodyne	
O=S(=O)(c1ccccc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)cc1)N1CCCC1	ZINC000072116259	HJ	Annotated	Anodyne	
COc1cc(-c2cn(Cc3ccc4ccsc4c3)nn2)ccc1-n1cnc(C)c1	ZINC000072116498	HJ	Annotated	Anodyne	
O=C1OCC(Nc2ccc(Br)cc2)=C1c1cccc(Br)c1	ZINC000072116918	HJ	Annotated	Anodyne	
O=C1OCC(Nc2ccc(Br)cc2)=C1c1ccc(Br)cc1	ZINC000072117135	HJ	Annotated	Anodyne	
Cc1cc(Br)cc(C)c1Oc1ccc(=O)n(Nc2ccc(Cl)cc2)n1	ZINC000072118203	HJ	Annotated	Anodyne	
CN(C)CCCNCc1nccc2c3ccccc3n(Cc3cccc(Cl)c3)c12	ZINC000072119620	HJ	Annotated	Anodyne	
CCCN(CCC)c1c(OC)c(Nc2ccc(OC)cc2Cl)nc2ccnn12	ZINC000072119693	HJ	Annotated	Anodyne	
CC1(C)CN(Cc2cccc(F)c2)C(=O)[C@@H]1Oc1ccc(C#N)c(C(F)(F)F)c1	ZINC000072119896	HJ	Annotated	Mild	
CC1(C)CN(Cc2cccc(F)c2)C(=O)[C@H]1Oc1ccc(C#N)c(C(F)(F)F)c1	ZINC000072119897	HJ	Annotated	Mild	
COc1cc(N2C(=O)[C@H](c3ccccc3)[C@H]2c2ccc(F)cc2)cc(OC)c1OC	ZINC000072119900	HJ	Annotated	Anodyne	
Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2ccco2)cc1	ZINC000072123483	HJ	Annotated	Clean	
C/C=C(/C)C(=O)O[C@H]1CC(C)=C[C@@H](OC(=O)/C(C)=C\C)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12	ZINC000072123527	HJ	Annotated	Anodyne	
COc1ccc(-n2c(CC3CC3)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)cc1	ZINC000072123613	HJ	Annotated	Anodyne	
COc1ccc(-n2c(CC(C)C)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)cc1	ZINC000072123614	HJ	Annotated	Anodyne	
COc1ccc(-n2c([C@@H]3CCCO3)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)cc1	ZINC000072123615	HJ	Annotated	Anodyne	
COc1ccc(-n2c([C@H]3CCCO3)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)cc1	ZINC000072123616	HJ	Annotated	Anodyne	
COc1cc(/C=C/[N+](=O)[O-])c(/C=C/c2ccc(Br)cc2)c(OC)c1OC	ZINC000072124349	HJ	Annotated	Anodyne	
COc1ccc(/C=N\NS(=O)(=O)c2cc(C)c3cc(C(C)C)ccc(C)c2-3)cc1	ZINC000072124446	HJ	Annotated	Mild	
Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2ccoc2)cc1	ZINC000072124516	HJ	Annotated	Clean	
COc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000072125035	HJ	Annotated	Anodyne	
O=[N+]([O-])c1ccc2[nH]cc(-c3nsc(-c4c[nH]c5ccc([N+](=O)[O-])cc45)n3)c2c1	ZINC000072126251	HJ	Annotated	Bother	
O[C@@H]1C[C@@H](c2ccc(Cl)cc2)N(CC2CCCCC2)C[C@H]1n1cc(C2CC2)nn1	ZINC000072127924	HJ	Annotated	Anodyne	 
CCCCCCN1C[C@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1	ZINC000072129976	HJ	Annotated	Anodyne	 
COC(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)c(Cc3ccc(C)cc3)n2c1	ZINC000072136229	HJ	Annotated	Anodyne	 
Cc1ccccc1CN1[C@H](c2ccccc2)COc2c(Cl)cccc2S1(=O)=O	ZINC000072136647	HJ	Annotated	Anodyne	
Cc1ccccc1CN1[C@@H](c2ccccc2)COc2c(Cl)cccc2S1(=O)=O	ZINC000072136648	HJ	Annotated	Anodyne	
Cc1ccc(CN2[C@H](c3ccccc3)COc3c(Cl)cccc3S2(=O)=O)cc1	ZINC000072136667	HJ	Annotated	Anodyne	
Cc1ccc(CN2[C@@H](c3ccccc3)COc3c(Cl)cccc3S2(=O)=O)cc1	ZINC000072136668	HJ	Annotated	Anodyne	
CC(C)C[C@@H]1COc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(Cl)c1	ZINC000072137526	HJ	Annotated	Anodyne	
CC(C)C[C@H]1COc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(Cl)c1	ZINC000072137527	HJ	Annotated	Anodyne	 
O=S1(=O)c2cccc(Cl)c2OC[C@@H](c2ccccc2)N1Cc1cccc(F)c1	ZINC000072137627	HJ	Annotated	Anodyne	
O=S1(=O)c2cccc(Cl)c2OC[C@H](c2ccccc2)N1Cc1cccc(F)c1	ZINC000072137628	HJ	Annotated	Anodyne	
COc1ccc(CN2Cc3ccccc3Oc3ccc(Cl)cc3S2(=O)=O)cc1	ZINC000072138151	HJ	Annotated	Anodyne	
O=S1(=O)c2cccc(Cl)c2OC[C@@H](c2ccccc2)N1Cc1ccc(F)cc1	ZINC000072138450	HJ	Annotated	Anodyne	
O=S1(=O)c2cccc(Cl)c2OC[C@H](c2ccccc2)N1Cc1ccc(F)cc1	ZINC000072138451	HJ	Annotated	Anodyne	
CCC[C@@H]1CN(c2ccc(Br)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1	ZINC000072139370	HJ	Annotated	Anodyne	
CCC[C@@H]1CN(c2ccc(Br)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1	ZINC000072139371	HJ	Annotated	Anodyne	
CCC[C@H]1CN(c2ccc(Br)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1	ZINC000072139372	HJ	Annotated	Anodyne	
COc1ccc(CN2Cc3cc(-c4cccc(F)c4)ccc3-n3nncc3C2)cc1	ZINC000072139405	HJ	Annotated	Anodyne	 
O[C@@H]1CN(CC2CCCCC2)[C@H](c2ccc(Cl)cc2)C[C@@H]1n1cc(C2CC2)nn1	ZINC000072139529	HJ	Annotated	Anodyne	 
O[C@@H]1CN(CC2CCCCC2)[C@@H](c2ccc(Cl)cc2)C[C@@H]1n1cc(C2CC2)nn1	ZINC000072139530	HJ	Annotated	Anodyne	
O[C@@H]1CN(CC2CCCCC2)[C@H](c2ccc(Cl)cc2)C[C@H]1n1cc(C2CC2)nn1	ZINC000072139531	HJ	Annotated	Anodyne	 
O=C(CCc1ccccc1)N1Cc2cc(-c3cccc(F)c3)ccc2-n2nncc2C1	ZINC000072139656	HJ	Annotated	Anodyne	 
CC(=O)O[C@H](/C=C(\C)CC[C@@H](O)[C@]1(C)CCC(=O)O1)C/C(C)=C/CCc1ccoc1	ZINC000072139951	HJ	Annotated	Anodyne	
CCc1c(CN2CCCc3ccccc32)nc(SCc2ccc(F)cc2)[nH]c1=O	ZINC000072140843	HJ	Annotated	Anodyne	
O=C(Nc1cccc2ccccc12)c1[nH]c(-c2ccccc2)c2c1C(=O)N(C1CC1)C2=O	ZINC000072141110	HJ	Annotated	Anodyne	 
O=C(c1ccco1)N(Cc1cccnc1)[C@@H](c1ccccc1)c1nc2ccccc2[nH]1	ZINC000072141111	HJ	Annotated	Anodyne	 
O=C(c1ccco1)N(Cc1cccnc1)[C@H](c1ccccc1)c1nc2ccccc2[nH]1	ZINC000072141112	HJ	Annotated	Anodyne	 
COc1cccc(CN/C(=N\O)c2ccc(C)nc2Oc2cccc3c2CCCC3)c1	ZINC000072141389	HJ	Annotated	Mild	
CCCN(CCC)c1cc(N(COC)c2ccc(OC)cc2Cl)nc2ccnn12	ZINC000072141487	HJ	Annotated	Anodyne	
N#CCCN(Cc1ccccc1)[C@@H](CCc1ccccc1)C(=O)NC1CCCCC1	ZINC000072142300	HJ	Annotated	Mild	 
N#CCCN(Cc1ccccc1)[C@H](CCc1ccccc1)C(=O)NC1CCCCC1	ZINC000072142301	HJ	Annotated	Mild	 
C=CCc1ccc(Oc2cc(/C(=N/O)NCc3ccc(OC)cc3)ccn2)c(OC)c1	ZINC000072142358	HJ	Annotated	Mild	
COCCOc1ccc(-c2nc3ccc(OCc4ccccc4)nn3c2Cl)cc1	ZINC000072142590	HJ	Annotated	Anodyne	
COc1ccc(-c2cc(-c3c[nH]c4cc(F)ccc34)nc(N)c2C#N)c(OC)c1OC	ZINC000072142778	HJ	Annotated	Mild	
Cc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCc3cncs3)cc2c1	ZINC000072142901	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ccc2nc(N)c(C[C@H](C)C(=O)NCc3cncs3)cc2c1	ZINC000072142902	HJ	Annotated	Anodyne	
CC(=O)O[C@H]1C=CC(=O)O[C@@H]1c1nc(/C=C/c2ccccc2)oc1-c1ccccc1	ZINC000072142920	HJ	Annotated	Anodyne	
NC(=O)N[C@H](c1ccc(Br)cc1)c1c(O)ccc2oc3ccccc3c12	ZINC000072170646	HJ	Annotated	Clean	
NC(=O)N[C@@H](c1ccc(Br)cc1)c1c(O)ccc2oc3ccccc3c12	ZINC000072170647	HJ	Annotated	Clean	
COc1cc(-c2ccc(N[C@@H](C)c3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1	ZINC000072172284	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(N[C@@H](C)c3cccc(F)c3)nn2)ccc1-n1cnc(C)c1	ZINC000072172338	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(N[C@@H](C)c3ccccc3F)nn2)ccc1-n1cnc(C)c1	ZINC000072172339	HJ	Annotated	Anodyne	
COc1cc([C@H]2NC(=O)Oc3ccc4oc5ccccc5c4c32)cc(OC)c1OC	ZINC000072172361	HJ	Annotated	Anodyne	
COc1cc([C@@H]2NC(=O)Oc3ccc4oc5ccccc5c4c32)cc(OC)c1OC	ZINC000072172362	HJ	Annotated	Anodyne	
COc1ccc([C@H](C)Nc2ccc(-c3ccc(-n4cnc(C)c4)c(OC)c3)nn2)cc1	ZINC000072173024	HJ	Annotated	Anodyne	
O=[N+]([O-])c1ccc(NCn2nc3oc4c(Cl)cc(Cl)cc4n3c2=S)cc1	ZINC000072173305	HJ	Annotated	Bother	
CCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(-c3ccccc3)n2n1	ZINC000072174402	HJ	Annotated	Anodyne	
COc1cccc(-c2ccc(C(=O)Oc3ccc4c(c3)OC(C)(C)[C@H](O)C4)cc2)c1	ZINC000072175049	HJ	Annotated	Anodyne	
COc1cccc(-c2ccc(C(=O)Oc3ccc4c(c3)OC(C)(C)[C@@H](O)C4)cc2)c1	ZINC000072175050	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(Cl)c1)CC(C)(C)O2	ZINC000072175119	HJ	Annotated	Anodyne	
CC(=O)Nc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(Cl)c1)CC(C)(C)O2	ZINC000072175120	HJ	Annotated	Anodyne	
CCCCOc1ccc(-c2ccc(Cn3ccc4c3C(=O)NCCC4=O)cc2)cc1	ZINC000072175223	HJ	Annotated	Anodyne	
COc1cc(-c2ccc(N[C@H](C)c3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1	ZINC000072175312	HJ	Annotated	Anodyne	
O=C1/C(=C\Nc2cc(-c3ccccc3)[nH]n2)C(c2ccccc2)=NN1c1ccccc1	ZINC000072175401	HJ	Annotated	Clean	
COc1cc(-c2cnc(N[C@@H](C)c3ccc(F)cc3)nc2)ccc1-n1cnc(C)c1	ZINC000072176448	HJ	Annotated	Anodyne	
COc1cc(-c2ncc(N[C@@H](C)c3ccc(F)cc3)cn2)ccc1-n1cnc(C)c1	ZINC000072176449	HJ	Annotated	Anodyne	
O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3c(Cl)cccc3Cl)c12	ZINC000072176602	HJ	Annotated	Clean	
CCc1c(CN2CCCc3ccccc32)nc(SCc2ccc(C)cc2)[nH]c1=O	ZINC000072176772	HJ	Annotated	Anodyne	
O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3ccc(Cl)cc3Cl)c12	ZINC000072176855	HJ	Annotated	Clean	
COc1ccc(-c2cc(-c3c[nH]c4ccc(F)cc34)nc(N)c2C#N)c(OC)c1OC	ZINC000072176934	HJ	Annotated	Mild	
CCc1c(CN2CCCc3ccccc32)nc(SCc2ccc(OC)cc2)[nH]c1=O	ZINC000072177793	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCC3CCOCC3)cc2c1	ZINC000072177951	HJ	Annotated	Anodyne	
Cc1ccc(N2C(=O)[C@@H](n3cc(-c4ccccc4)nn3)[C@H]2/C=C/c2ccccc2)cc1	ZINC000072178362	HJ	Annotated	Anodyne	
COc1cccnc1-c1ccc2nc(N)c(C[C@H](C)C(=O)NCCC(C)(C)C)cc2c1	ZINC000072178662	HJ	Annotated	Anodyne	
COc1cccnc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCCC(C)(C)C)cc2c1	ZINC000072178663	HJ	Annotated	Anodyne	
O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCNC1)c1ccc2cnccc2c1	ZINC000072178904	HJ	Annotated	Anodyne	
O=C(N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCNC1)c1ccc2cnccc2c1	ZINC000072178905	HJ	Annotated	Anodyne	
O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCNC1)c1ccc2cnccc2c1	ZINC000072178906	HJ	Annotated	Anodyne	
O=C(N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCNC1)c1ccc2cnccc2c1	ZINC000072178907	HJ	Annotated	Anodyne	
Cc1ccc2oc3cc(O)c(-c4c(O)ccc5ccc(O)cc45)c(O)c3c(=O)c2c1	ZINC000072179109	HJ	Annotated	Bother	
CC(=O)O[C@H](CC/C(C)=C/[C@@H](O)C/C(C)=C/CCc1ccoc1)[C@]1(C)CCC(=O)O1	ZINC000072179216	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCc3cccnc3)cc2c1	ZINC000072179222	HJ	Annotated	Anodyne	
Cc1ccccc1-c1ccc2nc(N)c(C[C@H](C)C(=O)NCc3cccnc3)cc2c1	ZINC000072179223	HJ	Annotated	Anodyne	
CC[C@@H](C)C(=O)O[C@H](CC=C(C)C)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O	ZINC000072179654	HJ	Annotated	Mild	
CC[C@H](C)C(=O)O[C@H](CC=C(C)C)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O	ZINC000072179655	HJ	Annotated	Mild	
COc1cc([C@@H](CC=C(C)C)OC(=O)c2ccccc2)c(OC)c2c1C(=O)C=CC2=O	ZINC000072179656	HJ	Annotated	Mild	
Cc1cccnc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCCC(C)(C)C)cc2c1	ZINC000072179707	HJ	Annotated	Anodyne	
COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)NCc1cc(F)cc(F)c1	ZINC000072180003	HJ	Annotated	Mild	
O=C(O)c1c(-c2ccc[nH]c2=O)c2cc(C3CC3)ccc2n1Cc1ccc(F)cc1F	ZINC000072180662	HJ	Annotated	Anodyne	
C=CCc1ccc(Oc2ccc(/C(=N/O)NCc3ccc(OC)cc3)cn2)c(OC)c1	ZINC000072180763	HJ	Annotated	Mild	
Cc1ccc(/C(=N/O)NCc2ccncc2)c(Oc2cc(Cl)ccc2Cl)n1	ZINC000072180893	HJ	Annotated	Mild	
CCOc1ccccc1CN/C(=N\O)c1ccnc(Oc2ccc(SC)cc2)c1	ZINC000072181443	HJ	Annotated	Mild	
COC(CC/C(C)=C/Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O)OC	ZINC000072181642	HJ	Annotated	Mild	
COc1cc([C@@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@H]2C)cc(OC)c1OC	ZINC000072181749	HJ	Annotated	Anodyne	
CN(Cc1cccnc1)/C(=N\O)c1ccc(Oc2cc(Cl)ccc2Cl)nc1	ZINC000072181771	HJ	Annotated	Mild	
Fc1cccc(-c2cc3nc(-c4ccccc4)cc(NCCN4CCCC4)n3n2)c1	ZINC000072181994	HJ	Annotated	Anodyne	
COc1cc(CNCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1OC	ZINC000072182011	HJ	Annotated	Anodyne	
COCCN(/C(=N\O)c1ccc(C)nc1Oc1cc(Cl)ccc1Cl)C(C)C	ZINC000072182138	HJ	Annotated	Mild	
O/N=C(\NCc1c(F)cccc1F)c1ccnc(Oc2cccc3c2CCCC3)c1	ZINC000072182147	HJ	Annotated	Mild	
CCOc1ccccc1CN/C(=N\O)c1ccc(Oc2ccc(C)cc2OC)nc1	ZINC000072182163	HJ	Annotated	Mild	
CCOc1cccc(-c2nc(CN3CCN(C/C=C/c4ccccc4)CC3)co2)c1	ZINC000072182272	HJ	Annotated	Anodyne	
CC(C)c1cccc(Oc2cc(/C(=N/O)N3CCN(c4ccccc4)CC3)ccn2)c1	ZINC000072182437	HJ	Annotated	Mild	
COc1ccc(CN/C(=N\O)c2cccnc2Oc2ccccc2OC(C)C)cc1	ZINC000072182489	HJ	Annotated	Mild	
Cc1ccc(Oc2cc(/C(=N/O)NCc3c(F)cccc3F)ccn2)c2c1CCC2	ZINC000072182558	HJ	Annotated	Mild	
O/N=C(\NCc1cc(F)ccc1F)c1ccc(Oc2cccc3cccnc23)nc1	ZINC000072182730	HJ	Annotated	Mild	
CCOc1ccc(Oc2cc(/C(=N/O)NCc3ccccc3OCC)ccn2)cc1	ZINC000072183189	HJ	Annotated	Mild	
CSc1ccccc1Oc1ncccc1/C(=N/O)N1CCN(c2ccccc2)CC1	ZINC000072183268	HJ	Annotated	Mild	
Cc1ccc(/C(=N/O)N(C)Cc2cccnc2)c(OCc2ccc(C(C)C)cc2)n1	ZINC000072183410	HJ	Annotated	Mild	
COc1ccc(CN/C(=N\O)c2ccnc(Oc3ccc(C)c4c3CCC4)c2)cc1	ZINC000072183567	HJ	Annotated	Mild	
COc1ccc(N2CCN(Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1	ZINC000072183637	HJ	Annotated	Clean	
Cc1cc(C)cc(Oc2ccc(/C(=N/O)N3CCN(c4ccc(F)cc4)CC3)cn2)c1	ZINC000072183774	HJ	Annotated	Mild	
O/N=C(/c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1)N1Cc2ccccc2C1	ZINC000072183924	HJ	Annotated	Mild	
COc1ccccc1CN/C(=N\O)c1ccc(C)nc1Oc1cccc2c1CCCC2	ZINC000072184122	HJ	Annotated	Mild	
COc1cc(-c2nc(CNCc3ccccc3C(F)(F)F)co2)cc(OC)c1OC	ZINC000072184213	HJ	Annotated	Anodyne	
CSc1ccc(Oc2cc(/C(=N/O)NCc3c(F)cccc3F)ccn2)cc1	ZINC000072184253	HJ	Annotated	Mild	
CN(C)CCN(Cc1ccccc1)Cc1coc(-c2ccc(Br)cc2)n1	ZINC000072184315	HJ	Annotated	Anodyne	
Cc1cccc(Oc2nc(C)ccc2/C(=N/O)N2CCN(c3ccc(F)cc3)CC2)c1	ZINC000072184726	HJ	Annotated	Mild	
Cc1ccc(Oc2ncccc2/C(=N/O)NCc2cc(F)ccc2F)c2c1CCC2	ZINC000072184736	HJ	Annotated	Mild	
COc1ccc(OC)c(CCNCc2coc(-c3ccc(Cl)cc3Cl)n2)c1	ZINC000072185049	HJ	Annotated	Anodyne	
COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)NCc1c(F)cccc1F	ZINC000072185097	HJ	Annotated	Mild	
Cc1cc(C)cc(CN/C(=N\O)c2cccnc2Oc2c(F)c(F)cc(F)c2F)c1	ZINC000072185134	HJ	Annotated	Mild	
O/N=C(/c1ccc(Oc2ccc3ccccc3c2)nc1)N1CCN(c2ccccc2)CC1	ZINC000072185192	HJ	Annotated	Mild	
C=CCc1ccc(Oc2cc(/C(=N/O)NCc3cccc(OC)c3)ccn2)c(OC)c1	ZINC000072185253	HJ	Annotated	Mild	
COCCN(/C(=N\O)c1ccc(C)nc1Oc1ccc(SC)c(C)c1)C(C)C	ZINC000072185300	HJ	Annotated	Mild	
Fc1cc(Cl)ccc1[C@@H](NC1CCN(c2nccs2)CC1)c1cccnc1	ZINC000072185308	HJ	Annotated	Anodyne	
Fc1cc(Cl)ccc1[C@H](NC1CCN(c2nccs2)CC1)c1cccnc1	ZINC000072185309	HJ	Annotated	Anodyne	
Cc1cccc(Oc2ncccc2/C(=N/O)N2CCN(c3ccc(F)cc3)CC2)c1C	ZINC000072185324	HJ	Annotated	Mild	
COc1ccc(CN/C(=N\O)c2ccc(C)nc2Oc2cccc3c2CCCC3)cc1	ZINC000072185380	HJ	Annotated	Mild	
Fc1ccc(-c2cc3nc(-c4ccccc4)cc(NCCN4CCCC4)n3n2)cc1	ZINC000072185386	HJ	Annotated	Anodyne	
Cc1ccc(CN[C@@H](c2nc(Cc3ccccc3)c(N3CCOCC3)o2)C2CC2)cc1	ZINC000072185485	HJ	Annotated	Anodyne	
Cc1ccc(CN[C@H](c2nc(Cc3ccccc3)c(N3CCOCC3)o2)C2CC2)cc1	ZINC000072185486	HJ	Annotated	Anodyne	
O/N=C(\NCc1cc(F)cc(F)c1)c1cccnc1Oc1ccc2c(c1)CCCC2	ZINC000072185542	HJ	Annotated	Mild	
Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCN(c3ccc(F)cc3)CC2)cc1	ZINC000072185583	HJ	Annotated	Mild	
CC(C)c1ccc(N/C(=N\O)c2cccnc2Oc2ccc(-n3cncn3)cc2)cc1	ZINC000072185783	HJ	Annotated	Mild	
COc1ccc(CN/C(=N\O)c2cccnc2Oc2ccc(C)c3c2CCC3)cc1	ZINC000072185818	HJ	Annotated	Mild	
CCOc1ccccc1CN/C(=N\O)c1cccnc1Oc1ccc(C)c2c1CCC2	ZINC000072185990	HJ	Annotated	Mild	
Cc1cc(C)cc(CN/C(=N\O)c2ccc(Oc3ccc(-n4ccnc4)cc3)nc2)c1	ZINC000072186023	HJ	Annotated	Mild	
COc1ccc(CN/C(=N\O)c2cccnc2Oc2ccc3c(c2)CCCC3)cc1	ZINC000072186108	HJ	Annotated	Mild	
CSc1ccccc1Oc1ncccc1/C(=N/O)NCc1c(F)cccc1F	ZINC000072186451	HJ	Annotated	Mild	
Cc1ccc(/C(=N/O)NCc2ccccn2)c(Oc2cc(Cl)ccc2Cl)n1	ZINC000072186510	HJ	Annotated	Mild	
COc1ccccc1CN/C(=N\O)c1ccc(C)nc1Oc1ccc(F)c(Cl)c1	ZINC000072186520	HJ	Annotated	Mild	
CCOc1ccccc1-c1nc(CN(Cc2ccccn2)Cc2ccccn2)co1	ZINC000072186586	HJ	Annotated	Anodyne	
O/N=C(\NCc1c(F)cccc1F)c1ccc(Oc2cccc3cccnc23)nc1	ZINC000072186593	HJ	Annotated	Mild	
COc1ccc(CN/C(=N\O)c2cccnc2Oc2ccc(SC)c(C)c2)cc1	ZINC000072186611	HJ	Annotated	Mild	
C[C@H](Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1	ZINC000072315266	HJ	Annotated	Anodyne	
C[C@@H](Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1	ZINC000072315267	HJ	Annotated	Anodyne	
Nc1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2CCN1CCCCC1	ZINC000072316608	HJ	Annotated	Anodyne	
N#Cc1cn(Cc2ccccc2)c2ncc(C(=O)Nc3ccc(F)c(F)c3F)cc12	ZINC000072322798	HJ	Annotated	Mild	 
Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn(C(C)(C)C)c3ncccc23)CC1	ZINC000072322955	HJ	Annotated	Anodyne	 
O=C(c1cnc2c(ccn2C2CCCCC2)c1)N1CCN(c2ccccc2F)CC1	ZINC000072323623	HJ	Annotated	Anodyne	 
C/C=C\c1cc2ccccc2c2c(C(=O)OC)c(C(=O)OC)c(C(=O)OC(C)(C)C)n12	ZINC000073089351	HJ	Annotated	Anodyne	
CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2cc(Br)ccc12	ZINC000073129367	HJ	Annotated	Bother	
COC(=O)c1ccc2[nH]cc([C@H](C(=O)c3ccccc3)[C@H]3C(=O)Nc4ccccc43)c2c1	ZINC000073139200	HJ	Annotated	Anodyne	
COC(=O)c1ccc2[nH]cc([C@@H](C(=O)c3ccccc3)[C@H]3C(=O)Nc4ccccc43)c2c1	ZINC000073139202	HJ	Annotated	Anodyne	
COc1cccc([C@H](C)N(C)CCCNC(=O)CCCC[C@@H]2CCSS2)c1	ZINC000073139268	HJ	Annotated	Reactive	
COc1cccc([C@@H](C)N(C)CCCNC(=O)CCCC[C@@H]2CCSS2)c1	ZINC000073139275	HJ	Annotated	Reactive	
COc1ccc(-c2ncn(C)c2-c2cc(Br)c(OC)c(OC)c2)cc1F	ZINC000073140938	HJ	Annotated	Anodyne	
Cc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccc(Cl)cc2c1=O	ZINC000073141193	HJ	Annotated	Anodyne	
CCNC(=O)c1cc2cc(/C=C/C(=O)c3ccc(C)cc3)c3ccccc3c2oc1=O	ZINC000073157094	HJ	Annotated	Mild	
Cc1ccc(C(=O)/C=C/c2cc3cc(C(=O)N(C)C)c(=O)oc3c3ccccc23)cc1	ZINC000073157102	HJ	Annotated	Mild	
Cc1nc(N2C(=O)CS[C@H]2c2c(Cl)cncc2Cl)ccc1Br	ZINC000073157190	HJ	Annotated	Anodyne	
Cc1nc(N2C(=O)CS[C@@H]2c2c(Cl)cncc2Cl)ccc1Br	ZINC000073157192	HJ	Annotated	Anodyne	
Cc1nc2c3c(ccc2s1)NC1=C(C(=O)OC1)[C@H]3c1ccc(Br)cc1	ZINC000073159803	HJ	Annotated	Anodyne	
Cc1nc2c3c(ccc2s1)NC1=C(C(=O)OC1)[C@@H]3c1ccc(Br)cc1	ZINC000073159806	HJ	Annotated	Anodyne	
N#Cc1c2c(c(SCc3ccccc3Cl)[nH]c1=O)CN(Cc1ccccc1)CC2	ZINC000073160359	HJ	Annotated	Mild	
Cc1noc(NC(=O)N2CCC3(CC2)C[C@H](c2cccc(C(F)(F)F)c2)CO3)c1C	ZINC000073162080	HJ	Annotated	Anodyne	
Cc1noc(NC(=O)N2CCC3(CC2)C[C@@H](c2cccc(C(F)(F)F)c2)CO3)c1C	ZINC000073162083	HJ	Annotated	Anodyne	
Cn1cc(/C=C2\C(O)=NN=C2c2nccs2)c2c(OCc3ccccc3)cccc21	ZINC000073162358	HJ	Annotated	Anodyne	
C[n+]1cn(-c2ccc(-c3ccc(-n4c[n+](C)c5ccccc54)cc3)cc2)c2ccccc21	ZINC000073168783	HJ	Annotated	Anodyne	
Fc1ccccc1Cc1nc(-c2nc(C(F)(F)C(F)(F)F)n[nH]2)n2ccccc12	ZINC000073195928	HJ	Annotated	Anodyne	
O=C(COc1ccccc1Br)c1ccc(NC2Cc3ccccc3C2)nc1	ZINC000073196348	HJ	Annotated	Anodyne	
CNCc1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccccc3Cl)sc1-2	ZINC000073197145	HJ	Annotated	Anodyne	
CN(Cc1cn([C@@H]2CCCC[C@@H]2OC(=O)Cc2ccccc2)nn1)CC1CCCCC1	ZINC000073197298	HJ	Annotated	Anodyne	
CN(Cc1cn([C@H]2CCCC[C@@H]2OC(=O)Cc2ccccc2)nn1)CC1CCCCC1	ZINC000073197299	HJ	Annotated	Anodyne	
Brc1ccc(-n2cc(CSc3nc4ccccc4s3)nn2)cc1	ZINC000073197676	HJ	Annotated	Anodyne	
COC(=O)[C@@]1(Cc2c[nH]c3ccccc23)C[C@H]2COc3ccc4ccccc4c3[C@H]2N1	ZINC000073197737	HJ	Annotated	Anodyne	
Cn1c2c(c3cc(S(=O)(=O)c4csc5ccccc45)ccc31)[C@@H]1CC[C@H](C2)N1	ZINC000073198255	HJ	Annotated	Anodyne	
Cn1c2c(c3cc(S(=O)(=O)c4csc5ccccc45)ccc31)[C@H]1CC[C@@H](C2)N1	ZINC000073198256	HJ	Annotated	Anodyne	
C=CCN1C(=O)[C@@H]2C3=C(C[C@H](C)CC3)S[C@H]2N=C1SCC(=O)c1ccccc1	ZINC000073198347	HJ	Annotated	Mild	
C=CCN1C(=O)[C@@H]2C3=C(C[C@@H](C)CC3)S[C@H]2N=C1SCC(=O)c1ccccc1	ZINC000073198348	HJ	Annotated	Mild	
C=CCN1C(=O)[C@@H]2C3=C(C[C@H](C)CC3)S[C@@H]2N=C1SCC(=O)c1ccccc1	ZINC000073198349	HJ	Annotated	Mild	
C=CCN1C(=O)[C@@H]2C3=C(C[C@@H](C)CC3)S[C@@H]2N=C1SCC(=O)c1ccccc1	ZINC000073198350	HJ	Annotated	Mild	
Cc1nn(-c2ccsc2)c(=O)cc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1	ZINC000073198890	HJ	Annotated	Anodyne	
COc1cc(C[C@@H]2CCCCC2=O)c(Br)c(Br)c1OC	ZINC000073199018	HJ	Annotated	Anodyne	
COc1cc(C[C@H]2CCCCC2=O)c(Br)c(Br)c1OC	ZINC000073199019	HJ	Annotated	Anodyne	
O=C1C(Sc2ccccc2F)=C(Sc2ccccc2F)C(=O)c2ncncc21	ZINC000073218991	HJ	Annotated	Mild	
O=C1C(Sc2ccc(F)cc2)=C(Sc2ccc(F)cc2)C(=O)c2ncncc21	ZINC000073219136	HJ	Annotated	Mild	
CCc1c(C)[nH]c2cc(OCCOc3ccccc3)c(Br)cc2c1=O	ZINC000073219306	HJ	Annotated	Anodyne	
COc1cc(OC)cc(-c2ccc(Cc3cn(Cc4ccc(F)cc4)c(N)n3)cc2)c1	ZINC000073219331	HJ	Annotated	Anodyne	
CCOC(=O)c1c(N)oc2c1c(Sc1ccc(Cl)cc1)c(O)c1ncncc12	ZINC000073219872	HJ	Annotated	Anodyne	
COP(=O)(OC)[C@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(C)cc1	ZINC000073220173	HJ	Annotated	Anodyne	
COP(=O)(OC)[C@@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(C)cc1	ZINC000073220175	HJ	Annotated	Anodyne	
CC(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@H](C)C=O	ZINC000073220258	HJ	Annotated	Anodyne	 
CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@H](C)Cc3ccc(F)cc3)ccc21	ZINC000073220579	HJ	Annotated	Anodyne	
CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@@H](C)Cc3ccc(F)cc3)ccc21	ZINC000073220583	HJ	Annotated	Anodyne	
Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(I)n1	ZINC000073220763	HJ	Annotated	Anodyne	
O=[N+]([O-])c1ccc(Oc2ccc(/C=N/NC(=S)Nc3ccc(F)cc3)cc2)cc1	ZINC000073222218	HJ	Annotated	Mild	
CCOC(=O)c1c(N)oc2c1c(Sc1cccc(Cl)c1)c(O)c1ncncc12	ZINC000073222848	HJ	Annotated	Anodyne	
O=C1C(Sc2cccc(F)c2)=C(Sc2cccc(F)c2)C(=O)c2ncncc21	ZINC000073223742	HJ	Annotated	Mild	
CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1	ZINC000073223841	HJ	Annotated	Mild	in-vitro
O=C(c1nc(C(F)(F)F)[nH]c1-c1ccccc1)N1CCc2c([nH]c3ccccc23)C1	ZINC000073224133	HJ	Annotated	Anodyne	 
CC(=O)c1sc(Nc2ccccc2)c(-c2nnc(NC(=O)c3ccccc3)o2)c1N	ZINC000073224700	HJ	Annotated	Anodyne	
Fc1ccc(NC(=S)N/N=C/c2ccc(Oc3ccc4c(c3)OCO4)cc2)cc1	ZINC000073225024	HJ	Annotated	Mild	
N[C@@H](COCc1ccccc1)c1csc(NC(=O)Nc2ccc(Cl)c(F)c2)n1	ZINC000073239939	HJ	Annotated	Anodyne	
N[C@H](COCc1ccccc1)c1csc(NC(=O)Nc2ccc(Cl)c(F)c2)n1	ZINC000073239942	HJ	Annotated	Anodyne	
OC1=Nc2ccccc2/C1=N/N=C\C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1	ZINC000073259659	HJ	Annotated	Mild	 
COc1ccc(C(=O)/C(=C\c2ccc(F)cc2)S(=O)(=O)Cc2ccccc2)cc1	ZINC000073275038	HJ	Annotated	Mild	
C=CCOC[C@@H]1Cc2c(n(Cc3ccccc3)c3ccccc23)[C@H]2CCCC(=O)N12	ZINC000073277397	HJ	Annotated	Mild	
O=C(N1CCCCC1)N1CC(O[C@@H](c2cccc(Cl)c2)c2cccnc2Cl)C1	ZINC000073279006	HJ	Annotated	Anodyne	
O=C(N1CCCCC1)N1CC(O[C@H](c2cccc(Cl)c2)c2cccnc2Cl)C1	ZINC000073279009	HJ	Annotated	Anodyne	
C=CCOC[C@H]1Cc2c(n(Cc3ccccc3)c3ccccc23)[C@@H]2CCCC(=O)N21	ZINC000073280557	HJ	Annotated	Mild	
Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(C(F)(F)F)cc1	ZINC000073291777	HJ	Annotated	Clean	
COc1ccc(Br)c(-c2nnc3n2N[C@H](c2ccccc2Cl)S3)c1	ZINC000073294533	HJ	Annotated	Anodyne	
COc1ccc(Br)c(-c2nnc3n2N[C@@H](c2ccccc2Cl)S3)c1	ZINC000073294534	HJ	Annotated	Anodyne	
COc1ccc(Br)c(-c2nnc3n2N[C@H](c2ccc(Cl)cc2)S3)c1	ZINC000073294541	HJ	Annotated	Anodyne	
COc1ccc(Br)c(-c2nnc3n2N[C@@H](c2ccc(Cl)cc2)S3)c1	ZINC000073294543	HJ	Annotated	Anodyne	
COc1ccc(Br)c(-c2nnc3n2N[C@H](c2cccc(Cl)c2)S3)c1	ZINC000073294968	HJ	Annotated	Anodyne	
COc1ccc(Br)c(-c2nnc3n2N[C@@H](c2cccc(Cl)c2)S3)c1	ZINC000073294969	HJ	Annotated	Anodyne	
COc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1OC	ZINC000073294987	HJ	Annotated	Anodyne	
CCNc1ncc2c(Nc3cc(C)ccc3Sc3ccc(O)cc3)ncnc2n1	ZINC000073295425	HJ	Annotated	Anodyne	
CCOc1ncc2c(Nc3cc(C)ccc3Sc3ccc(O)cc3)ncnc2n1	ZINC000073296851	HJ	Annotated	Anodyne	
COc1ccc(Br)c(-c2nnc3sc(-c4cc(C)cc(C)c4)nn23)c1	ZINC000073297069	HJ	Annotated	Anodyne	
O=C1[C@H](/N=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)NC(=S)N1c1ccccc1	ZINC000073297253	HJ	Annotated	Clean	
O=C1[C@@H](/N=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)NC(=S)N1c1ccccc1	ZINC000073297256	HJ	Annotated	Clean	
COc1ccc(/N=N/C(=N/NC(=O)c2ccc(C)cc2)c2ccc(N(C)C)cc2)cc1	ZINC000073336562	HJ	Annotated	Reactive	
COc1ccc([C@H]2O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC	ZINC000073389107	HJ	Annotated	Anodyne	
O=C1[C@H](/N=N/c2ccc(-c3nc4ccccc4o3)cc2)NC(=S)N1c1ccccc1	ZINC000073390198	HJ	Annotated	Clean	
O=C1[C@@H](/N=N/c2ccc(-c3nc4ccccc4o3)cc2)NC(=S)N1c1ccccc1	ZINC000073390201	HJ	Annotated	Clean	
CCCn1c(-c2ccc(F)cc2)nc2c(NCCCCN(CC)CC)nc(C)nc21	ZINC000007991783	HJ	Annotated	Anodyne	 
CCCn1c(-c2ccc(F)cc2)nc2c(NCCN(C(C)C)C(C)C)nc(C)nc21	ZINC000007991792	HJ	Annotated	Anodyne	 
CCN(CC)CCC[C@@H](C)n1c(-c2ccccc2)nc2c(NCCOC)nc(C)nc21	ZINC000007991808	HJ	Annotated	Anodyne	 
CCN(CC)CCC[C@H](C)n1c(-c2ccccc2)nc2c(NCCOC)nc(C)nc21	ZINC000007991809	HJ	Annotated	Anodyne	 
Cc1nc(NCc2ccccc2)c2nc(-c3ccccc3)n(CCN3CCCC3)c2n1	ZINC000007991825	HJ	Annotated	Anodyne	 
Cc1nc(NCc2ccccc2)c2nc(-c3ccccc3)n([C@@H](C)CN(C)C)c2n1	ZINC000007991841	HJ	Annotated	Anodyne	 
Cc1nc(NCc2ccccc2)c2nc(-c3ccccc3)n([C@H](C)CN(C)C)c2n1	ZINC000007991842	HJ	Annotated	Anodyne	 
Cc1nc(NC2CCCCC2)c2nc(-c3ccccc3)n(CC3CCN(C)CC3)c2n1	ZINC000007991849	HJ	Annotated	Anodyne	 
CCN(CC)CCn1c(-c2ccccc2)nc2c(NCc3ccccc3)nc(C)nc21	ZINC000007991863	HJ	Annotated	Anodyne	 
CCN(CC)CCn1c(-c2ccccc2)nc2c(NC3CCCCC3)nc(C)nc21	ZINC000007991864	HJ	Annotated	Anodyne	 
C[C@@H]1Cc2c(-c3ccccc3)nc3c(c2CO1)CN(CCOc1ccccc1)CC3	ZINC000007991985	HJ	Annotated	Anodyne	 
C[C@H]1Cc2c(-c3ccccc3)nc3c(c2CO1)CN(CCOc1ccccc1)CC3	ZINC000007991986	HJ	Annotated	Anodyne	 
CCCCCCC1=Cc2cc(OC)c(OC)cc2[C@H]([C@@H](C(C)=O)C(=O)OCC)O1	ZINC000007992319	HJ	Annotated	Anodyne	 
CCCCCCC1=Cc2cc(OC)c(OC)cc2[C@@H]([C@@H](C(C)=O)C(=O)OCC)O1	ZINC000007992320	HJ	Annotated	Anodyne	 
CCCCCCC1=Cc2cc(OC)c(OC)cc2[C@H]([C@H](C(C)=O)C(=O)OCC)O1	ZINC000007992321	HJ	Annotated	Anodyne	 
CCCCCCC1=Cc2cc(OC)c(OC)cc2[C@@H]([C@H](C(C)=O)C(=O)OCC)O1	ZINC000007992322	HJ	Annotated	Anodyne	 
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@]2(C)[C@@H]3C[C@H]3CC(C)=CC(=O)[C@H]32)C1	ZINC000007996046	HJ	Annotated	Anodyne	 
COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)N2CCCCC2)cc1	ZINC000007998344	HJ	Annotated	Anodyne	
COC(=O)C/C=C\[C@@H](C)[C@@H](/C=N\OC[C@@H](C)[C@H](OCc1ccccc1)C(C)C)OC	ZINC000007998436	HJ	Annotated	Mild	
C[C@H]1N(P(=O)(c2ccccc2)c2ccccc2)C[C@](O)(c2ccccc2)CC12CC2	ZINC000008019450	HJ	Annotated	Reactive	 
C[C@@]1([C@@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)C[C@H]1CCO	ZINC000008020369	HJ	Annotated	Reactive	 
O=S(=O)(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(F)cc1F	ZINC000008195519	HJ	Annotated	Clean	 
FC(F)(F)c1cccc(CN2CCN(c3ncnc4sc5c(c34)CCC5)CC2)c1	ZINC000008203759	HJ	Annotated	Anodyne	 
CCN(c1ccc(-c2csc(C(C#N)=C3CCCCC3)n2)cc1)S(C)(=O)=O	ZINC000008209792	HJ	Annotated	Reactive	 
COc1cc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc(Br)c1O	ZINC000082047396	HJ	Annotated	Mild	
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccco4)C[C@@H]4CCCO4)[C@H]3C[C@@H]12	ZINC000082051159	HJ	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccco4)C[C@@H]4CCCO4)[C@H]3C[C@H]12	ZINC000082051161	HJ	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(C)c5)[C@@H](C)C4)[C@H]3C[C@H]12	ZINC000082051187	HJ	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(C)cc5C)CC4)[C@H]3C[C@H]12	ZINC000082051225	HJ	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(C)cc5C)CC4)[C@H]3C[C@H]12	ZINC000082051226	HJ	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCc5[nH]c6ccccc6c5C4)[C@H]3C[C@@H]12	ZINC000082051363	HJ	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCc5[nH]c6ccccc6c5C4)[C@H]3C[C@H]12	ZINC000082051365	HJ	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCc5[nH]c6ccccc6c5C4)[C@H]3C[C@@H]12	ZINC000082051366	HJ	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCc5[nH]c6ccccc6c5C4)[C@H]3C[C@H]12	ZINC000082051367	HJ	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cc(C)ccc5C)CC4)[C@H]3C[C@H]12	ZINC000082051457	HJ	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5cc(C)ccc5C)CC4)[C@H]3C[C@H]12	ZINC000082051459	HJ	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC(=NNc5ccccc5)CC4)[C@H]3C[C@@H]12	ZINC000082051953	HJ	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC(=NNc5ccccc5)CC4)[C@H]3C[C@H]12	ZINC000082051958	HJ	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC(=NNc5ccccc5)CC4)[C@H]3C[C@@H]12	ZINC000082051959	HJ	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC(=NNc5ccccc5)CC4)[C@H]3C[C@H]12	ZINC000082051962	HJ	Annotated	Mild	 
COc1ccc2[nH]cc(CCNC[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@H]34)c2c1	ZINC000082051987	HJ	Annotated	Anodyne	 
COc1ccc2[nH]cc(CCNC[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)c2c1	ZINC000082051990	HJ	Annotated	Anodyne	 
C[C@@H](Cc1nsc(Nc2ccc(F)c(Cl)c2)n1)N(C)C(=O)Nc1ccncc1	ZINC000082052281	HJ	Annotated	Anodyne	 
C[C@H](Cc1nsc(Nc2ccc(F)c(Cl)c2)n1)N(C)C(=O)Nc1ccncc1	ZINC000082052283	HJ	Annotated	Anodyne	 
C/C(Cc1nsc(Nc2ccc(Cl)c(Cl)c2)n1)=N\NC(=O)c1ccccc1	ZINC000082052286	HJ	Annotated	Reactive	 
S=C(Nc1ccccc1)N1C[C@H](CBr)S/C1=N\c1ccccc1	ZINC000082052467	HJ	Annotated	Reactive	 
S=C(Nc1ccccc1)N1C[C@@H](CBr)S/C1=N\c1ccccc1	ZINC000082052470	HJ	Annotated	Reactive	 
COc1ccc(CN(Cc2ccccc2)C2=NC[C@H](CBr)S2)cc1	ZINC000082052527	HJ	Annotated	Reactive	 
COc1ccc(CN(Cc2ccccc2)C2=NC[C@@H](CBr)S2)cc1	ZINC000082052528	HJ	Annotated	Reactive	 
CC(C)(C)c1cc([C@@H](O)[P@](=O)(O)CCc2ccncc2)cc(C(C)(C)C)c1O	ZINC000082052701	HJ	Annotated	Anodyne	 
CC(C)(C)c1cc([C@H](O)[P@](=O)(O)CCc2ccncc2)cc(C(C)(C)C)c1O	ZINC000082052704	HJ	Annotated	Anodyne	 
CC(C)(C)c1cc([C@@H](O)[P@](=O)(O)CCc2ccccn2)cc(C(C)(C)C)c1O	ZINC000082052757	HJ	Annotated	Anodyne	 
CC(C)(C)c1cc([C@H](O)[P@](=O)(O)CCc2ccccn2)cc(C(C)(C)C)c1O	ZINC000082052758	HJ	Annotated	Anodyne	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4c(C)[nH]c5ccccc45)[C@H]3C[C@H]12	ZINC000082053013	HJ	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4c(C)[nH]c5ccccc45)[C@H]3C[C@H]12	ZINC000082053014	HJ	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4c(C)[nH]c5ccccc45)[C@H]3C[C@@H]12	ZINC000082053017	HJ	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4c(C)[nH]c5ccccc45)[C@H]3C[C@@H]12	ZINC000082053018	HJ	Annotated	Mild	 
Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)cc(C(F)(F)Oc3ccccc3)c12	ZINC000082053407	HJ	Annotated	Anodyne	 
COc1ccc(Br)cc1[C@H]1C2=C(O)CCCC2=NC2=C1C(=O)CCC2	ZINC000082055673	HJ	Annotated	Mild	
C=C(C)CN(CC)c1nc(NCc2ccccc2F)nc(Oc2ccc(OC)cc2)n1	ZINC000082065805	HJ	Annotated	Mild	
C=C(C)CN(CC)c1nc(NCc2ccccc2C)nc(Oc2ccc(OC)cc2)n1	ZINC000082065844	HJ	Annotated	Mild	
C=C(C)CN(CC)c1nc(NCc2cccc(C)c2)nc(Oc2ccc(OC)cc2)n1	ZINC000082065855	HJ	Annotated	Mild	
COc1ccc(Oc2nc(NCc3ccccc3C)nc(N3CCC(C)CC3)n2)cc1	ZINC000082066030	HJ	Annotated	Anodyne	
COc1ccc(Oc2nc(NCc3cccc(C)c3)nc(N3CCC(C)CC3)n2)cc1	ZINC000082066065	HJ	Annotated	Anodyne	
COc1ccc(Oc2nc(NCc3cccc(Cl)c3)nc(N3CC=CCC3)n2)cc1	ZINC000082066071	HJ	Annotated	Anodyne	
COc1ccc(Oc2nc(NCc3ccc(F)cc3)nc(N3CCC(C)CC3)n2)cc1	ZINC000082066082	HJ	Annotated	Anodyne	
COc1ccc(Oc2nc(NCc3ccccc3F)nc(N3CCC(C)CC3)n2)cc1	ZINC000082066099	HJ	Annotated	Anodyne	
CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N(CC)CC)n1	ZINC000082066226	HJ	Annotated	Anodyne	
C=CCN(CC=C)c1nc(NCc2ccccc2C)nc(Oc2ccc(OC)cc2)n1	ZINC000082066272	HJ	Annotated	Mild	
C=CCN(CC=C)c1nc(NCc2cccc(C)c2)nc(Oc2ccc(OC)cc2)n1	ZINC000082066289	HJ	Annotated	Mild	
C=CCN(C)c1nc(NCc2cccc(Cl)c2)nc(Oc2ccc(OC)cc2)n1	ZINC000082066298	HJ	Annotated	Mild	
C=CCN(CC=C)c1nc(NCc2ccccc2F)nc(Oc2ccc(OC)cc2)n1	ZINC000082066306	HJ	Annotated	Mild	
C=CCN(C)c1nc(NCc2ccccc2Cl)nc(Oc2ccc(OC)cc2)n1	ZINC000082066356	HJ	Annotated	Mild	
COc1ccc(Oc2nc(NCc3ccco3)nc(N(C)C3CCCCC3)n2)cc1	ZINC000082066389	HJ	Annotated	Anodyne	
CCCN(CC1CC1)c1nc(NCc2ccco2)nc(Oc2ccc(OC)cc2)n1	ZINC000082066395	HJ	Annotated	Anodyne	
CCN(c1nc(N[C@@H](C)CC#N)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1	ZINC000082066489	HJ	Annotated	Mild	
CCN(c1nc(N[C@H](C)CC#N)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1	ZINC000082066490	HJ	Annotated	Mild	
C=C(C)CN(CC)c1nc(NCc2cccc(F)c2)nc(Oc2ccc(OC)cc2)n1	ZINC000082066563	HJ	Annotated	Mild	
CC[C@@H]1CCCCN1c1nc(NCc2ccco2)nc(Oc2ccc(OC)cc2)n1	ZINC000082066614	HJ	Annotated	Anodyne	
CC[C@H]1CCCCN1c1nc(NCc2ccco2)nc(Oc2ccc(OC)cc2)n1	ZINC000082066615	HJ	Annotated	Anodyne	
COc1ccc(Oc2nc(N[C@@H](C)CC#N)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1	ZINC000082066666	HJ	Annotated	Mild	
COc1ccc(Oc2nc(N[C@H](C)CC#N)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1	ZINC000082066667	HJ	Annotated	Mild	
COc1ccc(Oc2nc(NCC3CCCCC3)nc(N3CCC(C)CC3)n2)cc1	ZINC000082066735	HJ	Annotated	Anodyne	
COc1ccc(Oc2nc(NCc3cccc(F)c3)nc(N3CCC(C)CC3)n2)cc1	ZINC000082066775	HJ	Annotated	Anodyne	
COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N3CCCC3)n2)cc1	ZINC000082066835	HJ	Annotated	Anodyne	
COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N3CCCC3)n2)cc1	ZINC000082066836	HJ	Annotated	Anodyne	
COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N3CC=CCC3)n2)cc1	ZINC000082066848	HJ	Annotated	Anodyne	
COc1ccc(Oc2nc(N[C@H]3CCc4ccccc43)nc(N3CC=CCC3)n2)cc1	ZINC000082066849	HJ	Annotated	Anodyne	
CCN(CC)c1nc(N[C@@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1	ZINC000082066977	HJ	Annotated	Anodyne	
CCN(CC)c1nc(N[C@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1	ZINC000082066978	HJ	Annotated	Anodyne	
C=CCN(CC=C)c1nc(NCC2CCCCC2)nc(Oc2ccc(OC)cc2)n1	ZINC000082066994	HJ	Annotated	Mild	
COc1ccc(Oc2nc(N[C@@H](C)CC#N)nc(N(CC(C)C)CC(C)C)n2)cc1	ZINC000082067010	HJ	Annotated	Mild	
COc1ccc(Oc2nc(N[C@H](C)CC#N)nc(N(CC(C)C)CC(C)C)n2)cc1	ZINC000082067011	HJ	Annotated	Mild	
CCN(CC)c1nc(N[C@@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1	ZINC000082067035	HJ	Annotated	Anodyne	
CCN(CC)c1nc(N[C@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1	ZINC000082067036	HJ	Annotated	Anodyne	
CCN(CC)c1nc(NC[C@@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1	ZINC000082067096	HJ	Annotated	Anodyne	
CCN(CC)c1nc(NC[C@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1	ZINC000082067097	HJ	Annotated	Anodyne	
CC[C@@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(CC)Cc2ccccc2)n1	ZINC000082067098	HJ	Annotated	Anodyne	
CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(CC)Cc2ccccc2)n1	ZINC000082067099	HJ	Annotated	Anodyne	
C=CCN(CC=C)c1nc(NCc2cccc(F)c2)nc(Oc2ccc(OC)cc2)n1	ZINC000082067102	HJ	Annotated	Mild	
C=CCN(C)c1nc(NC[C@H]2CC[C@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1	ZINC000082067103	HJ	Annotated	Mild	
C=CCN(C)c1nc(NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1	ZINC000082067104	HJ	Annotated	Mild	
CCCCCCN(C)c1nc(NCc2ccco2)nc(Oc2ccc(OC)cc2)n1	ZINC000082067112	HJ	Annotated	Anodyne	
COc1ccc(Oc2nc(NCc3ccco3)nc(N(C)Cc3ccccc3)n2)cc1	ZINC000082067161	HJ	Annotated	Anodyne	
C=CCN(C)c1nc(N[C@@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1	ZINC000082067230	HJ	Annotated	Mild	
C=CCN(C)c1nc(N[C@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1	ZINC000082067231	HJ	Annotated	Mild	
C=CCN(c1nc(N[C@@H](C)CC#N)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1	ZINC000082067242	HJ	Annotated	Mild	
C=CCN(c1nc(N[C@H](C)CC#N)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1	ZINC000082067243	HJ	Annotated	Mild	
COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N(C)C(C)C)n2)cc1	ZINC000082067272	HJ	Annotated	Anodyne	
COc1ccc(Oc2nc(N[C@H]3CCc4ccccc43)nc(N(C)C(C)C)n2)cc1	ZINC000082067273	HJ	Annotated	Anodyne	
C=CCN(C)c1nc(NC[C@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1	ZINC000082067296	HJ	Annotated	Mild	
C=CCN(C)c1nc(NC[C@@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1	ZINC000082067297	HJ	Annotated	Mild	
CC[C@@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(C)CCc2ccccc2)n1	ZINC000082067298	HJ	Annotated	Anodyne	
CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(C)CCc2ccccc2)n1	ZINC000082067300	HJ	Annotated	Anodyne	
c1ccc(N2CCN(c3cc(Oc4ccc5oc6ccccc6c5c4)ncn3)CC2)nc1	ZINC000082067322	HJ	Annotated	Anodyne	
COc1cc(OC)cc(Oc2cc(NCc3ccccc3C(F)(F)F)ncn2)c1	ZINC000082067330	HJ	Annotated	Anodyne	
COc1ccc(CCNc2cc(Oc3cccc(F)c3)ncn2)cc1Br	ZINC000082067360	HJ	Annotated	Anodyne	
COc1ccc(CCNc2cc(Oc3ccccc3F)ncn2)cc1Br	ZINC000082067455	HJ	Annotated	Anodyne	
O=C1CCCN1CCCNc1cc(Oc2ccc3oc4ccccc4c3c2)ncn1	ZINC000082067518	HJ	Annotated	Anodyne	
COc1cc(OC)cc(Oc2cc(NCc3ccc(C(F)(F)F)cc3)ncn2)c1	ZINC000082067629	HJ	Annotated	Anodyne	
Cc1ccc(Oc2cncc(NCc3ccccc3)n2)c(-n2nc3ccccc3n2)c1	ZINC000082068699	HJ	Annotated	Anodyne	
CCc1nc(C(=O)NCc2ccc(C(=O)OCCC3CCCCC3)cc2)cs1	ZINC000082069912	HJ	Annotated	Anodyne	
CC(C)[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCCC1=CCCCC1	ZINC000082069932	HJ	Annotated	Anodyne	
CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCCC1=CCCCC1	ZINC000082069933	HJ	Annotated	Anodyne	
Cc1ccc(-c2nc(C(=O)N[C@H](C(=O)OCCC3CCCCC3)C(C)C)co2)cc1	ZINC000082070318	HJ	Annotated	Anodyne	
Cc1ccc(-c2nc(C(=O)N[C@@H](C(=O)OCCC3CCCCC3)C(C)C)co2)cc1	ZINC000082070319	HJ	Annotated	Anodyne	
Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)OCCC2CCCCC2)C(C)C)co1	ZINC000082070344	HJ	Annotated	Anodyne	
Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OCCC2CCCCC2)C(C)C)co1	ZINC000082070345	HJ	Annotated	Anodyne	
O=C(NCc1ccco1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	ZINC000082074792	HJ	Annotated	Anodyne	
CCCCN(CCCC)CCNC(=O)c1csc(-c2ccccc2OCC)n1	ZINC000082074961	HJ	Annotated	Anodyne	
CN(C)C(C)(C)COC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	ZINC000082075117	HJ	Annotated	Anodyne	
CN(C)CCCCOC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	ZINC000082075119	HJ	Annotated	Anodyne	
CN(C)c1ccc([C@H](O)c2nnc(Nc3cc(C(F)(F)F)ccc3F)s2)cc1	ZINC000082078045	HJ	Annotated	Anodyne	 
CN(C)c1ccc([C@@H](O)c2nnc(Nc3cc(C(F)(F)F)ccc3F)s2)cc1	ZINC000082078047	HJ	Annotated	Anodyne	 
O[C@H](c1cc(F)c(F)c(F)c1)c1nnc(Nc2cc(C(F)(F)F)ccc2F)s1	ZINC000082078110	HJ	Annotated	Mild	 
O[C@@H](c1cc(F)c(F)c(F)c1)c1nnc(Nc2cc(C(F)(F)F)ccc2F)s1	ZINC000082078111	HJ	Annotated	Mild	 
O[C@H](c1ccc2c(c1)OCO2)c1nnc(Nc2cccc(Oc3ccccc3)c2)s1	ZINC000082078134	HJ	Annotated	Anodyne	 
O[C@@H](c1ccc2c(c1)OCO2)c1nnc(Nc2cccc(Oc3ccccc3)c2)s1	ZINC000082078136	HJ	Annotated	Anodyne	 
O[C@@H](c1ccc(Oc2ccccc2)cc1)c1nnc(Nc2ccc3c(c2)OCO3)s1	ZINC000082078289	HJ	Annotated	Anodyne	 
O[C@H](c1ccc(Oc2ccccc2)cc1)c1nnc(Nc2ccc3c(c2)OCO3)s1	ZINC000082078293	HJ	Annotated	Anodyne	 
COc1cccc(Nc2nccc3c2cc(-c2ccc(C(=O)N(C)C)cc2)n3C)c1	ZINC000082078409	HJ	Annotated	Anodyne	 
COc1ccc(-c2cnc3c(/N=C/O)cc(-c4ccc(N(C)C)cc4)cn23)cc1OC	ZINC000082078426	HJ	Annotated	Mild	 
CN(C)c1cccc([C@H](O)c2nnc(Nc3cc(C(F)(F)F)ccc3F)s2)c1	ZINC000082078430	HJ	Annotated	Anodyne	 
CN(C)c1cccc([C@@H](O)c2nnc(Nc3cc(C(F)(F)F)ccc3F)s2)c1	ZINC000082078432	HJ	Annotated	Anodyne	 
COc1cc(-c2n[nH]c3ccnc(-c4ccc(/N=C(\C)O)cc4)c23)cc(OC)c1OC	ZINC000082078603	HJ	Annotated	Mild	 
CC(C)Oc1cccc(Nc2cc3[nH]c(-c4ccc(C(=O)N(C)C)cc4)cc3cn2)c1	ZINC000082078607	HJ	Annotated	Anodyne	 
O/C(=N\c1ccc2c(c1)OCO2)c1csc([C@@H](O)c2cccc(C(F)(F)F)c2)n1	ZINC000082078793	HJ	Annotated	Mild	 
O/C(=N\c1ccc2c(c1)OCO2)c1csc([C@H](O)c2cccc(C(F)(F)F)c2)n1	ZINC000082078795	HJ	Annotated	Mild	 
COc1ccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3Cc2ccccc2)cc1	ZINC000082078872	HJ	Annotated	Anodyne	 
COc1ccccc1/N=C(\O)c1csc([C@H](O)c2cccc(C(F)(F)F)c2)n1	ZINC000082078873	HJ	Annotated	Mild	 
COc1ccccc1/N=C(\O)c1csc([C@@H](O)c2cccc(C(F)(F)F)c2)n1	ZINC000082078876	HJ	Annotated	Mild	 
CN(c1ccccc1)c1nnc([C@H](O)c2cccc(OCc3ccccc3)c2)s1	ZINC000082078898	HJ	Annotated	Anodyne	 
CN(c1ccccc1)c1nnc([C@@H](O)c2cccc(OCc3ccccc3)c2)s1	ZINC000082078900	HJ	Annotated	Anodyne	 
O/C(=N\c1ccc2nc(-c3ccsc3)nn2c1)c1cccc(OC(F)(F)F)c1	ZINC000082078902	HJ	Annotated	Mild	 
O=C(NCC1CCCCC1)c1ccc(CNC(=O)c2coc(-c3cccs3)n2)cc1	ZINC000082081718	HJ	Annotated	Anodyne	
O/C(=N\c1cccc(C(F)(F)F)c1)Nc1ccc2nc(Cc3ccccc3)nn2c1	ZINC000082081847	HJ	Annotated	Mild	 
COc1ccccc1Nc1nnc([C@H](O)c2cccc(OCc3ccccc3)c2)s1	ZINC000082081860	HJ	Annotated	Anodyne	 
COc1ccccc1Nc1nnc([C@@H](O)c2cccc(OCc3ccccc3)c2)s1	ZINC000082081863	HJ	Annotated	Anodyne	 
Cn1c(NCc2ccccc2)nc2cnc(Nc3ccc(OC(F)(F)F)cc3)cc21	ZINC000082081875	HJ	Annotated	Anodyne	 
CSc1ccc([C@H](O)c2nnc(Nc3cccc(OC(F)(F)F)c3)s2)cc1	ZINC000082081905	HJ	Annotated	Anodyne	 
CSc1ccc([C@@H](O)c2nnc(Nc3cccc(OC(F)(F)F)c3)s2)cc1	ZINC000082081906	HJ	Annotated	Anodyne	 
Cn1c(NC[C@@H]2CCCO2)nc2cnc(Nc3ccc(Oc4ccccc4)cc3)cc21	ZINC000082081975	HJ	Annotated	Anodyne	 
Cn1c(NC[C@H]2CCCO2)nc2cnc(Nc3ccc(Oc4ccccc4)cc3)cc21	ZINC000082081978	HJ	Annotated	Anodyne	 
CNc1nc2cnc(Nc3ccc(OC(F)(F)F)cc3)cc2n1Cc1ccccc1	ZINC000082082004	HJ	Annotated	Anodyne	 
COc1ccc(/C(O)=N/c2ccc3nc(-c4cccc(Cl)c4)nn3c2)cc1OC	ZINC000082082016	HJ	Annotated	Anodyne	 
O/C(=N\c1ccc2nc(-c3ccoc3)nn2c1)Nc1ccc(OC(F)(F)F)cc1	ZINC000082082074	HJ	Annotated	Anodyne	 
CN(C)CC/N=C(\O)c1cccc(-c2cnc3ccc(-c4cccc(Cl)c4)nn23)c1	ZINC000082082126	HJ	Annotated	Anodyne	 
C/N=C(\O)c1cccc(-c2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)c1	ZINC000082082297	HJ	Annotated	Mild	 
COc1cc(Nc2nccc3[nH]c(-c4ccc(F)c(F)c4)nc23)cc(OC)c1OC	ZINC000082082449	HJ	Annotated	Anodyne	 
COc1cccc(C#Cc2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)c1	ZINC000082082459	HJ	Annotated	Mild	 
COc1cc(-c2ccc3ncc(-c4ccc(/N=C(\C)O)cc4)n3n2)cc(OC)c1OC	ZINC000082082543	HJ	Annotated	Mild	 
COc1cc(-c2ccc3ncc(-c4cccc(/N=C(\C)O)c4)n3n2)cc(OC)c1OC	ZINC000082082576	HJ	Annotated	Mild	 
CN(C)c1cccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3Cc2ccccc2)c1	ZINC000082082649	HJ	Annotated	Anodyne	 
COc1cc(-c2ccc3nnc(-c4ccc(/N=C(\C)O)cc4)n3c2)cc(OC)c1OC	ZINC000082082657	HJ	Annotated	Mild	 
CC(C)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCC1CCCCC1	ZINC000082082672	HJ	Annotated	Anodyne	
CC(C)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCC1CCCCC1	ZINC000082082674	HJ	Annotated	Anodyne	
COc1ccc(Nc2cc3c(cn2)nc(-c2ccc(OC)c(OC)c2)n3C)c(C)c1	ZINC000082082753	HJ	Annotated	Anodyne	 
C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)NCCC1=CCCCC1	ZINC000082082905	HJ	Annotated	Anodyne	
C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)NCCC1=CCCCC1	ZINC000082082907	HJ	Annotated	Anodyne	
O/C(=N\c1ccc2nc(Cc3ccccc3)nn2c1)c1cccc(OC(F)(F)F)c1	ZINC000082082921	HJ	Annotated	Mild	 
COc1ccc(Nc2cc3c(cn2)ncn3Cc2ccc(OC)c(OC)c2)c(C)c1	ZINC000082082951	HJ	Annotated	Anodyne	 
C[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCCC1=CCCCC1	ZINC000082083067	HJ	Annotated	Anodyne	
C[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCCC1=CCCCC1	ZINC000082083070	HJ	Annotated	Anodyne	
COc1ccc(Cn2cnc3cnc(Nc4cccc(/N=C(\C)O)c4)cc32)cc1OC	ZINC000082083214	HJ	Annotated	Mild	 
CN(C)C(=O)c1ccc(-c2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3c2)cc1	ZINC000082083334	HJ	Annotated	Anodyne	 
CC(C)CNc1ccc2c(n1)C(=O)N([C@H](C)/C(O)=N/[C@@H]1CCCc3ccccc31)C2	ZINC000082083460	HJ	Annotated	Mild	 
C[C@H](/N=C(\O)[C@@H](C)N1Cc2ccc(-c3ccc(C#N)cc3)nc2C1=O)c1ccccc1	ZINC000082083492	HJ	Annotated	Mild	 
CC(C)(C)c1ccc([C@H](O)c2nc(/C(O)=N/c3ccc4c(c3)OCO4)cs2)cc1	ZINC000082083726	HJ	Annotated	Mild	 
CC(C)(C)c1ccc([C@@H](O)c2nc(/C(O)=N/c3ccc4c(c3)OCO4)cs2)cc1	ZINC000082083729	HJ	Annotated	Mild	 
COc1cccc(/N=C(\O)[C@@H](C)N2Cc3ccc(-c4cccc(F)c4)nc3C2=O)c1	ZINC000082083746	HJ	Annotated	Mild	 
O=C1c2nc(-c3cccc(F)c3)ccc2CN1C1(/C(O)=N/Cc2ccccc2)CC1	ZINC000082083827	HJ	Annotated	Mild	 
C[C@@H](/N=C(\O)[C@@H](C)N1Cc2ccc(-c3cccc(F)c3)nc2C1=O)c1ccccc1	ZINC000082083899	HJ	Annotated	Mild	 
C[C@H](/N=C(\O)[C@@H](C)N1Cc2ccc(-c3cccc(F)c3)nc2C1=O)c1ccccc1	ZINC000082083977	HJ	Annotated	Mild	 
C[C@H](/C(O)=N/[C@@H]1CCCc2ccccc21)N1Cc2ccc(-c3cccnc3)nc2C1=O	ZINC000082084021	HJ	Annotated	Mild	 
C[C@H](/C(O)=N/Cc1ccc(F)cc1)N1Cc2ccc(-c3cccc(F)c3)nc2C1=O	ZINC000082084025	HJ	Annotated	Mild	 
O[C@H](c1ccc(Cl)cc1)c1nnc(Nc2cccc(OC(F)(F)F)c2)s1	ZINC000082084128	HJ	Annotated	Anodyne	 
O[C@@H](c1ccc(Cl)cc1)c1nnc(Nc2cccc(OC(F)(F)F)c2)s1	ZINC000082084129	HJ	Annotated	Anodyne	 
O=C(N[C@H](CO)CSCc1ccccc1)c1coc(-c2ccc3ccccc3c2)n1	ZINC000082084527	HJ	Annotated	Anodyne	
O=C(N[C@@H](CO)CSCc1ccccc1)c1coc(-c2ccc3ccccc3c2)n1	ZINC000082084528	HJ	Annotated	Anodyne	
COc1ccc(Cn2cnc3cnc(Nc4ccc(/N=C(\C)O)cc4)cc32)cc1OC	ZINC000082084586	HJ	Annotated	Mild	 
O=C(CNC(=O)c1csc(-c2ccc(Cl)cc2)n1)OCCC1CCCCC1	ZINC000082084956	HJ	Annotated	Anodyne	
O=C(OCCC1CCCCC1)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1	ZINC000082085539	HJ	Annotated	Anodyne	
O=C(OCCC1CCCCC1)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1	ZINC000082085540	HJ	Annotated	Anodyne	
CN(CC(=O)NCCC1=CCCCC1)C(=O)c1csc(-c2ccc(Cl)cc2)n1	ZINC000082085633	HJ	Annotated	Anodyne	
CN(CC(=O)NCCC1=CCCCC1)C(=O)c1coc(-c2ccc3ccccc3c2)n1	ZINC000082085671	HJ	Annotated	Anodyne	
CCCC[C@@H](CC)CNc1nc(NCCCCCO)nc2cc(OC)c(OC)cc12	ZINC000082127735	HJ	Annotated	Anodyne	
CCCC[C@H](CC)CNc1nc(NCCCCCO)nc2cc(OC)c(OC)cc12	ZINC000082127739	HJ	Annotated	Anodyne	
COc1cc2nc(NCCCOC(C)C)nc(NCc3ccc(C)cc3)c2cc1OC	ZINC000082130425	HJ	Annotated	Anodyne	
COc1ccccc1CCNc1nc(NCCC(C)C)c2cc(OC)c(OC)cc2n1	ZINC000082130590	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccccc3)n2)C1	ZINC000082132564	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccccc3)n2)C1	ZINC000082132565	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccccc3)n2)C1	ZINC000082132568	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccccc3)n2)C1	ZINC000082132570	HJ	Annotated	Anodyne	
C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccccc2)C[C@H]2C[C@@H]1C2(C)C	ZINC000082132668	HJ	Annotated	Anodyne	
C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2)C[C@H]2C[C@@H]1C2(C)C	ZINC000082132677	HJ	Annotated	Anodyne	
CCN(C)c1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccccc2)n1	ZINC000082132711	HJ	Annotated	Anodyne	
Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccccc3)n2)o1	ZINC000082133177	HJ	Annotated	Anodyne	
Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccccc3)n2)o1	ZINC000082133178	HJ	Annotated	Anodyne	
Cc1ccc(CNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccccc3)n2)o1	ZINC000082133179	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccccc2)C1	ZINC000082133324	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccccc2)C1	ZINC000082133325	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccccc2)C1	ZINC000082133326	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccccc3)n2)C1	ZINC000082133407	HJ	Annotated	Anodyne	
C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccccc3)n2)C1	ZINC000082133409	HJ	Annotated	Anodyne	
C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccccc3)n2)C1	ZINC000082133411	HJ	Annotated	Anodyne	
CC1CCN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3)n2)CC1	ZINC000082133447	HJ	Annotated	Anodyne	
CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCCC2)nc1-c1ccccc1	ZINC000082133972	HJ	Annotated	Anodyne	
C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1	ZINC000082134375	HJ	Annotated	Bother	
C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1	ZINC000082134378	HJ	Annotated	Bother	
C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1	ZINC000082134381	HJ	Annotated	Bother	
C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1	ZINC000082134382	HJ	Annotated	Bother	
CC(C)CN(C)C(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1	ZINC000082134452	HJ	Annotated	Bother	
CC[C@@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000082134841	HJ	Annotated	Bother	
CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000082134845	HJ	Annotated	Bother	
CC[C@@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000082134846	HJ	Annotated	Bother	
CC[C@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000082134849	HJ	Annotated	Bother	
CN(C(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1	ZINC000082135170	HJ	Annotated	Bother	
CC[C@@H](C)Nc1ncc(C(=O)N(C)C2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000082135462	HJ	Annotated	Bother	
CC[C@H](C)Nc1ncc(C(=O)N(C)C2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000082135463	HJ	Annotated	Bother	
C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NC3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1	ZINC000082135539	HJ	Annotated	Bother	
C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NC3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1	ZINC000082135540	HJ	Annotated	Bother	
C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NC3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1	ZINC000082135541	HJ	Annotated	Bother	
CC1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccc(F)cc3)n2)CC1	ZINC000082139261	HJ	Annotated	Anodyne	
CC1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccc(F)cc3)n2)CC1	ZINC000082139263	HJ	Annotated	Anodyne	
CC1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccc(F)cc3)n2)CC1	ZINC000082139264	HJ	Annotated	Anodyne	
CC1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccc(F)cc3)n2)CC1	ZINC000082139266	HJ	Annotated	Anodyne	
CC(C)CN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(F)cc1	ZINC000082139314	HJ	Annotated	Anodyne	
CC1CCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc(F)cc3)n2)CC1	ZINC000082139332	HJ	Annotated	Anodyne	
C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccc(F)cc2)C[C@H]2C[C@@H]1C2(C)C	ZINC000082139349	HJ	Annotated	Anodyne	
Cc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3ccc(F)cc3)n2)cc1	ZINC000082139457	HJ	Annotated	Anodyne	
CCN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(F)cc2)n1	ZINC000082139531	HJ	Annotated	Anodyne	
C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@@H]1C2(C)C	ZINC000082139635	HJ	Annotated	Anodyne	
CC1CCN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(F)cc3)n2)CC1	ZINC000082139891	HJ	Annotated	Anodyne	
Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccc(F)cc3)n2)o1	ZINC000082140440	HJ	Annotated	Anodyne	
Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccc(F)cc3)n2)o1	ZINC000082140443	HJ	Annotated	Anodyne	
Cc1ccc(CNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc(F)cc3)n2)o1	ZINC000082140446	HJ	Annotated	Anodyne	
Cc1ccc(CNc2ncc(C(=O)N3CCC(C)CC3)c(-c3ccc(F)cc3)n2)o1	ZINC000082140518	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc(F)cc2)C1	ZINC000082140802	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc(F)cc2)C1	ZINC000082140803	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc(F)cc2)C1	ZINC000082140806	HJ	Annotated	Anodyne	
CC1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccc(F)cc3)n2)CC1	ZINC000082140808	HJ	Annotated	Anodyne	
CC1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccc(F)cc3)n2)CC1	ZINC000082140811	HJ	Annotated	Anodyne	
CC1CCN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc(F)cc3)n2)CC1	ZINC000082140813	HJ	Annotated	Anodyne	
CC[C@@H](C)NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(F)cc1	ZINC000082140920	HJ	Annotated	Anodyne	
CC[C@H](C)NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(F)cc1	ZINC000082140923	HJ	Annotated	Anodyne	
CCN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(F)cc1	ZINC000082141364	HJ	Annotated	Anodyne	
C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccco2)C[C@H]2C[C@@H]1C2(C)C	ZINC000082142004	HJ	Annotated	Anodyne	
CC1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccco3)n2)CC1	ZINC000082142017	HJ	Annotated	Anodyne	
CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccco2)n1	ZINC000082142021	HJ	Annotated	Anodyne	
CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccco2)n1	ZINC000082142024	HJ	Annotated	Anodyne	
CN(C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccco1)C1CCCCC1	ZINC000082142456	HJ	Annotated	Anodyne	
CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccco1	ZINC000082142497	HJ	Annotated	Anodyne	
CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccco1	ZINC000082142511	HJ	Annotated	Anodyne	
CC(C)CN(C)c1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccco2)n1	ZINC000082142852	HJ	Annotated	Anodyne	
CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccco1	ZINC000082143070	HJ	Annotated	Anodyne	
CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccco1	ZINC000082143072	HJ	Annotated	Anodyne	
CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccco1	ZINC000082143074	HJ	Annotated	Anodyne	
CCN(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccco1	ZINC000082143128	HJ	Annotated	Anodyne	
CCN(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccco1	ZINC000082143130	HJ	Annotated	Anodyne	
CCN(Cc1ccccc1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccco1	ZINC000082143132	HJ	Annotated	Anodyne	
CCN(Cc1ccccc1)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccco1	ZINC000082143135	HJ	Annotated	Anodyne	
Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1	ZINC000082145284	HJ	Annotated	Anodyne	
Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1	ZINC000082145286	HJ	Annotated	Anodyne	
Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)NCc2ccccc2)c1	ZINC000082146578	HJ	Annotated	Anodyne	
Cc1cccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2C(=O)NCc2ccccc2)c1	ZINC000082146582	HJ	Annotated	Anodyne	
Cc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2C(=O)NCc2ccccc2)c1	ZINC000082146585	HJ	Annotated	Anodyne	
Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)N2CCC(C)CC2)c1	ZINC000082146622	HJ	Annotated	Anodyne	
Cc1cccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2C(=O)N2CCC(C)CC2)c1	ZINC000082146625	HJ	Annotated	Anodyne	
Cc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2C(=O)N2CCC(C)CC2)c1	ZINC000082146627	HJ	Annotated	Anodyne	
C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000082147629	HJ	Annotated	Bother	
C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000082147632	HJ	Annotated	Bother	
C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000082147638	HJ	Annotated	Bother	
C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000082147639	HJ	Annotated	Bother	
CC(C)CN(C)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000082147808	HJ	Annotated	Bother	
CC[C@@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000082148309	HJ	Annotated	Bother	
CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000082148312	HJ	Annotated	Bother	
CC[C@@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000082148314	HJ	Annotated	Bother	
CC[C@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000082148317	HJ	Annotated	Bother	
CC[C@@H](C)Nc1ncc(C(=O)NCC2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000082148361	HJ	Annotated	Bother	
CC[C@H](C)Nc1ncc(C(=O)NCC2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000082148363	HJ	Annotated	Bother	
CN(C(=O)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1	ZINC000082148647	HJ	Annotated	Bother	
C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1	ZINC000082149399	HJ	Annotated	Bother	
C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1	ZINC000082149404	HJ	Annotated	Bother	
C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1	ZINC000082149407	HJ	Annotated	Bother	
CC1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccccc3F)n2)CC1	ZINC000082151040	HJ	Annotated	Anodyne	
CC1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccccc3F)n2)CC1	ZINC000082151043	HJ	Annotated	Anodyne	
CC1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccccc3F)n2)CC1	ZINC000082151046	HJ	Annotated	Anodyne	
CC1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccccc3F)n2)CC1	ZINC000082151051	HJ	Annotated	Anodyne	
CN(Cc1cn([C@@H]2CCCC[C@@H]2OC(=O)c2ccccc2)nn1)CC1CCCCC1	ZINC000082151185	HJ	Annotated	Anodyne	
CN(Cc1cn([C@H]2CCCC[C@@H]2OC(=O)c2ccccc2)nn1)CC1CCCCC1	ZINC000082151187	HJ	Annotated	Anodyne	
C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C	ZINC000082151368	HJ	Annotated	Anodyne	
C[C@@H]1[C@@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C	ZINC000082151372	HJ	Annotated	Anodyne	
CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCC2)nc1-c1ccccc1F	ZINC000082151605	HJ	Annotated	Anodyne	
CC1CCN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccccc3F)n2)CC1	ZINC000082151663	HJ	Annotated	Anodyne	
Cc1ccc(CNc2ncc(C(=O)N3CCC(C)CC3)c(-c3ccccc3F)n2)o1	ZINC000082151946	HJ	Annotated	Anodyne	
CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CC)nc1-c1ccccc1F	ZINC000082152061	HJ	Annotated	Anodyne	
Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccccc3F)n2)o1	ZINC000082152146	HJ	Annotated	Anodyne	
Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccccc3F)n2)o1	ZINC000082152147	HJ	Annotated	Anodyne	
Cc1ccc(CNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccccc3F)n2)o1	ZINC000082152148	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccccc2F)C1	ZINC000082152362	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccccc2F)C1	ZINC000082152366	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccccc2F)C1	ZINC000082152368	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccccc3F)n2)C1	ZINC000082152379	HJ	Annotated	Anodyne	
C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccccc3F)n2)C1	ZINC000082152382	HJ	Annotated	Anodyne	
C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccccc3F)n2)C1	ZINC000082152386	HJ	Annotated	Anodyne	
CC(C)(CNC(=O)c1ccc2ccccc2c1)CC1=C(O)C(=O)c2ccccc2C1=O	ZINC000082152865	HJ	Annotated	Mild	
CC1(C)Oc2cc3c(cc2O1)[C@@H]1c2cccc(OCc4ccccc4)c2OC[C@]1(O)C3	ZINC000082154052	HJ	Annotated	Anodyne	
C/C=C\c1ccc(O[C@H](C)[C@H](OC(C)=O)c2ccc(OC)c(OC)c2)c(OC)c1	ZINC000082154465	HJ	Annotated	Anodyne	
CC(C)Oc1ccc2c(=O)cc([C@@H](C)Br)oc2c1CBr	ZINC000082155738	HJ	Annotated	Reactive	
CC(C)Oc1ccc2c(=O)cc([C@H](C)Br)oc2c1CBr	ZINC000082155741	HJ	Annotated	Reactive	
COc1cc(OC)cc(-c2cccc(Cc3cn(Cc4ccc(F)cc4)c(N)n3)c2)c1	ZINC000082157600	HJ	Annotated	Anodyne	
Cc1ccc(OCCOc2ccc(Br)cc2C(F)(F)F)c([N+](=O)[O-])n1	ZINC000082157931	HJ	Annotated	Bother	
O=C([C@@H]1CNC[C@H]1c1ccccc1Br)N1CCCC[C@H]1c1ccccc1	ZINC000082158071	HJ	Annotated	Anodyne	
O=C([C@@H]1CNC[C@H]1c1ccccc1Br)N1CCCC[C@@H]1c1ccccc1	ZINC000082158072	HJ	Annotated	Anodyne	
Nc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)nc(N)n2)cc1	ZINC000082158133	HJ	Annotated	Anodyne	
CC1(C)C=Cc2nc(CN(c3ccccc3)S(=O)(=O)C3CCCCC3)ccc2O1	ZINC000082158435	HJ	Annotated	Anodyne	
O=C1C2=C(C(c3ccccc3)=NCCN2)[C@H](c2ccccc2Cl)N1c1ccccc1	ZINC000082158505	HJ	Annotated	Anodyne	 
O=C1C2=C(C(c3ccccc3)=NCCN2)[C@@H](c2ccccc2Cl)N1c1ccccc1	ZINC000082158506	HJ	Annotated	Anodyne	 
CC[C@H](C)Nc1ncc(C(=O)N2C[C@H](CC)CC[C@@H]2C)c(-c2ccc(C#N)cc2)n1	ZINC000082158587	HJ	Annotated	Mild	
CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H](C)CC)nc2-c2ccc(C#N)cc2)C1	ZINC000082158588	HJ	Annotated	Mild	
CC[C@H](C)Nc1ncc(C(=O)N2C[C@H](CC)CC[C@H]2C)c(-c2ccc(C#N)cc2)n1	ZINC000082158589	HJ	Annotated	Mild	
CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@@H](C)CC)nc2-c2ccc(C#N)cc2)C1	ZINC000082158590	HJ	Annotated	Mild	
CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc(C#N)cc2)C1	ZINC000082158621	HJ	Annotated	Mild	
CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc(C#N)cc2)C1	ZINC000082158622	HJ	Annotated	Mild	
CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc(C#N)cc2)C1	ZINC000082158623	HJ	Annotated	Mild	
CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc(C#N)cc2)C1	ZINC000082158624	HJ	Annotated	Mild	
CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(C#N)cc1	ZINC000082158982	HJ	Annotated	Mild	
CC1CCN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(C#N)cc3)n2)CC1	ZINC000082159464	HJ	Annotated	Mild	
CC(C)CN(C)c1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc(C#N)cc2)n1	ZINC000082159475	HJ	Annotated	Mild	
CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccc(C#N)cc2)C1	ZINC000082159531	HJ	Annotated	Mild	
CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccc(C#N)cc2)C1	ZINC000082159532	HJ	Annotated	Mild	
CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccc(C#N)cc2)C1	ZINC000082159533	HJ	Annotated	Mild	
CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccc(C#N)cc2)C1	ZINC000082159534	HJ	Annotated	Mild	
CC[C@@H](C)Nc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc(C#N)cc2)n1	ZINC000082159569	HJ	Annotated	Mild	
CC[C@H](C)Nc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc(C#N)cc2)n1	ZINC000082159570	HJ	Annotated	Mild	
CCN(C)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1	ZINC000082159662	HJ	Annotated	Mild	
CCN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1	ZINC000082159663	HJ	Annotated	Mild	
CCN(C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1	ZINC000082159708	HJ	Annotated	Anodyne	
CCN(C)c1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccc(C#N)cc2)n1	ZINC000082159846	HJ	Annotated	Mild	
C[C@H]1[C@@H](NC(=O)c2cnc(NCC3CC3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C	ZINC000082159854	HJ	Annotated	Anodyne	
C[C@@H]1[C@@H](NC(=O)c2cnc(NCC3CC3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C	ZINC000082159855	HJ	Annotated	Anodyne	
Cc1cccc(-c2nc(N(C)CC(C)C)ncc2C(=O)NCCc2cccc(F)c2)c1	ZINC000082160088	HJ	Annotated	Anodyne	
COc1ccc(-c2cc(NCc3cccc4ccccc34)ncn2)c(OC)c1OC	ZINC000082160374	HJ	Annotated	Anodyne	
COc1ccc(OC)c(-c2cc(NCc3ccc(F)cc3C(F)(F)F)ncn2)c1	ZINC000082160999	HJ	Annotated	Anodyne	
Cc1ccc(-c2cc(NCc3ccc(OC(F)(F)F)cc3)ncn2)cc1[N+](=O)[O-]	ZINC000082161748	HJ	Annotated	Bother	
Cc1oc(-c2cnc(N3CCC(O)CC3)nc2-c2ccccc2)nc1-c1ccccc1	ZINC000082163032	HJ	Annotated	Anodyne	
COc1cccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccccc3)n2)c1OC	ZINC000082163083	HJ	Annotated	Anodyne	
COc1ccc(OC)c(CCNc2ncc(-c3ncc(C)o3)c(-c3ccccc3)n2)c1	ZINC000082163107	HJ	Annotated	Anodyne	
COc1cc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccccc3)n2)cc(OC)c1	ZINC000082163125	HJ	Annotated	Anodyne	
CCCOCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000082163418	HJ	Annotated	Bother	
Cc1cnc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2cccc([N+](=O)[O-])c2)o1	ZINC000082163426	HJ	Annotated	Bother	
Cc1ccc(CNc2ncc(-c3nc(C)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)o1	ZINC000082163446	HJ	Annotated	Bother	
COCCCNc1ncc(-c2nc3ccccc3s2)c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000082163457	HJ	Annotated	Bother	
O=[N+]([O-])c1cccc(-c2nc(N3CCCC3)ncc2-c2nc3ccccc3s2)c1	ZINC000082163583	HJ	Annotated	Bother	
Cc1cnc(-c2cnc(NCCOc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)o1	ZINC000082163592	HJ	Annotated	Bother	
Cc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)oc1C	ZINC000082163677	HJ	Annotated	Bother	
Cc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)oc1C	ZINC000082163678	HJ	Annotated	Bother	
Cc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)oc1C	ZINC000082163679	HJ	Annotated	Bother	
CCc1cnc(-c2cnc(N3CCC(C)CC3)nc2-c2cccc([N+](=O)[O-])c2)s1	ZINC000082163715	HJ	Annotated	Bother	
Cc1cnc(-c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)o1	ZINC000082163769	HJ	Annotated	Bother	
Cc1nc(-c2cnc(NCc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C	ZINC000082163811	HJ	Annotated	Bother	
Cc1ccc(CNc2ncc(-c3ncc(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000082163853	HJ	Annotated	Bother	
Cc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000082163949	HJ	Annotated	Bother	
CCCCCc1nc(-c2cnc(N3CCOCC3)nc2-c2ccc(F)cc2)oc1C	ZINC000082164511	HJ	Annotated	Anodyne	
CCCCCc1nc(-c2cnc(N3CCC(O)CC3)nc2-c2ccc(F)cc2)oc1C	ZINC000082164642	HJ	Annotated	Anodyne	
OC1CCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)CC1	ZINC000082164645	HJ	Annotated	Anodyne	
COCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc(F)cc2)n1	ZINC000082165018	HJ	Annotated	Anodyne	
COc1ccccc1CCNc1ncc(-c2ncc(C)o2)c(-c2ccc(F)cc2)n1	ZINC000082165052	HJ	Annotated	Anodyne	
COc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccc(F)cc3)n2)cc1	ZINC000082165108	HJ	Annotated	Anodyne	
COCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccco2)n1	ZINC000082165365	HJ	Annotated	Anodyne	
COc1cccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccco3)n2)c1OC	ZINC000082165929	HJ	Annotated	Anodyne	
COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccco3)n2)c1	ZINC000082165949	HJ	Annotated	Anodyne	
COc1cc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccco3)n2)cc(OC)c1	ZINC000082165968	HJ	Annotated	Anodyne	
COCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccco2)n1	ZINC000082166305	HJ	Annotated	Anodyne	
CCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1	ZINC000082166487	HJ	Annotated	Anodyne	
COc1cc(-c2nc(NC3CCCC3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC	ZINC000082166563	HJ	Annotated	Anodyne	
COc1cc(-c2nc(NC3CCCCC3)ncc2-c2ncc(C)o2)cc(OC)c1OC	ZINC000082166645	HJ	Annotated	Anodyne	
CC[C@@H](C)Nc1ncc(-c2nc(C)c(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1	ZINC000082167251	HJ	Annotated	Anodyne	
CC[C@H](C)Nc1ncc(-c2nc(C)c(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1	ZINC000082167252	HJ	Annotated	Anodyne	
C=CCN1C(=O)c2ccccc2Sc2ccc(/C(O)=N/Cc3cccnc3)cc21	ZINC000082170175	HJ	Annotated	Mild	 
Cc1cccc(-c2nc(N3CCOCC3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1	ZINC000082173277	HJ	Annotated	Anodyne	
CCCCCc1nc(-c2cnc(N3CCOCC3)nc2-c2cccc(C)c2)oc1C	ZINC000082173285	HJ	Annotated	Anodyne	
Cc1cccc(-c2nc(N3CCC(O)CC3)ncc2-c2nc3ccccc3s2)c1	ZINC000082173457	HJ	Annotated	Anodyne	
CCCCCc1nc(-c2cnc(NCCNC(C)=O)nc2-c2cccc(C)c2)oc1C	ZINC000082173861	HJ	Annotated	Anodyne	
CCCOCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000082174056	HJ	Annotated	Bother	
Cc1cnc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccc([N+](=O)[O-])cc2)o1	ZINC000082174075	HJ	Annotated	Bother	
Cc1ccc(CNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1	ZINC000082174112	HJ	Annotated	Bother	
COCCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000082174138	HJ	Annotated	Bother	
O=[N+]([O-])c1ccc(-c2nc(N3CCCC3)ncc2-c2nc3ccccc3s2)cc1	ZINC000082174408	HJ	Annotated	Bother	
Cc1cnc(-c2cnc(NCCOc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)o1	ZINC000082174422	HJ	Annotated	Bother	
Cc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C	ZINC000082174600	HJ	Annotated	Bother	
Cc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C	ZINC000082174601	HJ	Annotated	Bother	
Cc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C	ZINC000082174603	HJ	Annotated	Bother	
Cc1cnc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)o1	ZINC000082174650	HJ	Annotated	Bother	
Cc1ccc(CNc2ncc(-c3ncc(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000082174810	HJ	Annotated	Bother	
Cc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000082174893	HJ	Annotated	Bother	
Cc1oc(-c2cnc(N3CCOCC3)nc2-c2ccccc2F)nc1-c1ccccc1	ZINC000082175646	HJ	Annotated	Anodyne	
CCCCCc1nc(-c2cnc(N3CCOCC3)nc2-c2ccccc2F)oc1C	ZINC000082175653	HJ	Annotated	Anodyne	
OC1CCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccccc3F)n2)CC1	ZINC000082175802	HJ	Annotated	Anodyne	
COCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2F)n1	ZINC000082176098	HJ	Annotated	Anodyne	
COc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccccc3F)n2)cc1	ZINC000082176155	HJ	Annotated	Anodyne	
Cc1ccccc1-c1nc(N2CCOCC2)ncc1-c1nc(-c2ccccc2)c(C)o1	ZINC000082177412	HJ	Annotated	Anodyne	
CCCCCc1nc(-c2cnc(N3CCOCC3)nc2-c2ccccc2C)oc1C	ZINC000082177415	HJ	Annotated	Anodyne	
Cc1ccccc1-c1nc(N2CCC(O)CC2)ncc1-c1nc2ccccc2s1	ZINC000082177492	HJ	Annotated	Anodyne	
CC1(C)C[C@H](NCCc2ccccc2F)c2cc(C(=O)N3CCCCC3)ccc2O1	ZINC000082177655	HJ	Annotated	Anodyne	
CC1(C)C[C@@H](NCCc2ccccc2F)c2cc(C(=O)N3CCCCC3)ccc2O1	ZINC000082177657	HJ	Annotated	Anodyne	
CCCCCc1nc(-c2cnc(NCCNC(C)=O)nc2-c2ccccc2C)oc1C	ZINC000082177675	HJ	Annotated	Anodyne	
CC(C)CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCN1CCCCC1	ZINC000082177855	HJ	Annotated	Anodyne	
CC(C)CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCc1ccccn1	ZINC000082177859	HJ	Annotated	Anodyne	
CC(C)CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CC[C@@H]1CCCN1C	ZINC000082177862	HJ	Annotated	Anodyne	
CC(C)CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CC[C@H]1CCCN1C	ZINC000082177863	HJ	Annotated	Anodyne	
CC(C)(C)Cc1nc2c(NCc3cccs3)ncnc2n1CCN1CCCCC1	ZINC000082177889	HJ	Annotated	Anodyne	
CC(C)CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCN1CCCCC1	ZINC000082178080	HJ	Annotated	Anodyne	
CC(C)CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCN1CCCCC1	ZINC000082178081	HJ	Annotated	Anodyne	
CC(C)CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCc1ccccn1	ZINC000082178088	HJ	Annotated	Anodyne	
CC(C)CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCc1ccccn1	ZINC000082178094	HJ	Annotated	Anodyne	
CC(C)CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CC[C@@H]1CCCN1C	ZINC000082178101	HJ	Annotated	Anodyne	
CC(C)CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CC[C@@H]1CCCN1C	ZINC000082178103	HJ	Annotated	Anodyne	
CC(C)CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CC[C@H]1CCCN1C	ZINC000082178105	HJ	Annotated	Anodyne	
CC(C)CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CC[C@H]1CCCN1C	ZINC000082178107	HJ	Annotated	Anodyne	
c1ccc(CNc2ncnc3c2nc(-c2ccccc2)n3CCc2ccccn2)cc1	ZINC000082178208	HJ	Annotated	Anodyne	
CC[C@@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCc3ccccc3)ncnc21	ZINC000082178254	HJ	Annotated	Anodyne	
CC[C@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCc3ccccc3)ncnc21	ZINC000082178256	HJ	Annotated	Anodyne	
c1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3CCN2CCCCC2)cc1	ZINC000082178424	HJ	Annotated	Anodyne	
c1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3CCc2ccccn2)cc1	ZINC000082178429	HJ	Annotated	Anodyne	
CN1CCC[C@@H]1CCn1c(-c2ccsc2)nc2c(NCc3ccccc3)ncnc21	ZINC000082178434	HJ	Annotated	Anodyne	
CN1CCC[C@H]1CCn1c(-c2ccsc2)nc2c(NCc3ccccc3)ncnc21	ZINC000082178435	HJ	Annotated	Anodyne	
c1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3CCN2CCCCC2)cc1	ZINC000082178445	HJ	Annotated	Anodyne	
c1ccc(CNc2ncnc3c2nc(-c2cccs2)n3CCN2CCCCC2)cc1	ZINC000082178521	HJ	Annotated	Anodyne	
c1ccc(CNc2ncnc3c2nc(-c2cccs2)n3CCc2ccccn2)cc1	ZINC000082178529	HJ	Annotated	Anodyne	
CN1CCC[C@@H]1CCn1c(-c2cccs2)nc2c(NCc3ccccc3)ncnc21	ZINC000082178535	HJ	Annotated	Anodyne	
CN1CCC[C@H]1CCn1c(-c2cccs2)nc2c(NCc3ccccc3)ncnc21	ZINC000082178537	HJ	Annotated	Anodyne	
CCC(CC)c1nc2c(NCc3ccccc3)ncnc2n1CCc1ccccn1	ZINC000082178679	HJ	Annotated	Anodyne	
CC(C)(C)Cc1nc2c(NCc3ccccc3)ncnc2n1CCc1ccccn1	ZINC000082178720	HJ	Annotated	Anodyne	
Cc1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3CCc2ccccn2)cc1	ZINC000082179210	HJ	Annotated	Anodyne	
Cc1ccc(CNc2ncnc3c2nc(-c2ccc(C)o2)n3CCc2ccccn2)cc1	ZINC000082179264	HJ	Annotated	Anodyne	
Cc1ccc(CNc2ncnc3c2nc(CC(C)C)n3CCc2ccccn2)cc1	ZINC000082179292	HJ	Annotated	Anodyne	
Cc1ccc(CNc2ncnc3c2nc(CC(C)(C)C)n3CCN2CCCCC2)cc1	ZINC000082179404	HJ	Annotated	Anodyne	
Cc1ccc(CNc2ncnc3c2nc(CC(C)(C)C)n3CCc2ccccn2)cc1	ZINC000082179408	HJ	Annotated	Anodyne	
Cc1ccc(CNc2ncnc3c2nc(CC(C)(C)C)n3CC[C@@H]2CCCN2C)cc1	ZINC000082179411	HJ	Annotated	Anodyne	
Cc1ccc(CNc2ncnc3c2nc(CC(C)(C)C)n3CC[C@H]2CCCN2C)cc1	ZINC000082179412	HJ	Annotated	Anodyne	
CCCCCn1c(-c2cccnc2)nc2c(NCCc3cccc(F)c3)ncnc21	ZINC000082179542	HJ	Annotated	Anodyne	
CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NCCc3cccc(F)c3)ncnc21	ZINC000082179546	HJ	Annotated	Anodyne	
CC[C@H](C)Cn1c(-c2cccnc2)nc2c(NCCc3cccc(F)c3)ncnc21	ZINC000082179547	HJ	Annotated	Anodyne	
Fc1cccc(CCNc2ncnc3c2nc(-c2ccsc2)n3C[C@@H]2CCCO2)c1	ZINC000082179567	HJ	Annotated	Anodyne	
Fc1cccc(CCNc2ncnc3c2nc(-c2ccsc2)n3C[C@H]2CCCO2)c1	ZINC000082179568	HJ	Annotated	Anodyne	
Fc1cccc(CCNc2ncnc3c2nc(C2CCCCC2)n3C[C@@H]2CCCO2)c1	ZINC000082179584	HJ	Annotated	Anodyne	
Fc1cccc(CCNc2ncnc3c2nc(C2CCCCC2)n3C[C@H]2CCCO2)c1	ZINC000082179585	HJ	Annotated	Anodyne	
Fc1cccc(CCNc2ncnc3c2nc(-c2cccs2)n3C[C@@H]2CCCO2)c1	ZINC000082179624	HJ	Annotated	Anodyne	
Fc1cccc(CCNc2ncnc3c2nc(-c2cccs2)n3C[C@H]2CCCO2)c1	ZINC000082179625	HJ	Annotated	Anodyne	
CCC(CC)c1nc2c(NCCc3cccc(F)c3)ncnc2n1C[C@@H]1CCCO1	ZINC000082179716	HJ	Annotated	Anodyne	
CCC(CC)c1nc2c(NCCc3cccc(F)c3)ncnc2n1C[C@H]1CCCO1	ZINC000082179717	HJ	Annotated	Anodyne	
COCCn1c(-c2ccc(Cl)cc2)nc2c(NCCCc3ccccc3)ncnc21	ZINC000082179817	HJ	Annotated	Anodyne	
CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NCCCc3ccccc3)ncnc21	ZINC000082179883	HJ	Annotated	Anodyne	
CC[C@H](C)Cn1c(-c2cccnc2)nc2c(NCCCc3ccccc3)ncnc21	ZINC000082179884	HJ	Annotated	Anodyne	
c1ccc(CCCNc2ncnc3c2nc(-c2ccoc2)n3CCc2ccccn2)cc1	ZINC000082179897	HJ	Annotated	Anodyne	
CC(C)Cc1nc2c(NCCCc3ccccc3)ncnc2n1CCc1ccccn1	ZINC000082179976	HJ	Annotated	Anodyne	
CC(C)Cc1nc2c(NCCCc3ccccc3)ncnc2n1CC[C@@H]1CCCN1C	ZINC000082179979	HJ	Annotated	Anodyne	
CC(C)Cc1nc2c(NCCCc3ccccc3)ncnc2n1CC[C@H]1CCCN1C	ZINC000082179980	HJ	Annotated	Anodyne	
CC(C)c1nc2c(NCCCc3ccccc3)ncnc2n1CCc1ccccn1	ZINC000082180032	HJ	Annotated	Anodyne	
Cc1ccccc1CNc1ncnc2c1nc(-c1ccoc1)n2CCc1ccccn1	ZINC000082180241	HJ	Annotated	Anodyne	
Cc1ccc(-c2nc3c(NCc4ccccc4C)ncnc3n2CCc2ccccn2)o1	ZINC000082180307	HJ	Annotated	Anodyne	
Cc1ccccc1CNc1ncnc2c1nc(CC(C)C)n2CCc1ccccn1	ZINC000082180343	HJ	Annotated	Anodyne	
COCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3ccccc3C)ncnc21	ZINC000082180398	HJ	Annotated	Anodyne	
COCCn1c(C[C@H](C)c2ccccc2)nc2c(NCc3ccccc3C)ncnc21	ZINC000082180400	HJ	Annotated	Anodyne	
Cc1ccccc1CNc1ncnc2c1nc(CC(C)(C)C)n2CCN1CCCCC1	ZINC000082180545	HJ	Annotated	Anodyne	
Cc1ccccc1CNc1ncnc2c1nc(CC(C)(C)C)n2CCc1ccccn1	ZINC000082180552	HJ	Annotated	Anodyne	
COCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCC3CC3)ncnc21	ZINC000082180673	HJ	Annotated	Anodyne	
CCCCCn1c(-c2cccnc2)nc2c(NCCc3ccccc3F)ncnc21	ZINC000082180719	HJ	Annotated	Anodyne	
CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NCCc3ccccc3F)ncnc21	ZINC000082180726	HJ	Annotated	Anodyne	
CC[C@H](C)Cn1c(-c2cccnc2)nc2c(NCCc3ccccc3F)ncnc21	ZINC000082180727	HJ	Annotated	Anodyne	
Fc1ccccc1CCNc1ncnc2c1nc(-c1cccs1)n2C[C@@H]1CCCO1	ZINC000082180852	HJ	Annotated	Anodyne	
Fc1ccccc1CCNc1ncnc2c1nc(-c1cccs1)n2C[C@H]1CCCO1	ZINC000082180855	HJ	Annotated	Anodyne	
CN(C)C(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCCCC1)O2	ZINC000082181896	HJ	Annotated	Anodyne	
CN(C)C(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2	ZINC000082181897	HJ	Annotated	Anodyne	
Clc1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3C[C@@H]2CCCO2)cc1	ZINC000082184894	HJ	Annotated	Anodyne	
Clc1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3C[C@H]2CCCO2)cc1	ZINC000082184895	HJ	Annotated	Anodyne	
COCCn1c(CCc2ccccc2)nc2c(NCc3ccc(Cl)cc3)ncnc21	ZINC000082185122	HJ	Annotated	Anodyne	
CCCc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CC[C@@H]1CCCN1C	ZINC000082185232	HJ	Annotated	Anodyne	
CCCc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CC[C@H]1CCCN1C	ZINC000082185235	HJ	Annotated	Anodyne	
Clc1ccc(CNc2ncnc3c2nc(C2CC2)n3CCc2ccccn2)cc1	ZINC000082185297	HJ	Annotated	Anodyne	
CC[C@@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCc3ccc(F)cc3)ncnc21	ZINC000082185485	HJ	Annotated	Anodyne	
CC[C@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCc3ccc(F)cc3)ncnc21	ZINC000082185487	HJ	Annotated	Anodyne	
Fc1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3C[C@@H]2CCCO2)cc1	ZINC000082185694	HJ	Annotated	Anodyne	
Fc1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3C[C@H]2CCCO2)cc1	ZINC000082185696	HJ	Annotated	Anodyne	
CCC(CC)c1nc2c(NCc3ccc(F)cc3)ncnc2n1CCN1CCCCC1	ZINC000082185998	HJ	Annotated	Anodyne	
CCC(CC)c1nc2c(NCc3ccc(F)cc3)ncnc2n1CC[C@@H]1CCCN1C	ZINC000082186017	HJ	Annotated	Anodyne	
CCC(CC)c1nc2c(NCc3ccc(F)cc3)ncnc2n1CC[C@H]1CCCN1C	ZINC000082186020	HJ	Annotated	Anodyne	
CC(C)(C)Cc1nc2c(NCc3ccc(F)cc3)ncnc2n1CCN1CCCCC1	ZINC000082186074	HJ	Annotated	Anodyne	
CN1CCC[C@H]1CCn1c(CC(C)(C)C)nc2c(NCc3ccc(F)cc3)ncnc21	ZINC000082186100	HJ	Annotated	Anodyne	
CN1CCC[C@@H]1CCn1c(CC(C)(C)C)nc2c(NCc3ccc(F)cc3)ncnc21	ZINC000082186101	HJ	Annotated	Anodyne	
CCCCCNc1ncnc2c1nc(-c1ccc(OC)cc1)n2CCc1ccccn1	ZINC000082186160	HJ	Annotated	Anodyne	
CCCCCNc1ncnc2c1nc(-c1ccc(OC)cc1)n2CC[C@@H]1CCCN1C	ZINC000082186163	HJ	Annotated	Anodyne	
CCCCCNc1ncnc2c1nc(-c1ccc(OC)cc1)n2CC[C@H]1CCCN1C	ZINC000082186164	HJ	Annotated	Anodyne	
CCCCCNc1ncnc2c1nc(-c1ccc(C(=O)OC)cc1)n2C[C@@H](C)CC	ZINC000082186353	HJ	Annotated	Anodyne	
CCCCCNc1ncnc2c1nc(-c1ccc(C(=O)OC)cc1)n2C[C@H](C)CC	ZINC000082186356	HJ	Annotated	Anodyne	
CCCCCNc1ncnc2c1nc(CCc1ccccc1)n2CC[C@@H]1CCCN1C	ZINC000082186682	HJ	Annotated	Anodyne	
CCCCCNc1ncnc2c1nc(CCc1ccccc1)n2CC[C@H]1CCCN1C	ZINC000082186686	HJ	Annotated	Anodyne	
CCCCCn1c(-c2cccnc2)nc2c(NCCc3ccc(F)cc3)ncnc21	ZINC000082187234	HJ	Annotated	Anodyne	
CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NCCc3ccc(F)cc3)ncnc21	ZINC000082187242	HJ	Annotated	Anodyne	
CC[C@H](C)Cn1c(-c2cccnc2)nc2c(NCCc3ccc(F)cc3)ncnc21	ZINC000082187244	HJ	Annotated	Anodyne	
Fc1ccc(CCNc2ncnc3c2nc(-c2ccsc2)n3C[C@@H]2CCCO2)cc1	ZINC000082187258	HJ	Annotated	Anodyne	
Fc1ccc(CCNc2ncnc3c2nc(-c2ccsc2)n3C[C@H]2CCCO2)cc1	ZINC000082187260	HJ	Annotated	Anodyne	
Fc1ccc(CCNc2ncnc3c2nc(C2CCCCC2)n3C[C@@H]2CCCO2)cc1	ZINC000082187285	HJ	Annotated	Anodyne	
Fc1ccc(CCNc2ncnc3c2nc(C2CCCCC2)n3C[C@H]2CCCO2)cc1	ZINC000082187288	HJ	Annotated	Anodyne	
Fc1ccc(CCNc2ncnc3c2nc(-c2cccs2)n3C[C@@H]2CCCO2)cc1	ZINC000082187373	HJ	Annotated	Anodyne	
Fc1ccc(CCNc2ncnc3c2nc(-c2cccs2)n3C[C@H]2CCCO2)cc1	ZINC000082187375	HJ	Annotated	Anodyne	
CCC(CC)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1C[C@@H]1CCCO1	ZINC000082187586	HJ	Annotated	Anodyne	
CCC(CC)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1C[C@H]1CCCO1	ZINC000082187587	HJ	Annotated	Anodyne	
C[C@@H](CNc1ncnc2c1nc(-c1ccoc1)n2CCc1ccccn1)c1ccccc1	ZINC000082188173	HJ	Annotated	Anodyne	
C[C@H](CNc1ncnc2c1nc(-c1ccoc1)n2CCc1ccccn1)c1ccccc1	ZINC000082188176	HJ	Annotated	Anodyne	
CC(C)Cc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCN1CCCCC1	ZINC000082188490	HJ	Annotated	Anodyne	
CC(C)Cc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCN1CCCCC1	ZINC000082188492	HJ	Annotated	Anodyne	
CC(C)Cc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCc1ccccn1	ZINC000082188507	HJ	Annotated	Anodyne	
CC(C)Cc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCc1ccccn1	ZINC000082188510	HJ	Annotated	Anodyne	
CC(C)Cc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CC[C@@H]1CCCN1C	ZINC000082188522	HJ	Annotated	Anodyne	
CC(C)Cc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CC[C@H]1CCCN1C	ZINC000082188524	HJ	Annotated	Anodyne	
CC(C)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCc1ccccn1	ZINC000082188696	HJ	Annotated	Anodyne	
CC(C)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCc1ccccn1	ZINC000082188698	HJ	Annotated	Anodyne	
CC(C)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CC[C@@H]1CCCN1C	ZINC000082188708	HJ	Annotated	Anodyne	
CC(C)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CC[C@H]1CCCN1C	ZINC000082188710	HJ	Annotated	Anodyne	
CCCc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCc1ccccn1	ZINC000082188744	HJ	Annotated	Anodyne	
CCCc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCc1ccccn1	ZINC000082188747	HJ	Annotated	Anodyne	
COCCn1c(C(C)C)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21	ZINC000082189356	HJ	Annotated	Anodyne	
COCCn1c(CC(C)C)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21	ZINC000082189764	HJ	Annotated	Anodyne	
c1cncc(-c2nc3c(NC4CCCCCC4)ncnc3n2CCN2CCCCC2)c1	ZINC000082189779	HJ	Annotated	Anodyne	
COCCn1c(C(C)C)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21	ZINC000082189838	HJ	Annotated	Anodyne	
c1csc(CNc2ncnc3c2nc(-c2ccsc2)n3CCN2CCCCC2)c1	ZINC000082190321	HJ	Annotated	Anodyne	
c1ccc(CCn2c(-c3cccs3)nc3c(NCc4cccs4)ncnc32)nc1	ZINC000082190531	HJ	Annotated	Anodyne	
c1ccc(CCn2c(-c3cccnc3)nc3c(NC4CCCCCC4)ncnc32)nc1	ZINC000082190600	HJ	Annotated	Anodyne	
c1ccc(CCn2c(-c3ccoc3)nc3c(NC4CCCCCC4)ncnc32)nc1	ZINC000082190639	HJ	Annotated	Anodyne	
CCCCc1ccc(-c2csc(N[C@H](C(=O)NCCOC)[C@@H](C)CC)n2)cc1	ZINC000082192468	HJ	Annotated	Anodyne	
CCCC[C@@H](CC)CNC(=O)CNc1nc(-c2cccc(NC(C)=O)c2)cs1	ZINC000082193772	HJ	Annotated	Anodyne	
CCCC[C@H](CC)CNC(=O)CNc1nc(-c2cccc(NC(C)=O)c2)cs1	ZINC000082193777	HJ	Annotated	Anodyne	
CCCC[C@H](Nc1nc(-c2cc3ccccc3o2)cs1)C(=O)NC[C@@H]1CCCO1	ZINC000082194647	HJ	Annotated	Anodyne	
CCCC[C@H](Nc1nc(-c2cc3ccccc3o2)cs1)C(=O)NC[C@H]1CCCO1	ZINC000082194648	HJ	Annotated	Anodyne	
CCCC[C@@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2ccc(C#N)cc2)cs1	ZINC000082194848	HJ	Annotated	Mild	
CCCC[C@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2ccc(C#N)cc2)cs1	ZINC000082194851	HJ	Annotated	Mild	
CCCC[C@@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2ccc(O)cc2)cs1	ZINC000082194854	HJ	Annotated	Anodyne	
CCCC[C@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2ccc(O)cc2)cs1	ZINC000082194857	HJ	Annotated	Anodyne	
CCCC[C@@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1	ZINC000082194859	HJ	Annotated	Anodyne	
CCCC[C@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1	ZINC000082194862	HJ	Annotated	Anodyne	
CCCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(F)cc2F)cs1	ZINC000082195354	HJ	Annotated	Anodyne	
CCCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccccc2OC)cs1	ZINC000082195360	HJ	Annotated	Anodyne	
O=C(NCc1ccc(F)cc1)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2F)cs1	ZINC000082195403	HJ	Annotated	Anodyne	
O=C(NCc1ccc(F)cc1)[C@@H]1CCCN1c1nc(-c2cc3ccccc3o2)cs1	ZINC000082195514	HJ	Annotated	Anodyne	
CCCC[C@H](Nc1nc(-c2ccccc2F)cs1)C(=O)NCCCOC(C)C	ZINC000082195625	HJ	Annotated	Anodyne	
CCOc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCC(C)C)n2)cc1	ZINC000082195817	HJ	Annotated	Anodyne	
CCCC[C@H](Nc1nc(-c2ccc(Cl)s2)cs1)C(=O)NC[C@@H]1CCCO1	ZINC000082195829	HJ	Annotated	Anodyne	
CCCC[C@H](Nc1nc(-c2ccc(Cl)s2)cs1)C(=O)NC[C@H]1CCCO1	ZINC000082195830	HJ	Annotated	Anodyne	
CC(C)OCCCNC(=O)CCCNc1nc(-c2ccc(Cl)s2)cs1	ZINC000082195938	HJ	Annotated	Anodyne	
O=C(CCCNc1nc(-c2ccc(Cl)s2)cs1)NCCOc1ccccc1	ZINC000082195943	HJ	Annotated	Anodyne	
O=C(NCc1ccc(F)cc1)[C@@H]1CCCN1c1nc(-c2ccc(Cl)s2)cs1	ZINC000082195947	HJ	Annotated	Anodyne	
CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(O)cc2)cs1	ZINC000082196531	HJ	Annotated	Anodyne	
CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(O)cc2)cs1	ZINC000082196534	HJ	Annotated	Anodyne	
CC(C)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCN1CCCCC1	ZINC000082196630	HJ	Annotated	Anodyne	
CC(C)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCN1CCCCC1	ZINC000082196632	HJ	Annotated	Anodyne	
c1ccc(CCn2c(-c3ccsc3)nc3c(NCc4cccs4)ncnc32)nc1	ZINC000082197500	HJ	Annotated	Anodyne	
CSCC[C@H](Nc1nc(-c2ccccc2F)cs1)C(=O)NC1CCCCC1	ZINC000082197827	HJ	Annotated	Anodyne	
COc1ccccc1-c1csc(N[C@@H](CCSC)C(=O)NC2CCCCC2)n1	ZINC000082197831	HJ	Annotated	Anodyne	
CCCC[C@@H](CC)CNC(=O)CNc1nc(-c2ccc(OC)cc2OC)cs1	ZINC000082197847	HJ	Annotated	Anodyne	
CCCC[C@H](CC)CNC(=O)CNc1nc(-c2ccc(OC)cc2OC)cs1	ZINC000082197848	HJ	Annotated	Anodyne	
CCCC[C@@H](CC)CNC(=O)CNc1nc(-c2cc(OC)ccc2OC)cs1	ZINC000082197849	HJ	Annotated	Anodyne	
CCCC[C@H](CC)CNC(=O)CNc1nc(-c2cc(OC)ccc2OC)cs1	ZINC000082197850	HJ	Annotated	Anodyne	
CCCC[C@@H](CC)CNC(=O)CNc1nc(-c2ccc(OC)c(OC)c2)cs1	ZINC000082197851	HJ	Annotated	Anodyne	
CCCC[C@H](CC)CNC(=O)CNc1nc(-c2ccc(OC)c(OC)c2)cs1	ZINC000082197852	HJ	Annotated	Anodyne	
CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(C#N)cc2)cs1	ZINC000082197859	HJ	Annotated	Mild	
CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(C#N)cc2)cs1	ZINC000082197860	HJ	Annotated	Mild	
CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1	ZINC000082197861	HJ	Annotated	Anodyne	
CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1	ZINC000082197862	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)/C=C/c1ccc(C(C)C)cc1	ZINC000082199011	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)/C=C/c1ccc(C(C)C)cc1	ZINC000082199012	HJ	Annotated	Anodyne	
CCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)/C=C/c1ccc(C(C)C)cc1	ZINC000082199013	HJ	Annotated	Anodyne	
CC1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc(F)cc2)CC1	ZINC000082216397	HJ	Annotated	Anodyne	
CC1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc(F)cc2)CC1	ZINC000082216400	HJ	Annotated	Anodyne	
CC1CCN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc(F)cc2)CC1	ZINC000082216402	HJ	Annotated	Anodyne	
CCN(C)c1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2cccc(C)c2)n1	ZINC000082216844	HJ	Annotated	Anodyne	
CC1CCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccccc3F)n2)CC1	ZINC000082217013	HJ	Annotated	Anodyne	
C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C	ZINC000082217133	HJ	Annotated	Anodyne	
C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C	ZINC000082217134	HJ	Annotated	Anodyne	
Cc1ccccc1CNc1ncnc2c1nc(CC(C)(C)C)n2CC[C@@H]1CCCN1C	ZINC000082221783	HJ	Annotated	Anodyne	
Cc1ccccc1CNc1ncnc2c1nc(CC(C)(C)C)n2CC[C@H]1CCCN1C	ZINC000082221785	HJ	Annotated	Anodyne	
CC1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccccc2F)CC1	ZINC000082230037	HJ	Annotated	Anodyne	
CC1CCN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccccc2F)CC1	ZINC000082230038	HJ	Annotated	Anodyne	
Cc1nc2nc(N3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccc2[nH]c1=O	ZINC000082231664	HJ	Annotated	Anodyne	
O=c1[nH]c2ccc(N3CCC[C@H]4CCCC[C@@H]43)nc2nc1CSCc1ccccc1	ZINC000082232192	HJ	Annotated	Anodyne	
O=c1[nH]c2ccc(N3CCC[C@@H]4CCCC[C@@H]43)nc2nc1CSCc1ccccc1	ZINC000082232193	HJ	Annotated	Anodyne	
O=C(/N=N/c1c(O)n([C@H]2OC(=O)c3ccccc32)c2ccccc12)c1ccc(O)cc1	ZINC000084415922	HJ	Annotated	Clean	
O=C(/N=N/c1c(O)n([C@@H]2OC(=O)c3ccccc32)c2ccccc12)c1ccc(O)cc1	ZINC000084415928	HJ	Annotated	Clean	
COc1ccc(-n2c(S[C@H](C)C(=O)Nc3nc(C)cs3)nc3ccccc32)cc1	ZINC000084587060	HJ	Annotated	Anodyne	
COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3nc(C)cs3)nc3ccccc32)cc1	ZINC000084587063	HJ	Annotated	Anodyne	
CCOc1ccccc1-c1nc(O)c2c(n1)c(-c1ccccc1)nn2-c1cccnc1	ZINC000084596559	HJ	Annotated	Anodyne	
CC[C@H](NCCCC[C@@H](Oc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1	ZINC000084605405	HJ	Annotated	Bother	
CC[C@@H](NCCCC[C@@H](Oc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1	ZINC000084605406	HJ	Annotated	Bother	
N#Cc1c(-c2ccccc2)c(C#N)c2nc(O)c3c(-c4ccccc4)csc3n2c1=N	ZINC000084615134	HJ	Annotated	Mild	
N#Cc1c(-c2ccccc2)csc1NC(=O)c1ccc(-c2cccs2)[nH]c1=O	ZINC000084615958	HJ	Annotated	Mild	
COc1ccc2c(c1Br)CCC=C2c1cc(OC)c(OC)c(OC)c1	ZINC000084616017	HJ	Annotated	Anodyne	
N#Cc1ccc2[nH]cc(C3(c4c[nH]c5ccc(C#N)cc45)C(=O)Nc4ccccc43)c2c1	ZINC000084617468	HJ	Annotated	Mild	
O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C\c1cccc(F)c1	ZINC000084617700	HJ	Annotated	Reactive	
O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C/c1cccc(F)c1	ZINC000084617703	HJ	Annotated	Reactive	
CN(C(=O)Nc1ccn(-c2ccccc2F)n1)C1CCC2(CC1)COc1ccccc12	ZINC000084617946	HJ	Annotated	Anodyne	
COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@H](C)c3ccccc3)c12	ZINC000084618969	HJ	Annotated	Anodyne	
COc1ccc2c(c1CCCCO)CCC[C@@H]2c1cc(OC)c(OC)c(OC)c1	ZINC000084619858	HJ	Annotated	Anodyne	
COc1ccc2c(c1CCCCO)CCC[C@H]2c1cc(OC)c(OC)c(OC)c1	ZINC000084619860	HJ	Annotated	Anodyne	
Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccc4ccccc4n3)C[C@@H]1O2	ZINC000084633414	HJ	Annotated	Anodyne	
Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccc4ccccc4n3)C[C@@H]1O2	ZINC000084633416	HJ	Annotated	Anodyne	
Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccnc4ccccc34)C[C@@H]1O2	ZINC000084633920	HJ	Annotated	Anodyne	
Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccnc4ccccc34)C[C@@H]1O2	ZINC000084633922	HJ	Annotated	Anodyne	
Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccc4ncccc4c3)C[C@@H]1O2	ZINC000084633924	HJ	Annotated	Anodyne	
Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccc4ncccc4c3)C[C@@H]1O2	ZINC000084633926	HJ	Annotated	Anodyne	
Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3cccc4cccnc34)C[C@@H]1O2	ZINC000084633928	HJ	Annotated	Anodyne	
Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3cccc4cccnc34)C[C@@H]1O2	ZINC000084633929	HJ	Annotated	Anodyne	
O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c2ccccc12	ZINC000084635562	HJ	Annotated	Anodyne	
CN(C(=O)Nc1ccn(-c2ccccc2F)n1)C1CCC2(CC1)OCc1ccccc12	ZINC000084635820	HJ	Annotated	Anodyne	
CCCCCc1cn(-c2cc(-n3cc(CCCCC)nn3)c3ccccc3n2)nn1	ZINC000084635899	HJ	Annotated	Anodyne	
CCc1nc2ccc(Br)cc2c(=O)n1-c1nc2cc(C)ccc2s1	ZINC000084652332	HJ	Annotated	Anodyne	
CCc1nc2ccc(Br)cc2c(=O)n1-c1nc2c(C)cc(C)cc2s1	ZINC000084652333	HJ	Annotated	Anodyne	
CCc1nc2ccc(Br)cc2c(=O)n1-c1nc2c(C)cccc2s1	ZINC000084652335	HJ	Annotated	Anodyne	
Cc1c(-c2ccc(-c3cnn(CCN4CCCCC4)c3)cc2)[nH]c2ccccc2c1=O	ZINC000084652498	HJ	Annotated	Anodyne	
CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc2c(Br)cccc12	ZINC000084652768	HJ	Annotated	Reactive	
CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc2c(Br)cccc12	ZINC000084652769	HJ	Annotated	Reactive	
O=C1/C(=C/c2ccc(Cl)c(Cl)c2)CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34	ZINC000084652837	HJ	Annotated	Anodyne	
O=c1c(CO)c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2ccccc12	ZINC000084653286	HJ	Annotated	Anodyne	
COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(=O)C(C)(C)C)cc2C1	ZINC000084653515	HJ	Annotated	Anodyne	
COc1ccc(/C=C/c2onc(C)c2-n2c(C)nc3nc4ccccc4cc3c2=O)cc1	ZINC000084653889	HJ	Annotated	Bother	
CN1CCC(Oc2ccc3cc(-c4ccc(OC(F)(F)F)cc4)c(=O)oc3c2)CC1	ZINC000084655311	HJ	Annotated	Anodyne	
CN1CCC(NCc2ccc([C@@H]3Nc4c(F)cc(F)cc4[C@@H]4C=CC[C@@H]43)cc2)CC1	ZINC000084668789	HJ	Annotated	Clean	
Cc1cc(C)c(NC(=O)CSc2nc(O)c(C#N)c(C3CCCCC3)n2)c(C)c1	ZINC000084669075	HJ	Annotated	Mild	
O=C(N[C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]12)C1(c2ccccc2)CCCCC1	ZINC000084669539	HJ	Annotated	Anodyne	
COCCN(C)c1ccc(C)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12	ZINC000084669713	HJ	Annotated	Anodyne	
CC[C@H](Sc1ccc(-c2ccccc2)nn1)C(=O)N(c1nc(C)cs1)C1CC1	ZINC000084669830	HJ	Annotated	Anodyne	
CC[C@@H](Sc1ccc(-c2ccccc2)nn1)C(=O)N(c1nc(C)cs1)C1CC1	ZINC000084669831	HJ	Annotated	Anodyne	
Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2sc3ccccc3n12	ZINC000084670086	HJ	Annotated	Anodyne	
CCc1nc2ccc(Br)cc2c(=O)n1-c1nc2cc(Cl)ccc2s1	ZINC000084670112	HJ	Annotated	Anodyne	
O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](CCCc4ccc(-c5ccccc5)o4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34	ZINC000084671592	HJ	Annotated	Anodyne	
Cc1ccc(Cl)cc1Oc1ccncc1CNc1ccccc1S(C)(=O)=O	ZINC000084671771	HJ	Annotated	Anodyne	
CC(C)c1ccc2c(c1)C1(CCN(Cc3nccn3C)CC1)C(=O)N2c1ccccc1	ZINC000084672509	HJ	Annotated	Anodyne	
CC(C)[C@H](NC(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)c1ccc(C#N)cc1	ZINC000084688690	HJ	Annotated	Mild	
CC(C)[C@@H](NC(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)c1ccc(C#N)cc1	ZINC000084688691	HJ	Annotated	Mild	
N=C(N)SCc1cc(F)ccc1Sc1cc(F)c(F)cc1CSC(=N)N	ZINC000084689411	HJ	Annotated	Anodyne	
COc1ccc(OCCF)c(CN(C(C)=O)c2cccnc2Oc2ccccc2)c1	ZINC000084689778	HJ	Annotated	Anodyne	
O=S(=O)(Nc1cc(Sc2ccccn2)c(O)c2ccccc12)c1cccs1	ZINC000084689861	HJ	Annotated	Clean	
COc1ccc(SC[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)c(OC)c1	ZINC000084690435	HJ	Annotated	Anodyne	
COc1ccc(SC[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)c(OC)c1	ZINC000084690436	HJ	Annotated	Anodyne	
CCC(=O)c1ccc2oc(CSc3nnc(CNc4ccccc4)n3CC)nc2c1	ZINC000084690715	HJ	Annotated	Anodyne	
CCC(=O)c1ccc2nc(CSc3nnc(CNc4ccccc4)n3CC)oc2c1	ZINC000084690717	HJ	Annotated	Anodyne	
Clc1ccc(-c2ccc3c(c2)C[C@H](NCc2ccc(-n4cncn4)cc2)C3)cc1	ZINC000084690914	HJ	Annotated	Anodyne	
Clc1ccc(-c2ccc3c(c2)C[C@@H](NCc2ccc(-n4cncn4)cc2)C3)cc1	ZINC000084690915	HJ	Annotated	Anodyne	
CCOC(OCC)c1ccc(/C=N/Nc2cc(C)nc3cc4c(cc23)OCO4)cc1	ZINC000084691008	HJ	Annotated	Mild	
COC1=C2CC[C@H]3[C@@H]4CC[C@@](O)(Cc5ccccn5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O	ZINC000084706496	HJ	Annotated	Mild	
Cc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N(C)Cc4ccc(F)c(F)c4)cc23)c1	ZINC000084706867	HJ	Annotated	Anodyne	
CCNC(=O)OCc1c(COC(=O)NCC)c2sc3ccccc3n2c1C1CC1	ZINC000084706942	HJ	Annotated	Anodyne	
CN(Cc1cccc(F)c1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O	ZINC000084709355	HJ	Annotated	Anodyne	
CN(Cc1ccc(F)cc1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O	ZINC000084709357	HJ	Annotated	Anodyne	
CN[C@@H](C)c1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1	ZINC000084709440	HJ	Annotated	Anodyne	
CN[C@H](C)c1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1	ZINC000084709442	HJ	Annotated	Anodyne	
CCOC(=O)C1=C(Nc2ccccc2)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1	ZINC000084713197	HJ	Annotated	Anodyne	
CCOC(=O)C1=C(Nc2ccccc2)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1	ZINC000084713198	HJ	Annotated	Anodyne	
C=C1CC[C@H]2[C@](C)(/C=C/C=C(C)C)CCC[C@]2(C)[C@H]1CC(=O)NCCS(=O)(=O)O	ZINC000084713204	HJ	Annotated	Mild	
COc1cc2cc(S(=O)(=O)c3ccc(C)cc3)c3nc(C)sc3c2cc1OC	ZINC000084713310	HJ	Annotated	Anodyne	
CN1CCC(Oc2ccc3cc(-c4cccc(C(F)(F)F)c4)c(=O)oc3c2)CC1	ZINC000084713504	HJ	Annotated	Anodyne	
O=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1ccccn1)CC2	ZINC000084714521	HJ	Annotated	Anodyne	
COC(=O)CCSC/C=C(\C)CCn1cc(-c2ccc(C(C)(C)C)cc2)nn1	ZINC000084723479	HJ	Annotated	Anodyne	
COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(=O)OC(C)C)cc2C1	ZINC000084726155	HJ	Annotated	Anodyne	
CC1(C)NC(=O)Cn2c1nc(-c1ccc(F)cc1)c2Nc1ccc(F)c(Cl)c1	ZINC000084728296	HJ	Annotated	Anodyne	
COCCNc1ccc(C)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12	ZINC000084729958	HJ	Annotated	Anodyne	
CCCCCCc1c(O)c(Cl)cc2c1O[C@@]1(C2=O)C(Cl)=C(Cl)C(=O)N1C	ZINC000084730845	HJ	Annotated	Anodyne	
CCCCCCc1c(O)c(Cl)cc2c1O[C@]1(C2=O)C(Cl)=C(Cl)C(=O)N1C	ZINC000084730849	HJ	Annotated	Anodyne	
Cc1ccc2nc(C(F)(F)F)c(C(=O)NCc3cc(Cl)cc(Cl)c3)n2c1	ZINC000084738837	HJ	Annotated	Anodyne	
C/C(=C(/OCCCCOc1ccc(F)cc1)c1ccc(F)cc1F)n1cncn1	ZINC000084741963	HJ	Annotated	Anodyne	
Cc1nc2c(S(=O)(=O)c3ccc(Cl)cc3)c(N)c3cc(F)ccc3c2s1	ZINC000084757421	HJ	Annotated	Anodyne	
CC[C@H]1CC[C@H]2[C@H]3[C@@H](c4ccc(OC(C)=O)cc4C[C@H]3C)[C@@H](O[N+](=O)[O-])C[C@]12C	ZINC000084758811	HJ	Annotated	Anodyne	
CC1(C)CC(=O)C(C(=S)SCCO)=C(Nc2ccc(Br)cc2)C1	ZINC000084759297	HJ	Annotated	Mild	
Cc1cc2cc(CN(Cc3ccco3)C(=O)NCc3ccccc3)c(=O)[nH]c2cc1C	ZINC000008578976	HJ	Annotated	Anodyne	 
Cc1cc(C)cc(NC(=O)CCC(=O)N2Cc3ccccc3Oc3ncccc32)c1	ZINC000008598003	HJ	Annotated	Anodyne	
CCSC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)N=C1c1ccc(C)cc1	ZINC000008598085	HJ	Annotated	Anodyne	
O=C(CCC(=O)N1Cc2ccccc2Oc2ncccc21)Nc1ccc(Cl)cc1	ZINC000008602503	HJ	Annotated	Anodyne	 
CCn1nc(C)c2c(-c3ccccc3)cc(=O)n([C@@H](C)C(=O)Nc3cccc(F)c3)c21	ZINC000008605266	HJ	Annotated	Anodyne	
CCn1nc(C)c2c(-c3ccccc3)cc(=O)n([C@H](C)C(=O)Nc3cccc(F)c3)c21	ZINC000008605268	HJ	Annotated	Anodyne	
Cc1cc(=O)n(Cc2cccc(Br)c2)c2c1c(C)nn2-c1ccccc1	ZINC000008605792	HJ	Annotated	Anodyne	 
CCOc1ccccc1CNC(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1	ZINC000008611555	HJ	Annotated	Anodyne	
CC(C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(=O)[C@@H]1[C@H]2c1cccs1	ZINC000008617988	HJ	Annotated	Anodyne	
CC(C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(=O)[C@H]1[C@@H]2c1cccs1	ZINC000008617989	HJ	Annotated	Anodyne	
O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CC(c2c(Cl)cccc2Cl)=NO1	ZINC000008666529	HJ	Annotated	Anodyne	 
O=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1CC(c2c(Cl)cccc2Cl)=NO1	ZINC000008666530	HJ	Annotated	Anodyne	 
Cc1ccc2cc(CN(Cc3ccco3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1C	ZINC000008667231	HJ	Annotated	Anodyne	
O[C@H](COc1ccc2ccccc2c1Br)Cn1cnc(-c2ccccc2)c1	ZINC000008670824	HJ	Annotated	Anodyne	 
O[C@@H](COc1ccc2ccccc2c1Br)Cn1cnc(-c2ccccc2)c1	ZINC000008670825	HJ	Annotated	Anodyne	 
C[C@H]([C@@H]1CCCCN1)[C@@H]1[C@@H](O)C[C@@H]2[C@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000008681872	HJ	Annotated	Anodyne	 
CCn1c(O)c(/N=N\C(=O)c2ccc(CSc3nncn3C)cc2)c2ccccc21	ZINC000008692360	HJ	Annotated	Clean	
CCOc1ccc(S(=O)(=O)N/N=C(\C)c2ccc(Cl)c(Cl)c2Cl)cc1	ZINC000008693878	HJ	Annotated	Mild	 
Cc1cc(C)c2cc(CN(Cc3ccco3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1	ZINC000008772702	HJ	Annotated	Anodyne	
O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC(c2c(Cl)cccc2Cl)=NO1	ZINC000008829391	HJ	Annotated	Anodyne	 
O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC(c2c(Cl)cccc2Cl)=NO1	ZINC000008829392	HJ	Annotated	Anodyne	 
NCCC1=C[C@@H]([C@@H](C=O)CCCCCCC/C=C/C[C@@H](CCCO)C(=O)O)CC1	ZINC000085489213	HJ	Annotated	Mild	in-vitro biogenic
CCCCCCC[C@H](CCCC/C(=C/C(=O)O)CN=C(N)N)Cc1ccc(O)cc1	ZINC000085510439	HJ	Annotated	Mild	in-vitro biogenic
CNC[C@H](/C=C/C(=O)O)CCC[C@H](CCCCC[C@@H](C)C=O)Cc1ccc(O)cc1	ZINC000085510510	HJ	Annotated	Mild	in-vitro biogenic
C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4C5=C(C[C@H]4[C@@H]3CN2C1)[C@@]1(C)CC[C@@H](O)C[C@@H]1[C@@H](O)C5	ZINC000085510814	HJ	Annotated	Anodyne	in-vitro biogenic
C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(C)C(=O)OC	ZINC000085530773	HJ	Annotated	Anodyne	in-vitro biogenic
C[C@@H]1CC[C@@H]2[C@H](C)C3=C(CN2C1)[C@@H]1C[C@H]2[C@@H](C[C@@H](O)[C@H]4C[C@H](O)CC[C@]24C)[C@@H]1CC3	ZINC000085542442	HJ	Annotated	Anodyne	in-vitro biogenic
C[C@]12CCC[C@@H]3C[C@@]4(O1)[C@H]1CCC[C@@H](Cc5ccc(O)cc5CC#C[C@@H]4[C@@H](N)[C@@H]32)C1	ZINC000085543234	HJ	Annotated	Mild	in-vitro biogenic
CC1(C)O[C@@]2([C@H]3CCC[C@H](Cc4ccc(O)cc4)C3)CC[C@@H]1[C@@](N)(CCCO)C2	ZINC000085543266	HJ	Annotated	Anodyne	in-vitro biogenic
C=C1[C@H]2[C@@H](CO)C[C@](C(=O)CCc3cccc(-c4cccc(O)c4)c3)([C@@H]2OC)C1(C)C	ZINC000085546366	HJ	Annotated	Mild	in-vitro biogenic
C=C1[C@H]2CC[C@@](C(=O)CCc3cccc(-c4cccc(O)c4)c3)(C1(C)C)[C@]2(O)OC	ZINC000085546390	HJ	Annotated	Mild	in-vitro biogenic
CC(C)CC[C@H]1C[C@@H]2N[C@@H]([C@@H]3C[C@H]([C@H](C)c4ccc(C=O)cc4)N4C[C@]34O)CC[C@@H]2C1	ZINC000085547812	HJ	Annotated	Anodyne	in-vitro biogenic
C[C@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=C[C@@H](O)[C@]12C	ZINC000085559665	HJ	Annotated	Anodyne	 
CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@H]3C=C4C(=O)O/C(=C\C[C@H](C)CNC)[C@@]4(CC3)[C@@H]21	ZINC000085571249	HJ	Annotated	Anodyne	in-vitro biogenic
CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3C=C4C(=O)O/C(=C\CCC)[C@]4(CC3)[C@@]21CCO	ZINC000085571574	HJ	Annotated	Anodyne	in-vitro biogenic
CC#Cc1ccc(-c2ccc(C(=O)C3CCC(CCCN=C(N)N)CC3)s2)s1	ZINC000085592367	HJ	Annotated	Mild	in-vitro biogenic
C=C(C)CCc1ccc(O)c2c1O[C@H](O)c1c(OCC=C(C)C)c(C)cc(O)c1C2=O	ZINC000085593304	HJ	Annotated	Mild	 
C=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)C[C@@H]([C@@](C)(O)CCCCCC)O3	ZINC000085595079	HJ	Annotated	Anodyne	in-vitro biogenic
CCCCCC(=O)CC(=O)C1=Cc2cc(OC)c(O)cc2[C@@H](c2ccc(N)nc2)CC1	ZINC000085596498	HJ	Annotated	Mild	in-vitro biogenic
CCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1-c1ccc2ccc(O)cc2c1	ZINC000085597471	HJ	Annotated	Anodyne	in-vitro biogenic
CCC[C@@H](O)CC(=O)CCc1ccc(O)c(OCc2ccc3cc(O)ccc3c2)c1	ZINC000085597504	HJ	Annotated	Anodyne	in-vitro biogenic
CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=C[C@H]1O	ZINC000085599508	HJ	Annotated	Anodyne	in-man endogenous
CCCC[C@H](CC1=C[CH+]N=C1)[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O	ZINC000085624709	HJ	Annotated	Mild	in-vitro biogenic
CC[C@H](CC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O)CC1=C[CH+]N=C1	ZINC000085624726	HJ	Annotated	Mild	in-vitro biogenic
CCC/C(=C/C(=O)CCc1cc(CCCOC)c(O)c(OC2CCCC2)c1)CO	ZINC000085625176	HJ	Annotated	Mild	in-vitro biogenic
CC[C@H](/C=C/C(=O)CCc1cc(CCCOC)c(O)c(OC2CCCC2)c1)CCO	ZINC000085625179	HJ	Annotated	Mild	in-vitro biogenic
COc1cc(CCC(=O)CC(=O)[C@H]2C=Cc3nc[c-]4c3[C@@H]2C[C@H](C)CCC4)ccc1O	ZINC000085627166	HJ	Annotated	Anodyne	in-vitro biogenic
CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(O[C@H]2CCCC[C@@H]2CCCO)c1	ZINC000085629198	HJ	Annotated	Anodyne	in-vitro biogenic
C[C@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc(O)c(OCCc3ccccc3)c2)CC1	ZINC000085629208	HJ	Annotated	Anodyne	in-vitro biogenic
CNC[C@H](C)CC1(CCCC(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)CCCC1	ZINC000085630786	HJ	Annotated	Mild	in-vitro biogenic
CC(=O)OC[C@H](O)COC(=O)[C@H]1[C@H](C)CC[C@]2(C)C(CCC=C(C)C)=CCC[C@]12C	ZINC000085641926	HJ	Annotated	Anodyne	 
CC(=O)O[C@@H](CO)COC(=O)[C@H]1[C@H](C)CC[C@]2(C)C(CCC=C(C)C)=CCC[C@]12C	ZINC000085641991	HJ	Annotated	Anodyne	 
COc1ccc(Cn2cncc2CNc2ccc(F)c(-c3ccccc3)c2)c(N)c1	ZINC000085679178	HJ	Annotated	Anodyne	
C=C1C/C=C/[C@](C)(OC(C)=O)CC[C@@H]2C(C(=O)CC=C(C)C)=CO[C@@H](OC(C)=O)[C@@H]12	ZINC000085690972	HJ	Annotated	Mild	 
CO[C@@]1(CCCC#C/C=C/CCCCCCCC(C)=O)CC[C@@H](CC(=O)O)OO1	ZINC000085772486	HJ	Annotated	Reactive	 
C/C(=C\Cc1ccccc1)CCC[C@@H](C)C[C@]1(C)C[C@@]2(C)OC(=O)C[C@@]2(O)OO1	ZINC000085775905	HJ	Annotated	Reactive	 
CCCCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(C)cc(O)cc1O2	ZINC000085814099	HJ	Annotated	Mild	 
CCC[C@H](CC(=O)O)c1c(O)c2c(c(CC=C(C)C)c1OC)O[C@@H](C)[C@H](C)C2=O	ZINC000085834565	HJ	Annotated	Anodyne	 
C/C=C(\C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@H]2CC[C@@H]3O[C@]3(C)[C@]12C	ZINC000085841684	HJ	Annotated	Anodyne	 
C=C(CC/C=C(\C)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O)C(C)=O	ZINC000085859357	HJ	Annotated	Mild	 
COc1cc([C@H]2O[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H](C)[C@@H]2C)cc(OC)c1O	ZINC000085861131	HJ	Annotated	Anodyne	 
COc1cc([C@H]2O[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H](C)[C@@H]2C)cc(O)c1OC	ZINC000085861142	HJ	Annotated	Anodyne	 
COC(=O)[C@H](CCCCCC(Cl)Cl)[C@H](CCCC#C/C=C/Cl)NC(C)=O	ZINC000085918765	HJ	Annotated	Reactive	 
C[C@H]1Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2[C@H](O)[C@H]1C)O[C@H]1[C@@H]3C1(C)C	ZINC000085940352	HJ	Annotated	Anodyne	 
CCC[C@H](CC(=O)OC)c1c2c(c(O)c3c1O[C@H](C)[C@H](C)C3=O)C=CC(C)(C)O2	ZINC000085943429	HJ	Annotated	Anodyne	 
CCC[C@@H](CC(=O)OC)c1c2c(c(O)c3c1O[C@@H](C)[C@H](C)C3=O)C=CC(C)(C)O2	ZINC000085943433	HJ	Annotated	Anodyne	 
COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)C[C@@H]1CCC[N+]1([O-])C3	ZINC000085949638	HJ	Annotated	Bother	 
CC(C)=CCc1cc(C[C@H](O)C(=O)c2cc(CC=C(C)C)c(O)cc2O)ccc1O	ZINC000085956029	HJ	Annotated	Anodyne	in-man endogenous
C=C[C@@]1(C)C[C@](O)([C@H]2O[C@]2(C)CCC=C(C)C)Oc2c1c(=O)oc1cccc(C)c21	ZINC000085974028	HJ	Annotated	Mild	 
C=C[C@]1(C)C[C@@](O)([C@H]2O[C@]2(C)CCC=C(C)C)Oc2c1c(=O)oc1cccc(C)c21	ZINC000085974038	HJ	Annotated	Mild	 
CC(C)=CC(=O)O[C@H]1/C=C/[C@](C)(C/C=C/C(C)(C)O)C/C=C(/C=O)CC[C@H]2O[C@]12C	ZINC000085981683	HJ	Annotated	Reactive	 
COc1cccc([C@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]3CCCN32)c1OC	ZINC000085988135	HJ	Annotated	Anodyne	 
COc1ccc(Br)cc1[C@H]1N(c2cccc(Cl)c2)C(=O)[C@@H]2CCCN21	ZINC000085988237	HJ	Annotated	Anodyne	 
COc1ccc(Br)cc1[C@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2CCCN21	ZINC000085988294	HJ	Annotated	Anodyne	 
C=C[C@@](C)(O)CCC1=C(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]12C	ZINC000085993295	HJ	Annotated	Mild	in-man
C=C[C@@](C)(O)CCC1=C(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]12C	ZINC000085993297	HJ	Annotated	Mild	in-man
C=C[C@@](C)(O)CCC1=C(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]12C	ZINC000085993299	HJ	Annotated	Mild	in-man
C=C[C@@](C)(O)CCC1=C(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]12C	ZINC000085993300	HJ	Annotated	Mild	in-man
C=C(C)[C@@H](Cc1c2c(c(O)c3c(=O)c4cc(O)ccc4oc13)C=CC(C)(C)O2)OO	ZINC000086000135	HJ	Annotated	Reactive	in-vitro
C=C(C)[C@H](Cc1c2c(c(O)c3c(=O)c4cc(O)ccc4oc13)C=CC(C)(C)O2)OO	ZINC000086000137	HJ	Annotated	Reactive	in-vitro
CC(C)=CC(=O)OC[C@@]1(C)C[C@H](O)C[C@@]2(C)C1=CC=C1C=C(C(C)C)C(=O)C(O)=C12	ZINC000086004315	HJ	Annotated	Mild	 
CC(C)(O)[C@@H]1O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O	ZINC000086038564	HJ	Annotated	Mild	 
COc1ccc([C@H]2O[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H](C)[C@@H]2C)cc1OC	ZINC000086043470	HJ	Annotated	Anodyne	 
CC(=O)Oc1ccc(C(=O)O[C@H]2C/C=C(\C)CCCC(C)(C)[C@H](O)/C=C/2C)cc1	ZINC000087723325	HJ	Annotated	Anodyne	
CC(=O)Oc1ccc(C(=O)O[C@@H]2C/C=C(\C)CCCC(C)(C)[C@H](O)/C=C/2C)cc1	ZINC000087723327	HJ	Annotated	Anodyne	
O=C1Nc2ncccc2/C1=N/OC(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000089222096	HJ	Annotated	Mild	 
O=COc1ccc([C@@H]2CC(c3ccccc3O)=Nc3ccccc3S2)cc1OC=O	ZINC000089469012	HJ	Annotated	Anodyne	
O=COc1ccc([C@H]2CC(c3ccccc3O)=Nc3ccccc3S2)cc1OC=O	ZINC000089469014	HJ	Annotated	Anodyne	
O=C(NCc1ccncc1)C1=NC=C(C2=C(c3cc(Cl)cc(Cl)c3)CN=N2)C1	ZINC000089469247	HJ	Annotated	Anodyne	
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c1C	ZINC000009053231	HJ	Annotated	Anodyne	 
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c1C	ZINC000009053236	HJ	Annotated	Anodyne	 
CO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nc(O)c2[C@H]1c1cccnc1	ZINC000009393845	HJ	Annotated	Anodyne	
CO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nc(O)c2[C@@H]1c1ccncc1	ZINC000009393854	HJ	Annotated	Anodyne	
O=C(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2cc(Cl)ccc2C1	ZINC000009635979	HJ	Annotated	Anodyne	
Cc1ccc(-c2c(C(=O)N3CCn4c3nc3ccccc34)oc(=O)c3ccccc23)cc1	ZINC000009678350	HJ	Annotated	Anodyne	 
Cc1nc(Nc2cc(Cl)ccc2O)nc(Nc2cc(Cl)ccc2O)c1[N+](=O)[O-]	ZINC000009761159	HJ	Annotated	Bother	 
CC(=O)C[C@@H]1C(=O)C(CO)=CC[C@](C)(CCC=C(C)C)[C@@H]1/C=C\OC(=O)C=C(C)C	ZINC000095099570	HJ	Annotated	Mild	in-vitro biogenic
COC1=CC2=C([C@H](OC)[C@H]1c1c(C)cc3cccc(OC)c3c1O)[C@@H](C)N(C)[C@@H](C)C2	ZINC000095486020	HJ	Annotated	Anodyne	in-vitro biogenic
Cn1cccc1CN(Cc1ccc(O)c2ncccc12)Cc1ccc(O)c2ncccc12	ZINC000095541576	HJ	Annotated	Anodyne	
CCC[C@@H]1COc2ccc(C)c3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23	ZINC000095552102	HJ	Annotated	Anodyne	
CCC[C@H]1COc2ccc(C)c3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23	ZINC000095552103	HJ	Annotated	Anodyne	
CCOc1ccc(/C=C2\C(=O)N(c3ccc(C(F)(F)F)cc3)N=C2C)cc1OC	ZINC000095552274	HJ	Annotated	Clean	
CCOC(=O)c1c(-c2cccc(OC(F)(F)F)c2)[nH]c2cc(F)cc(F)c2c1=O	ZINC000095552625	HJ	Annotated	Anodyne	
Cn1cccc1S(=O)(=O)Cc1ccccc1/N=C/c1ccc(C(F)(F)F)cc1	ZINC000095552799	HJ	Annotated	Mild	
Cc1c(C(=O)NCc2cccc3ccccc23)oc2cccc(OC3CCNCC3)c12	ZINC000095553430	HJ	Annotated	Anodyne	
CCOc1ccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc1OC	ZINC000095554498	HJ	Annotated	Clean	
CCOC(=O)[C@@H]1C(c2ccccc2)(c2ccccc2)[C@]12C(=O)N(c1ccccc1)N=C2C	ZINC000095554575	HJ	Annotated	Anodyne	
CCOC(=O)[C@H]1C(c2ccccc2)(c2ccccc2)[C@]12C(=O)N(c1ccccc1)N=C2C	ZINC000095554576	HJ	Annotated	Anodyne	
CCOC(=O)[C@@H]1C(c2ccccc2)(c2ccccc2)[C@@]12C(=O)N(c1ccccc1)N=C2C	ZINC000095554577	HJ	Annotated	Anodyne	
CCOC(=O)[C@H]1C(c2ccccc2)(c2ccccc2)[C@@]12C(=O)N(c1ccccc1)N=C2C	ZINC000095554578	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CCc2c(n(C(=O)OC(C)(C)C)c3ccccc23)[C@@H]1CC=O	ZINC000095554912	HJ	Annotated	Mild	
CC(C)(C)OC(=O)N1CCc2c(n(C(=O)OC(C)(C)C)c3ccccc23)[C@H]1CC=O	ZINC000095554913	HJ	Annotated	Mild	
COc1cc(Cn2c(-c3ccc(C#N)cc3)nc3cc(C)ccc32)cc(OC)c1OC	ZINC000095555442	HJ	Annotated	Mild	
CCS(=O)(=O)Nc1cc(Cl)cc2c1[nH]c1cnc(NCc3ccccc3)cc12	ZINC000095555555	HJ	Annotated	Anodyne	
CO[C@@H]1Cc2c(csc2-c2cccnc2)C2(CCN(Cc3ccccc3)CC2)O1	ZINC000095556326	HJ	Annotated	Anodyne	
CO[C@H]1Cc2c(csc2-c2cccnc2)C2(CCN(Cc3ccccc3)CC2)O1	ZINC000095556327	HJ	Annotated	Anodyne	
COC(=O)[C@@]1(C)C(c2ccccc2)(c2ccccc2)[C@]12C(=O)N(c1ccccc1)N=C2C	ZINC000095556990	HJ	Annotated	Anodyne	
COC(=O)[C@@]1(C)C(c2ccccc2)(c2ccccc2)[C@@]12C(=O)N(c1ccccc1)N=C2C	ZINC000095556991	HJ	Annotated	Anodyne	
COC(=O)[C@]1(C)C(c2ccccc2)(c2ccccc2)[C@]12C(=O)N(c1ccccc1)N=C2C	ZINC000095556992	HJ	Annotated	Anodyne	
COC(=O)[C@]1(C)C(c2ccccc2)(c2ccccc2)[C@@]12C(=O)N(c1ccccc1)N=C2C	ZINC000095556993	HJ	Annotated	Anodyne	
CC[C@@]1(O)CCN2Cc3c(c4cc(OC)c(OC)cc4c4cc(OC)ccc34)C[C@H]2C1	ZINC000095557489	HJ	Annotated	Bother	
CC(C)(C)OC(=O)N1CCc2c(n(C(=O)OC(C)(C)C)c3ccccc23)[C@@H]1CCO	ZINC000095557631	HJ	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CCc2c(n(C(=O)OC(C)(C)C)c3ccccc23)[C@H]1CCO	ZINC000095557632	HJ	Annotated	Anodyne	
C[C@H]1C[C@H]2O[C@]23[C@@H](C)[C@H]2[C@H](C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@@]42C)N3C1	ZINC000095558810	HJ	Annotated	Mild	
Cc1ccc(NC(=O)CSc2nccnc2-c2ccccc2Cl)c([N+](=O)[O-])c1	ZINC000095559413	HJ	Annotated	Bother	
Cc1c(O)c(C(=O)C(C)C)c(O)c2c1oc1c(C)c(O)c(C(=O)C(C)C)c(O)c12	ZINC000095559719	HJ	Annotated	Anodyne	
Cc1c(O)c(C(=O)C(C)C)c2oc3c(C(=O)C(C)C)c(O)c(C)c(O)c3c2c1O	ZINC000095560847	HJ	Annotated	Anodyne	
O=c1c(CN(CCO)C2CCCCC2)coc2cccc(OCC3CCCCC3)c12	ZINC000095561246	HJ	Annotated	Anodyne	
CCC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1ccccc1Cl)S(C)(=O)=O	ZINC000095561944	HJ	Annotated	Anodyne	
CCC[C@H](C(=O)Nc1cccc(Cl)c1)N(c1ccccc1Cl)S(C)(=O)=O	ZINC000095561945	HJ	Annotated	Anodyne	
C[C@H]1C[C@H]2O[C@]23[C@@H](C)[C@H]2[C@H](C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@@]42C)N3C1	ZINC000095562441	HJ	Annotated	Anodyne	 
CC(C)(C)c1ccc(OCc2nc3cc(C(=O)NCc4ccco4)ccc3[nH]2)cc1	ZINC000095563325	HJ	Annotated	Anodyne	
COc1cc2c(ccc3c4ccc(OC)c(OC)c4c[n+](C)c23)c(C2CC2)c1OC	ZINC000095563457	HJ	Annotated	Bother	
CCOc1ccc(-c2sc(NC)nc2-c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000095564223	HJ	Annotated	Anodyne	
C[C@H](Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cncn2c1-c1cccc(F)c1	ZINC000095564440	HJ	Annotated	Anodyne	
C[C@@H](Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cncn2c1-c1cccc(F)c1	ZINC000095564441	HJ	Annotated	Anodyne	
Cc1nn(-c2ccccc2Cl)c(C)c1CC(=O)NCc1ccc(F)cc1Cl	ZINC000095565837	HJ	Annotated	Anodyne	
Cn1c(-c2ccccc2)cnc1Nc1nc(-c2ccccn2)nnc1-c1ccccc1	ZINC000095565977	HJ	Annotated	Anodyne	
O=C(c1cccc(F)c1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21	ZINC000095566724	HJ	Annotated	Anodyne	
c1ccc(-c2nnc(Nc3nc(-c4ccccn4)nnc3-c3ccccc3)s2)cc1	ZINC000095567015	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3ccc(C#N)cc3)c(Cc3cccc(Cl)c3)n2c1	ZINC000095567203	HJ	Annotated	Mild	 
CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(C1CCCCC1)C(=O)c1ccccc12	ZINC000095567303	HJ	Annotated	Anodyne	 
CCOC(=O)[C@]12Cc3cc(OC)ccc3[C@H]1N(C1CCCCC1)C(=O)c1ccccc12	ZINC000095567884	HJ	Annotated	Anodyne	 
O=C(c1cccc(F)c1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21	ZINC000095567901	HJ	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)c(Cc3cccc(F)c3)n2c1	ZINC000095568197	HJ	Annotated	Anodyne	 
FC(F)(F)c1cccc(N2CCN(C(=S)Nc3cc4ccccc4cn3)CC2)c1	ZINC000095568243	HJ	Annotated	Anodyne	
O=C(c1cccc(F)c1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21	ZINC000095568753	HJ	Annotated	Anodyne	
Cc1cc(C)n2c(Nc3ccc4c(c3)OCCO4)c(CCc3ccccc3)nc2n1	ZINC000095568756	HJ	Annotated	Anodyne	 
CCc1ccc(N2C=C(C(=O)OC)[C@H](c3cccc4ccccc34)C(C#N)=C2N)cc1	ZINC000095568926	HJ	Annotated	Reactive	 
CCc1ccc(N2C=C(C(=O)OC)[C@@H](c3cccc4ccccc34)C(C#N)=C2N)cc1	ZINC000095568927	HJ	Annotated	Reactive	 
CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)c2ccccc2F)[C@H]1CO	ZINC000095568937	HJ	Annotated	Anodyne	
FC(F)(F)c1cccc(N2CCN(C(=S)Nc3nccc4ccccc34)CC2)c1	ZINC000095568950	HJ	Annotated	Anodyne	 
CCOC(=O)[C@]12Cc3ccccc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc12	ZINC000095569062	HJ	Annotated	Anodyne	 
S=C(Nc1cc(Cl)ccn1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000095569103	HJ	Annotated	Anodyne	
CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N(CCC#N)Cc1ccccc1	ZINC000095569269	HJ	Annotated	Mild	 
CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N(CCC#N)Cc1ccccc1	ZINC000095569270	HJ	Annotated	Mild	 
COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cc3ccc(OC)cc3C)n2c1	ZINC000095569656	HJ	Annotated	Anodyne	 
CC1(C)OC(=O)C2=C(C[C@@H](CCOCc3ccccc3)O[C@H]2c2ccc(F)cc2)O1	ZINC000095570101	HJ	Annotated	Anodyne	 
COC(=O)c1ccc2nc(-c3ccco3)c(Cc3ccccc3C(F)(F)F)n2c1	ZINC000095570182	HJ	Annotated	Anodyne	 
COc1cccc(-c2nc3nc(C)cc(C)n3c2Nc2ccc3c(c2)OCCO3)c1	ZINC000095570199	HJ	Annotated	Anodyne	 
COC(=O)C1=CN(c2ccc(Oc3ccccc3)cc2)C(N)=C(C#N)[C@@H]1c1ccccc1	ZINC000095570263	HJ	Annotated	Reactive	 
COC(=O)C1=CN(c2ccc(Oc3ccccc3)cc2)C(N)=C(C#N)[C@H]1c1ccccc1	ZINC000095570264	HJ	Annotated	Reactive	 
CCOC(=O)[C@]12Cc3ccc(C)cc3[C@H]1N(C1CCCCC1)C(=O)c1ccccc12	ZINC000095570937	HJ	Annotated	Anodyne	 
CC(C)(C)n1nnnc1[C@@H](c1cc2ccccc2o1)N(CCC#N)Cc1ccccc1	ZINC000095571176	HJ	Annotated	Mild	 
CC(C)(C)n1nnnc1[C@H](c1cc2ccccc2o1)N(CCC#N)Cc1ccccc1	ZINC000095571177	HJ	Annotated	Mild	 
COc1ccc(-c2oc3c(c2C#CC2(O)CCCCC2)[C@H](OC(C)=O)CCC3)cc1	ZINC000095571454	HJ	Annotated	Mild	 
COc1ccc(-c2oc3c(c2C#CC2(O)CCCCC2)[C@@H](OC(C)=O)CCC3)cc1	ZINC000095571455	HJ	Annotated	Mild	 
COc1cc(Nc2cccn([C@@H](C)c3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1	ZINC000095571922	HJ	Annotated	Anodyne	
C[C@H]1C[C@@H](C)CN(c2cc3nc(-c4ccccc4)nn(-c4ccccc4)c-3cc2=O)C1	ZINC000095573522	HJ	Annotated	Anodyne	
C[C@H]1C[C@H](C)CN(c2cc3nc(-c4ccccc4)nn(-c4ccccc4)c-3cc2=O)C1	ZINC000095573523	HJ	Annotated	Anodyne	
C[C@@H]1C[C@@H](C)CN(c2cc3nc(-c4ccccc4)nn(-c4ccccc4)c-3cc2=O)C1	ZINC000095573524	HJ	Annotated	Anodyne	
Brc1cccc(CSc2nnc(-c3cnccn3)n2-c2ccccc2)c1	ZINC000095573802	HJ	Annotated	Anodyne	
O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2cc(OCCCO)ccc21	ZINC000095574200	HJ	Annotated	Anodyne	
O=C(C[C@H](c1ccccc1Cl)C(C(=O)O)C(=O)O)c1ccc(C(F)(F)F)cc1	ZINC000095574571	HJ	Annotated	Anodyne	
O=C(C[C@@H](c1ccccc1Cl)C(C(=O)O)C(=O)O)c1ccc(C(F)(F)F)cc1	ZINC000095574572	HJ	Annotated	Anodyne	
COc1cc(/C=C2\CCCN3C[C@@H](c4ccccc4)ON=C23)ccc1-n1cnc(C)c1	ZINC000095575137	HJ	Annotated	Anodyne	
COc1cc(/C=C2\CCCN3C[C@H](c4ccccc4)ON=C23)ccc1-n1cnc(C)c1	ZINC000095575138	HJ	Annotated	Anodyne	
CC#Cc1cncc(-c2cccc([C@]3(c4cc(C)c(OC)c(C)c4)N=C(C)C(N)=N3)c2)c1	ZINC000095575292	HJ	Annotated	Mild	
CC#Cc1cncc(-c2cccc([C@@]3(c4cc(C)c(OC)c(C)c4)N=C(C)C(N)=N3)c2)c1	ZINC000095575293	HJ	Annotated	Mild	
Brc1cc(-c2nnc(Sc3ccccc3)o2)[nH]c1Br	ZINC000095575353	HJ	Annotated	Anodyne	
O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OCCCO)cc21	ZINC000095575367	HJ	Annotated	Anodyne	
CN1C[C@@H](c2ccccc2)OC(=O)CC/C=C/C[C@@H](Cc2ccc(Cl)cc2)C1=O	ZINC000095575434	HJ	Annotated	Anodyne	
COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3c2ccccc2)ccc1-n1cnc(C)c1	ZINC000095575687	HJ	Annotated	Anodyne	
O=C(C[C@H](c1ccc(Cl)cc1)C(C(=O)O)C(=O)O)c1ccc(C(F)(F)F)cc1	ZINC000095575880	HJ	Annotated	Anodyne	
O=C(C[C@@H](c1ccc(Cl)cc1)C(C(=O)O)C(=O)O)c1ccc(C(F)(F)F)cc1	ZINC000095575881	HJ	Annotated	Anodyne	
O=C(Oc1coc(CSc2ccccc2)cc1=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000095576121	HJ	Annotated	Bother	
Clc1ccc(-c2nnc(-c3cc(Br)c(Br)[nH]3)o2)cc1	ZINC000095576539	HJ	Annotated	Anodyne	
Cc1ccccc1[C@@H](C(=O)NC1CC1)N(C(=O)Cc1cccs1)c1cccc(F)c1	ZINC000095577087	HJ	Annotated	Anodyne	
Cc1ccccc1[C@H](C(=O)NC1CC1)N(C(=O)Cc1cccs1)c1cccc(F)c1	ZINC000095577088	HJ	Annotated	Anodyne	
Brc1ccccc1CSc1nnc(-c2cnccn2)n1-c1ccccc1	ZINC000095577288	HJ	Annotated	Anodyne	
O=C(Nc1csc(-c2ccncc2)n1)Nc1cccc2c1[C@@H]1CCCCN1C2=O	ZINC000095577569	HJ	Annotated	Anodyne	
O=C(Nc1csc(-c2ccncc2)n1)Nc1cccc2c1[C@H]1CCCCN1C2=O	ZINC000095577570	HJ	Annotated	Anodyne	
O=C(CCCc1ccc2cccnc2n1)NCc1cc(-c2cccc(Cl)c2)no1	ZINC000095577757	HJ	Annotated	Anodyne	
CCCCCn1cc(C(=O)NN(C)C)c(=O)c2ccc(Sc3ccccc3)cc21	ZINC000095578343	HJ	Annotated	Reactive	
COc1cc(/C=C2\CCCN(Cc3cccc(F)c3)C2=O)ccc1-n1cnc(C)c1	ZINC000095579405	HJ	Annotated	Anodyne	
COc1cc(/C=C/c2nnc([C@@H](C)c3ccc(F)cc3)[nH]2)ccc1-n1cnc(C)c1	ZINC000095579960	HJ	Annotated	Anodyne	
COc1cc(/C=C/c2nnc([C@H](C)c3ccc(F)cc3)[nH]2)ccc1-n1cnc(C)c1	ZINC000095579961	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(OC)c2nc(-c3c(OC)cc(C#N)cc3OC)c(C)cc12	ZINC000095580656	HJ	Annotated	Mild	
C[n+]1c(C#CCOc2ccc(Cl)cc2)cccc1C#CCOc1ccc(Cl)cc1	ZINC000095580876	HJ	Annotated	Mild	
Cc1oc2c(C)c3oc(=O)c(CC(=O)Nc4ccc(C(=O)O)cc4)c(C)c3cc2c1C	ZINC000095581730	HJ	Annotated	Anodyne	
Cc1c(CC(=O)Nc2cccc(O)c2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4	ZINC000095581827	HJ	Annotated	Anodyne	
C[n+]1c(C#CCOc2cccc(Cl)c2)cccc1C#CCOc1cccc(Cl)c1	ZINC000095581882	HJ	Annotated	Mild	
COc1ccc(OCCCc2cccc(CCCOc3ccc(OC)cc3)[n+]2C)cc1	ZINC000095582141	HJ	Annotated	Anodyne	
CC(C)CCN1Cc2cc(I)ccc2N[C@@H](CC(C)C)C1=O	ZINC000095582288	HJ	Annotated	Anodyne	
N#Cc1cc(S(=O)(=O)Nc2ncco2)ccc1Oc1ccccc1-c1ccccc1	ZINC000095582358	HJ	Annotated	Mild	
CC(C)CCN1Cc2cc(-c3ccc(C(=O)O)cc3)c(N)cc2N[C@@H](CC(C)C)C1=O	ZINC000095582480	HJ	Annotated	Anodyne	
COc1cc(C(=O)c2nc(-c3ccccc3)cn2-c2cccs2)cc(OC)c1OC	ZINC000095582782	HJ	Annotated	Anodyne	
O=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(CC3CC3)cc2)c(Cl)c1	ZINC000095582891	HJ	Annotated	Anodyne	
C[n+]1c(C#CCOc2ccccc2Cl)cccc1C#CCOc1ccccc1Cl	ZINC000095582973	HJ	Annotated	Mild	
Cc1cc(-c2cc(F)c(O)c(F)c2)c(OCCO)c(-c2cc(F)c(O)c(F)c2)c1	ZINC000095582992	HJ	Annotated	Anodyne	
N#Cc1cc(S(=O)(=O)Nc2ccon2)ccc1Oc1ccccc1-c1ccccc1	ZINC000095583136	HJ	Annotated	Mild	
O=C(Nc1noc2ccccc12)N1CCN(c2cc(-c3ccccc3)cs2)CC1	ZINC000095583335	HJ	Annotated	Anodyne	
Cc1c(CC(=O)Nc2ccc(O)cc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4	ZINC000095583539	HJ	Annotated	Anodyne	
Cc1ccc(NC(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)cc1	ZINC000095583544	HJ	Annotated	Anodyne	
Cc1oc2c(C)c3oc(=O)c(CC(=O)Nc4cccc(C(=O)O)c4)c(C)c3cc2c1C	ZINC000095583617	HJ	Annotated	Anodyne	
CN1CCN(c2ccc(Oc3ccc(SNc4nccs4)cc3C#N)cc2)C1=O	ZINC000095583707	HJ	Annotated	Mild	
N#Cc1cc(S(=O)(=O)Nc2cnoc2)ccc1Oc1ccccc1-c1ccccc1	ZINC000095584993	HJ	Annotated	Mild	
COc1oc(=O)c2cc(NC(=O)OC34CC5CC(CC(C5)C3)C4)ccc2c1Cl	ZINC000095586183	HJ	Annotated	Anodyne	
FC(F)(F)c1ccc(COc2ccccc2/C=N/O[C@@H]2CN3CCC2CC3)cc1	ZINC000095586770	HJ	Annotated	Mild	
FC(F)(F)c1ccc(COc2ccccc2/C=N/O[C@H]2CN3CCC2CC3)cc1	ZINC000095586771	HJ	Annotated	Mild	
FC(F)(F)c1cccc(COc2ccccc2/C=N/O[C@@H]2CN3CCC2CC3)c1	ZINC000095587091	HJ	Annotated	Mild	
FC(F)(F)c1cccc(COc2ccccc2/C=N/O[C@H]2CN3CCC2CC3)c1	ZINC000095587092	HJ	Annotated	Mild	
CCCCCCSc1nc(-c2ccc(OC)cc2)c(C#N)c(N2CCOCC2)n1	ZINC000095587358	HJ	Annotated	Mild	
C[C@@H]1CCCC[C@@H]1Oc1cc(Cc2ccccc2)[nH]c(=O)c1I	ZINC000095587445	HJ	Annotated	Anodyne	
C[C@H]1CCCC[C@@H]1Oc1cc(Cc2ccccc2)[nH]c(=O)c1I	ZINC000095587446	HJ	Annotated	Anodyne	
C[C@@H]1CCCC[C@H]1Oc1cc(Cc2ccccc2)[nH]c(=O)c1I	ZINC000095587447	HJ	Annotated	Anodyne	
C[C@H]1CCCC[C@H]1Oc1cc(Cc2ccccc2)[nH]c(=O)c1I	ZINC000095587448	HJ	Annotated	Anodyne	
N#Cc1c(-c2ccc(Cl)cc2)nc(SCc2ccccc2)nc1N1CCOCC1	ZINC000095587494	HJ	Annotated	Mild	
CC(C)c1ccc(NC[C@H](O)COc2ccc3c(c2)OC2(CCCC2)CC3=O)cc1	ZINC000095587524	HJ	Annotated	Anodyne	
CC(C)c1ccc(NC[C@@H](O)COc2ccc3c(c2)OC2(CCCC2)CC3=O)cc1	ZINC000095587525	HJ	Annotated	Anodyne	
CCCCCCCCCCCCOC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OCO[C@H]21	ZINC000095588175	HJ	Annotated	Mild	
COc1cc2nc(Nc3ccc([C@@H](C)NC(C)=O)cc3)ncc2cc1-c1ccncc1	ZINC000095589205	HJ	Annotated	Anodyne	
COc1cc(OC)cc([C@@H]2C(=O)c3cc(OC)cc(OC)c3[C@H]2c2ccccc2)c1	ZINC000095589637	HJ	Annotated	Anodyne	
N#Cc1c(-c2cccc(Cl)c2)nc(SCc2ccccc2)nc1N1CCOCC1	ZINC000095589723	HJ	Annotated	Mild	
Nc1nc(Nc2ccc(F)c(C(F)(F)F)c2)c2cc(CCc3ccccn3)[nH]c2n1	ZINC000095589754	HJ	Annotated	Anodyne	
FC(F)(F)c1ccccc1COc1ccccc1/C=N/O[C@@H]1CN2CCC1CC2	ZINC000095589905	HJ	Annotated	Mild	
FC(F)(F)c1ccccc1COc1ccccc1/C=N/O[C@H]1CN2CCC1CC2	ZINC000095589906	HJ	Annotated	Mild	
CCOC(=O)C1=C(C)N/C(=C/c2ccc(-c3ccccc3C(F)(F)F)cc2)C1=O	ZINC000095589973	HJ	Annotated	Mild	
FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)nc(N2CCCC2)c1	ZINC000095590042	HJ	Annotated	Anodyne	
C[C@@]12CC[C@H]3[C@](C)(C1=CC[C@H]2c1ccoc1)[C@H](O)[C@@H]1OC[C@]2(C)CC[C@H](O)[C@@]3(C)[C@@H]12	ZINC000095590381	HJ	Annotated	Anodyne	 
C[C@@]12CC[C@H]3[C@](C)(C1=CC[C@H]2c1ccoc1)[C@H](O)[C@@H]1OC[C@]2(C)CC[C@@H](O)[C@@]3(C)[C@@H]12	ZINC000095590382	HJ	Annotated	Anodyne	 
CCCCCCCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O	ZINC000095590732	HJ	Annotated	Mild	
CCCCCCCCCC[S@@](=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O	ZINC000095590843	HJ	Annotated	Mild	
CCCCCCCCCC[S@](=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O	ZINC000095590844	HJ	Annotated	Mild	
CC(C)c1ccccc1NC[C@H](O)COc1ccc2c(c1)OC1(CCCC1)CC2=O	ZINC000095591005	HJ	Annotated	Anodyne	
CC(C)c1ccccc1NC[C@@H](O)COc1ccc2c(c1)OC1(CCCC1)CC2=O	ZINC000095591006	HJ	Annotated	Anodyne	
O=C(C[n+]1ccn([C@@H](c2ccccc2)c2cc3ccccc3o2)c1)c1ccc(O)cc1	ZINC000095591337	HJ	Annotated	Mild	
O=C(C[n+]1ccn([C@H](c2ccccc2)c2cc3ccccc3o2)c1)c1ccc(O)cc1	ZINC000095591338	HJ	Annotated	Mild	
CCOC(=O)C1=C(C)N/C(=C/c2cccc(-c3ccccc3C(F)(F)F)c2)C1=O	ZINC000095591860	HJ	Annotated	Mild	
COc1cc(OC)cc([C@@H]2[C@@H](O)c3cc(OC)cc(OC)c3[C@H]2c2ccccc2)c1	ZINC000095592162	HJ	Annotated	Anodyne	
COc1cc(OC)cc([C@@H]2[C@H](O)c3cc(OC)cc(OC)c3[C@H]2c2ccccc2)c1	ZINC000095592163	HJ	Annotated	Anodyne	
COc1ccc2c(c1Br)OCCC=C2c1cc(OC)c(OC)c(OC)c1	ZINC000095592387	HJ	Annotated	Anodyne	
Cc1ccc(-c2nc3cc4c5c(cccc5c3s2)C(=O)N(CCN(C)C)C4=O)cc1	ZINC000095592592	HJ	Annotated	Anodyne	
CCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000095592932	HJ	Annotated	Clean	
COc1ccc(Oc2c(Cl)cnn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1	ZINC000095593058	HJ	Annotated	Anodyne	
CC/C(=C\C=C\[C@H]1[C@@H](C)C=C[C@H]2C[C@@H](C)[C@H](O)[C@@H](C)[C@@H]21)C(=O)NCc1cccnc1	ZINC000095594073	HJ	Annotated	Anodyne	
N#Cc1cccc(-c2ncccc2CNP(=O)(c2ccccc2)c2ccccc2)c1	ZINC000095594198	HJ	Annotated	Reactive	
O=C(NCCF)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2	ZINC000095594392	HJ	Annotated	Anodyne	
CC(C)(C)NC(=O)[C@H](c1c[nH]cn1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1	ZINC000095594881	HJ	Annotated	Anodyne	
CC(C)(C)NC(=O)[C@@H](c1c[nH]cn1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1	ZINC000095594882	HJ	Annotated	Anodyne	
CC(C)(C)NC(=O)[C@H](c1cc[nH]n1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1	ZINC000095595916	HJ	Annotated	Anodyne	
CC(C)(C)NC(=O)[C@@H](c1cc[nH]n1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1	ZINC000095595917	HJ	Annotated	Anodyne	
O=c1c(Oc2ccc3c(c2)CCO3)c(Cl)cnn1Cc1cccc2ccccc12	ZINC000095596086	HJ	Annotated	Anodyne	
N#Cc1c(N)nc2sc(C(=O)c3cccc(Cl)c3)c(N)c2c1-c1cccs1	ZINC000095596222	HJ	Annotated	Mild	
CCOc1ccc2c(c1)Oc1ncn3nc(CC#N)nc3c1[C@@H]2c1ccc(Cl)cc1	ZINC000095596386	HJ	Annotated	Mild	
CCOc1ccc2c(c1)Oc1ncn3nc(CC#N)nc3c1[C@H]2c1ccc(Cl)cc1	ZINC000095596387	HJ	Annotated	Mild	
CC(C)(C)NC(=O)[C@H](c1cn[nH]c1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1	ZINC000095597671	HJ	Annotated	Anodyne	
CC(C)(C)NC(=O)[C@@H](c1cn[nH]c1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1	ZINC000095597673	HJ	Annotated	Anodyne	
CCc1ccc(CNc2cnc3c(c2)ncn3-c2ccc(OCCN(C)C)cc2)cc1	ZINC000095597716	HJ	Annotated	Anodyne	
CCOc1ccc(-n2c(C(=O)O)nc3cc(NCc4ccc(CC)cc4)cnc32)cc1	ZINC000095597945	HJ	Annotated	Anodyne	
COc1ccc(Oc2c(Cl)cnn(Cc3c(OC)ccc4ccccc34)c2=O)cc1	ZINC000095598091	HJ	Annotated	Anodyne	
CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCCC2)[C@@H]1CO	ZINC000095599295	HJ	Annotated	Anodyne	
CN1OC[C@@H]2CN(C(=O)Nc3ccccc3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21	ZINC000095599546	HJ	Annotated	Clean	 
O=C(Cc1ccccc1)N1CC[C@@H]2[C@H]1c1cc(C3=CCCCC3)ccc1N[C@H]2CO	ZINC000095599555	HJ	Annotated	Anodyne	
O=C(OCc1ccccc1)N1Cc2ccnnc2C[C@@H]1c1ccccc1Br	ZINC000095599810	HJ	Annotated	Anodyne	 
O=C(OCc1ccccc1)N1Cc2ccnnc2C[C@H]1c1ccccc1Br	ZINC000095599811	HJ	Annotated	Anodyne	 
CSCC[C@@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2ccco2)nc2ccccc21	ZINC000095600108	HJ	Annotated	Anodyne	 
CSCC[C@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2ccco2)nc2ccccc21	ZINC000095600109	HJ	Annotated	Anodyne	 
CC1(C)OC(=O)C2=C(C[C@@H](CCOCc3ccccc3)O[C@@H]2c2ccc(F)cc2)O1	ZINC000095600709	HJ	Annotated	Anodyne	 
O=c1c(-c2ccco2)nc2ccccc2n1[C@H](c1ccccn1)c1nc2ccccc2[nH]1	ZINC000095600744	HJ	Annotated	Anodyne	 
O=c1c(-c2ccco2)nc2ccccc2n1[C@@H](c1ccccn1)c1nc2ccccc2[nH]1	ZINC000095600745	HJ	Annotated	Anodyne	 
N#Cc1ccc(-c2scc3c2C(=O)OC32CCN(Cc3ccccc3)CC2)cc1	ZINC000095601138	HJ	Annotated	Mild	
CCCc1ccc(OCC(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1	ZINC000095601475	HJ	Annotated	Anodyne	
CC[C@@H](C(=O)O)N1Cc2sc(-c3ccc(-c4cccs4)cc3)cc2S1(=O)=O	ZINC000095601572	HJ	Annotated	Anodyne	
CC[C@H](C(=O)O)N1Cc2sc(-c3ccc(-c4cccs4)cc3)cc2S1(=O)=O	ZINC000095601573	HJ	Annotated	Anodyne	
CN1c2ccc(C3=CCCCC3)cc2[C@H]2[C@H](CCN2C(=O)NC2CCCCC2)[C@@H]1CO	ZINC000095601708	HJ	Annotated	Clean	
CC[C@@H](C(=O)O)N1Cc2sc(-c3ccc(-c4ccsc4)cc3)cc2S1(=O)=O	ZINC000095601850	HJ	Annotated	Anodyne	
CC[C@H](C(=O)O)N1Cc2sc(-c3ccc(-c4ccsc4)cc3)cc2S1(=O)=O	ZINC000095601851	HJ	Annotated	Anodyne	
O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3ccc2n1Cc1cc(F)ccc1F	ZINC000095602632	HJ	Annotated	Anodyne	
O=C(O)c1c(-c2ccc[nH]c2=O)c2c3ccoc3ccc2n1Cc1cc(F)ccc1F	ZINC000095603321	HJ	Annotated	Anodyne	
CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)NC2CCCCC2)[C@@H]1CO	ZINC000095604309	HJ	Annotated	Anodyne	
OC[C@@H](Nc1ncnc2oc(-c3ccccc3)c(Br)c12)c1ccccc1	ZINC000095605018	HJ	Annotated	Anodyne	
O=C(c1ccccc1F)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21	ZINC000095605108	HJ	Annotated	Anodyne	
O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1cc(F)ccc1F)CCC3	ZINC000095605233	HJ	Annotated	Anodyne	
O=C(Cc1ccccc1)N(C(=O)Cc1ccccc1)c1nnc(Cl)c2ccccc12	ZINC000095605276	HJ	Annotated	Anodyne	
CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=C[C@H]1O	ZINC000095619956	HJ	Annotated	Anodyne	in-man endogenous
CC(C)[C@@H]1C(=O)N[C@H](c2ccccc2)C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N1C	ZINC000095660951	HJ	Annotated	Anodyne	
CC(C)[C@H]1C(=O)N[C@H](c2ccccc2)C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N1C	ZINC000095662935	HJ	Annotated	Anodyne	
CC(C)[C@H]1C(=O)N[C@H](c2ccccc2)C/C=C/C[C@H](C)Oc2ccccc2C(=O)N1C	ZINC000095663829	HJ	Annotated	Anodyne	
CC(C)[C@H]1C(=O)N[C@@H](c2ccccc2)C/C=C/C[C@H](C)Oc2ccccc2C(=O)N1C	ZINC000095664480	HJ	Annotated	Anodyne	
O=C1Nc2ccccc2OCc2cn(nn2)CC[C@H]1Cc1ccc(-c2ccccc2)cc1	ZINC000095664576	HJ	Annotated	Anodyne	
CCc1nc(N2[C@H](CO)[C@@H](c3ccccc3-c3ccc(F)cc3)[C@@H]2C#N)sc1C	ZINC000095664648	HJ	Annotated	Mild	
CC(C)[C@@H]1C(=O)N[C@@H](c2ccccc2)C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N1C	ZINC000095664698	HJ	Annotated	Anodyne	
CC(C)[C@@H]1C(=O)N[C@@H](c2ccccc2)C/C=C/C[C@H](C)Oc2ccccc2C(=O)N1C	ZINC000095664936	HJ	Annotated	Anodyne	
O=C(c1ccccc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#CC4CCCCC4)cc3[C@H]21	ZINC000095667169	HJ	Annotated	Mild	
CCc1sc(N2[C@@H](C#N)[C@@H](c3ccccc3-c3cccc(C)c3)[C@@H]2CO)nc1C	ZINC000095667634	HJ	Annotated	Mild	
CCc1sc(N2[C@H](C#N)[C@H](c3ccccc3-c3cccc(C)c3)[C@H]2CO)nc1C	ZINC000095667637	HJ	Annotated	Mild	
COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2Cc2ccccc2F)[C@H](CO)N3)cc1	ZINC000095667693	HJ	Annotated	Anodyne	
COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1Cc1ccccc1F)[C@@H](CO)N2	ZINC000095667832	HJ	Annotated	Anodyne	
CCc1sc(N2[C@H](C#N)[C@@H](c3ccccc3-c3ccc(F)cc3)[C@@H]2CO)nc1C	ZINC000095668080	HJ	Annotated	Mild	
CCc1sc(N2[C@H](C#N)[C@H](c3ccccc3-c3ccc(F)cc3)[C@@H]2CO)nc1C	ZINC000095668089	HJ	Annotated	Mild	
O=C(c1ccccc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#CC4CCCCC4)cc3[C@@H]21	ZINC000095668180	HJ	Annotated	Mild	
CCc1sc(N2[C@H](C#N)[C@H](c3ccccc3-c3ccc(F)cc3)[C@H]2CO)nc1C	ZINC000095668250	HJ	Annotated	Mild	
CCc1sc(N2[C@@H](C#N)[C@@H](c3ccccc3-c3ccc(F)cc3)[C@@H]2CO)nc1C	ZINC000095668258	HJ	Annotated	Mild	
CCc1nc(N2[C@H](C#N)[C@@H](c3ccccc3-c3ccccc3F)[C@@H]2CO)sc1C	ZINC000095668442	HJ	Annotated	Mild	
CCc1nc(N2[C@H](C#N)[C@H](c3ccccc3-c3ccccc3F)[C@@H]2CO)sc1C	ZINC000095668449	HJ	Annotated	Mild	
CCc1nc(N2[C@H](C#N)[C@H](c3ccccc3-c3ccccc3F)[C@H]2CO)sc1C	ZINC000095668559	HJ	Annotated	Mild	
CCc1nc(N2[C@@H](C#N)[C@H](c3ccccc3-c3ccccc3F)[C@@H]2CO)sc1C	ZINC000095668563	HJ	Annotated	Mild	
CCc1nc(N2[C@H](CO)[C@H](c3ccccc3-c3ccccc3F)[C@@H]2C#N)sc1C	ZINC000095668567	HJ	Annotated	Mild	
CCc1nc(N2[C@H](CO)[C@@H](c3ccccc3-c3ccccc3F)[C@@H]2C#N)sc1C	ZINC000095668575	HJ	Annotated	Mild	
O=C(N[C@@H](C(=O)O)c1cccc(F)c1F)OCC1c2ccccc2-c2ccccc21	ZINC000095748964	HJ	Annotated	Anodyne	 
O=C(N[C@H](C(=O)O)c1cccc(F)c1F)OCC1c2ccccc2-c2ccccc21	ZINC000095748965	HJ	Annotated	Anodyne	 
O=C(N[C@@H](C(=O)O)c1cc(F)ccc1F)OCC1c2ccccc2-c2ccccc21	ZINC000095748966	HJ	Annotated	Anodyne	 
O=C(N[C@H](C(=O)O)c1cc(F)ccc1F)OCC1c2ccccc2-c2ccccc21	ZINC000095748967	HJ	Annotated	Anodyne	 
O=C(N[C@@H](C(=O)O)c1ccc(F)c(F)c1)OCC1c2ccccc2-c2ccccc21	ZINC000095748968	HJ	Annotated	Anodyne	 
O=C(N[C@H](C(=O)O)c1ccc(F)c(F)c1)OCC1c2ccccc2-c2ccccc21	ZINC000095748969	HJ	Annotated	Anodyne	 
O=C(N[C@@H](C(=O)O)c1cc(F)cc(F)c1)OCC1c2ccccc2-c2ccccc21	ZINC000095748970	HJ	Annotated	Anodyne	 
O=C(N[C@H](C(=O)O)c1cc(F)cc(F)c1)OCC1c2ccccc2-c2ccccc21	ZINC000095748971	HJ	Annotated	Anodyne	 
O=C(NC[C@H](Cc1ccccc1F)C(=O)O)OCC1c2ccccc2-c2ccccc21	ZINC000095749320	HJ	Annotated	Anodyne	 
O=C(NC[C@@H](Cc1ccccc1F)C(=O)O)OCC1c2ccccc2-c2ccccc21	ZINC000095749321	HJ	Annotated	Anodyne	 
CC(C)(C)[C@@H]1C=C(C(=O)N2CCCCCCC2)O[C@H](OCc2ccc(CO)cc2)C1	ZINC000095783803	HJ	Annotated	Anodyne	
CCc1nc(N2[C@@H](C#N)[C@H](c3ccccc3-c3ccccc3C)[C@@H]2CO)sc1C	ZINC000095795524	HJ	Annotated	Mild	
CCc1nc(N2[C@H](C#N)[C@@H](c3ccccc3-c3ccccc3C)[C@@H]2CO)sc1C	ZINC000095795560	HJ	Annotated	Mild	
CN1c2ccc(C3=CCCCC3)cc2[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@@H]1CO	ZINC000095795568	HJ	Annotated	Clean	
CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@H]1CO	ZINC000095797594	HJ	Annotated	Clean	
CCc1nc(N2[C@@H](C#N)[C@@H](c3ccccc3-c3ccc(F)cc3)[C@@H]2CO)sc1C	ZINC000095797627	HJ	Annotated	Mild	
CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@@H]1CO	ZINC000095797652	HJ	Annotated	Clean	
CCc1nc(N2[C@H](C#N)[C@H](c3ccccc3-c3ccccc3C)[C@H]2CO)sc1C	ZINC000095797785	HJ	Annotated	Mild	
CCc1nc(N2[C@@H](C#N)[C@@H](c3ccccc3-c3ccccc3C)[C@@H]2CO)sc1C	ZINC000095797788	HJ	Annotated	Mild	
CC(C)(C)[C@H]1C=C(C(=O)N2CCCCCCC2)O[C@@H](OCc2ccc(CO)cc2)C1	ZINC000095798296	HJ	Annotated	Anodyne	
COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@H](CO)N3)c1	ZINC000095798421	HJ	Annotated	Anodyne	
CCc1sc(N2[C@@H](C#N)[C@@H](c3ccccc3-c3cccc(F)c3)[C@@H]2CO)nc1C	ZINC000095798536	HJ	Annotated	Mild	
CC1(C)[C@H]2CC=C(/C=N\NC(=O)CCCCCCC(=O)Nc3ccccc3O)[C@@H]1C2	ZINC000095808881	HJ	Annotated	Reactive	
COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@@H](CO)N3)c1	ZINC000095864518	HJ	Annotated	Anodyne	
COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@@H](CO)N3)c1	ZINC000095866666	HJ	Annotated	Anodyne	
CCc1nc(N2[C@H](CO)[C@H](c3ccccc3-c3ccccc3C)[C@@H]2C#N)sc1C	ZINC000095869162	HJ	Annotated	Mild	
CCc1nc(N2[C@H](C#N)[C@@H](c3ccccc3-c3ccc(F)cc3)[C@@H]2CO)sc1C	ZINC000095869176	HJ	Annotated	Mild	
CN1c2ccc(C3=CCCCC3)cc2[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@H]1CO	ZINC000095869220	HJ	Annotated	Clean	
CCc1sc(N2[C@H](C#N)[C@H](c3ccccc3-c3cccc(F)c3)[C@H]2CO)nc1C	ZINC000095869324	HJ	Annotated	Mild	
CCc1nc(N2[C@H](C#N)[C@@H](c3ccccc3-c3ccc(F)cc3)[C@H]2CO)sc1C	ZINC000095869337	HJ	Annotated	Mild	
CCc1nc(N2[C@H](CO)[C@H](c3ccccc3-c3ccc(F)cc3)[C@@H]2C#N)sc1C	ZINC000095869380	HJ	Annotated	Mild	
N#C[C@H]1[C@@H](c2ccccc2/C=C/c2ccccc2)[C@@H](CO)N1C(=O)Nc1ccccc1	ZINC000095869419	HJ	Annotated	Mild	
CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCCC2)[C@H]1CO	ZINC000095869428	HJ	Annotated	Anodyne	
CCc1nc(N2[C@@H](C#N)[C@H](c3ccccc3-c3ccc(F)cc3)[C@@H]2CO)sc1C	ZINC000095869433	HJ	Annotated	Mild	
COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@H](CO)N3)c1	ZINC000095869453	HJ	Annotated	Anodyne	
CCc1nc(N2[C@H](C#N)[C@@H](c3ccccc3-c3ccccc3C)[C@H]2CO)sc1C	ZINC000095869487	HJ	Annotated	Mild	
N#C[C@@H]1[C@H](c2ccccc2C2=CCCCC2)[C@H](CO)N1C(=O)Nc1ccccc1F	ZINC000095871653	HJ	Annotated	Mild	
CCCN1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@H]1CN(C(C)=O)C1CCCC1	ZINC000095872067	HJ	Annotated	Anodyne	
N#C[C@H]1[C@@H](c2ccccc2C2=CCCCC2)[C@@H](CO)N1C(=O)Nc1ccccc1F	ZINC000095872089	HJ	Annotated	Mild	
OC[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN12	ZINC000095874537	HJ	Annotated	Anodyne	
OC[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN21	ZINC000095874538	HJ	Annotated	Anodyne	
OC[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN12	ZINC000095874539	HJ	Annotated	Anodyne	
OC[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12	ZINC000095874540	HJ	Annotated	Anodyne	
OC[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12	ZINC000095874541	HJ	Annotated	Anodyne	
OC[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN21	ZINC000095874542	HJ	Annotated	Anodyne	
OC[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12	ZINC000095874543	HJ	Annotated	Anodyne	
OC[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12	ZINC000095874544	HJ	Annotated	Anodyne	
OC[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12	ZINC000095875685	HJ	Annotated	Anodyne	
CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)c2ccc(F)cc2)[C@H]1CO	ZINC000095877354	HJ	Annotated	Anodyne	
CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccc(F)cc2)[C@@H]1CO	ZINC000095877355	HJ	Annotated	Anodyne	
CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)c2cccc(F)c2)[C@H]1CO	ZINC000095877437	HJ	Annotated	Anodyne	
CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)[C@@H]1CO	ZINC000095877438	HJ	Annotated	Anodyne	
CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)c2cccc(F)c2)[C@@H]1CO	ZINC000095877439	HJ	Annotated	Anodyne	
O=C(c1cccc(F)c1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21	ZINC000095877452	HJ	Annotated	Anodyne	
O=C(c1cccc(F)c1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21	ZINC000095877453	HJ	Annotated	Anodyne	
O=C(c1cccc(F)c1)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO	ZINC000095877454	HJ	Annotated	Anodyne	
O=C(c1cccc(F)c1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21	ZINC000095877455	HJ	Annotated	Anodyne	
CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@@H]1CO	ZINC000095877549	HJ	Annotated	Anodyne	
OC[C@@H]1Nc2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1	ZINC000095877643	HJ	Annotated	Anodyne	
OC[C@H]1Nc2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1	ZINC000095877644	HJ	Annotated	Anodyne	
OC[C@@H]1Nc2ccc(-c3cccc(F)c3)cc2[C@H]2[C@@H]1CCN2Cc1ccc(F)cc1	ZINC000095877645	HJ	Annotated	Anodyne	
OC[C@H]1Nc2ccc(-c3cccc(F)c3)cc2[C@H]2[C@@H]1CCN2Cc1ccc(F)cc1	ZINC000095877646	HJ	Annotated	Anodyne	
O=C(c1ccccc1F)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO	ZINC000095877650	HJ	Annotated	Anodyne	
O=C(c1ccccc1F)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21	ZINC000095877651	HJ	Annotated	Anodyne	
O=C(c1ccccc1F)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21	ZINC000095877652	HJ	Annotated	Anodyne	
O=C(c1ccccc1F)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21	ZINC000095877653	HJ	Annotated	Anodyne	
O=C(c1ccc(F)cc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@H]21	ZINC000095877937	HJ	Annotated	Anodyne	
O=C(c1ccc(F)cc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21	ZINC000095877938	HJ	Annotated	Anodyne	
O=C(c1ccc(F)cc1)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3F)ccc1N[C@H]2CO	ZINC000095877940	HJ	Annotated	Anodyne	
O=C(c1ccc(F)cc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21	ZINC000095877942	HJ	Annotated	Anodyne	
O=C(c1cccc(F)c1)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N[C@H]2CO	ZINC000095878106	HJ	Annotated	Anodyne	
O=C(c1ccccc1F)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N[C@H]2CO	ZINC000095878282	HJ	Annotated	Anodyne	
O=C(c1ccccc1F)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21	ZINC000095878283	HJ	Annotated	Anodyne	
O=C(c1ccccc1F)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21	ZINC000095878284	HJ	Annotated	Anodyne	
CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCCC2)[C@H]1CO	ZINC000095878409	HJ	Annotated	Clean	
O=C(c1ccc(F)cc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C4=CCCCC4)cc3[C@H]21	ZINC000095878450	HJ	Annotated	Anodyne	
CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@@H]1CO	ZINC000095878528	HJ	Annotated	Clean	
OC[C@@H]1Nc2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1	ZINC000095878529	HJ	Annotated	Anodyne	
OC[C@H]1Nc2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1	ZINC000095878530	HJ	Annotated	Anodyne	
OC[C@@H]1Nc2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@@H]1CCN2Cc1ccc(F)cc1	ZINC000095878531	HJ	Annotated	Anodyne	
OC[C@H]1Nc2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@@H]1CCN2Cc1ccc(F)cc1	ZINC000095878532	HJ	Annotated	Anodyne	
COc1ccccc1CN1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21	ZINC000095878559	HJ	Annotated	Anodyne	
COc1ccccc1CN1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N[C@H]2CO	ZINC000095878560	HJ	Annotated	Anodyne	
COc1ccccc1CN1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21	ZINC000095878561	HJ	Annotated	Anodyne	
COc1ccccc1CN1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21	ZINC000095878562	HJ	Annotated	Anodyne	
O=C(Cc1ccccc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C4=CCCCC4)cc3[C@@H]21	ZINC000095878692	HJ	Annotated	Anodyne	
O=C(c1cccc(F)c1)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3F)ccc1N[C@H]2CO	ZINC000095878864	HJ	Annotated	Anodyne	
O=C(c1cccc(F)c1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@H]21	ZINC000095878865	HJ	Annotated	Anodyne	
O=C(c1cccc(F)c1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21	ZINC000095878866	HJ	Annotated	Anodyne	
O=C(c1cccc(F)c1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21	ZINC000095878867	HJ	Annotated	Anodyne	
O=C(C1CCCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl	ZINC000095893313	HJ	Annotated	Anodyne	
O=C(C1CCCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl	ZINC000095893314	HJ	Annotated	Anodyne	
O=C(C1CCCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl	ZINC000095893315	HJ	Annotated	Anodyne	
O=C(C1CCCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl	ZINC000095893316	HJ	Annotated	Anodyne	
N#C[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)Nc1ccccc1F	ZINC000095896085	HJ	Annotated	Mild	
N#C[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)Nc1ccccc1F	ZINC000095896086	HJ	Annotated	Mild	
N#C[C@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@@H](CO)N1C(=O)C1CCCCC1	ZINC000095897577	HJ	Annotated	Mild	
N#C[C@@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@@H](CO)N1C(=O)C1CCCCC1	ZINC000095897578	HJ	Annotated	Mild	
C/C=C(/C)C(=O)O[C@@H]1C=C(C)[C@H](OC(C)=O)C[C@H]1[C@@H](C)C[C@@H](C=C(C)C)OC(C)=O	ZINC000095908896	HJ	Annotated	Anodyne	in-vitro biogenic
C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@H](OC(C)=O)C[C@H]1[C@@H](C)C[C@@H](C=C(C)C)OC(C)=O	ZINC000095908897	HJ	Annotated	Anodyne	in-vitro biogenic
C=CC1=C(C)[C@@H]2C[C@@H](O)[C@@H]3[C@](C)(C(=O)O)[C@H](OC(=O)CC(C)C)CC[C@]3(C)[C@H]2CC1	ZINC000095909944	HJ	Annotated	Anodyne	in-vitro biogenic
CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]1C[C@@H](OC(C)=O)C1=C[C@@]3(C(C)C)CC[C@]12OO3	ZINC000095910453	HJ	Annotated	Reactive	in-vitro biogenic
C[C@@H]1CC[C@H]2[C@H](C)C3=C(CN2C1)[C@@H]1C[C@@H]2[C@@H](C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]42C)[C@@H]1CC3	ZINC000095910846	HJ	Annotated	Anodyne	in-vitro biogenic
C[C@@H]1CC[C@@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000095910848	HJ	Annotated	Anodyne	in-vitro biogenic
C[C@@H]1CC[C@H]2[C@H](C)C3=C(CN2C1)[C@@H]1C[C@@H]2[C@@H](CC(=O)[C@H]4C[C@@H](O)CC[C@@]42C)[C@@H]1CC3	ZINC000095910849	HJ	Annotated	Anodyne	in-vitro biogenic
CC(=O)C[C@H]1C(=O)[C@@H]2COC(C)(C)[C@@H]3CC[C@@](C)(C[C@H]23)[C@H]1/C=C/OC(=O)C=C(C)C	ZINC000095911272	HJ	Annotated	Anodyne	in-vitro biogenic
C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1	ZINC000095911526	HJ	Annotated	Anodyne	in-vitro biogenic
C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@H]4[C@@H]3CN2C1	ZINC000095911928	HJ	Annotated	Anodyne	in-vitro biogenic
C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@H]4[C@@H]3CN2C1	ZINC000095911929	HJ	Annotated	Anodyne	in-vitro biogenic
C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6CC(=O)CC[C@]6(C)[C@@H]5C[C@H]4[C@@H]3CN2C1	ZINC000095911931	HJ	Annotated	Anodyne	in-vitro biogenic
CC(C)=C[C@@H](C)C/C=C/Cc1c(O)cc2c(c1O)C(=O)[C@@H](c1ccc(O)cc1O)CO2	ZINC000095912799	HJ	Annotated	Anodyne	in-vitro biogenic
COc1cc([C@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@@H]2C)cc(OC)c1OC	ZINC000095913633	HJ	Annotated	Anodyne	in-vitro biogenic
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H]1O[C@H]2[C@H](C)[C@@H]1C	ZINC000095913854	HJ	Annotated	Anodyne	in-vitro biogenic
C[C@@H]1O[C@H](C=C=CBr)/C=C/[C@H](Cl)CC2=CC[C@H](Br)[C@@H]1O2	ZINC000095913957	HJ	Annotated	Reactive	in-vitro biogenic
C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@H]3CN2C1	ZINC000095914286	HJ	Annotated	Anodyne	in-vitro biogenic
C=C(C)[C@@H](O)CC/C(C)=C/Cc1c(O)ccc(C(=O)/C=C\c2ccc(O)c(O)c2)c1O	ZINC000095918984	HJ	Annotated	Mild	in-vitro biogenic
C[C@H]1CC[C@@H]2[C@@H](C)[C@@H]3CC[C@@H]4[C@H](C[C@H]5[C@H]4C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]54C)[C@@H]3CN2C1	ZINC000095919066	HJ	Annotated	Anodyne	in-vitro biogenic
C=C(C)[C@H](O)CC/C(C)=C/Cc1c(O)ccc(C(=O)/C=C\c2ccc(O)cc2)c1O	ZINC000095919156	HJ	Annotated	Mild	in-vitro biogenic
C=C(CCC=C(C)C)[C@H](O)Cc1c(O)ccc(C(=O)/C=C\c2ccc(O)cc2)c1O	ZINC000095919158	HJ	Annotated	Mild	in-vitro biogenic
CCC/C=C1/OC(=O)C2=C1CC[C@@H]1[C@H]3C=C(C(=O)OC)[C@](C(=O)CCCC)(CC3)[C@H]21	ZINC000095919393	HJ	Annotated	Anodyne	in-vitro biogenic
C[C@@H]1CC[C@@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@H]3CN2C1	ZINC000095919489	HJ	Annotated	Anodyne	in-vitro biogenic
CCCc1cscc1C[C@H](NC1=NC(C)(C)Cc2cc(Cl)ccc21)C(=O)O	ZINC000095921212	HJ	Annotated	Anodyne	
O=C(NCc1ccccc1)OCCN1C(=O)CCC12CCC(c1ccccc1)CC2	ZINC000096019314	HJ	Annotated	Anodyne	 
O=C(Nc1ccc(Br)cc1)OCCCN1CCC2(CCCCC2)C1=O	ZINC000096019362	HJ	Annotated	Anodyne	 
CCCCCCCCNS(=O)(=O)/C=C/c1ccccc1CNC(=O)OC(C)(C)C	ZINC000096020298	HJ	Annotated	Mild	 
CC(C)C[C@H]1COc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1F	ZINC000096021243	HJ	Annotated	Anodyne	 
C[C@@]12C=C(Cl)C(=O)[C@H]1C1=C(CC2)[C@]2(CCl)C(=CC1=O)C=C[C@H](Cl)[C@H]2Cl	ZINC000096085377	HJ	Annotated	Anodyne	in-vitro
COc1ccc(CN2CC(O)=C(SCc3cccc(C(F)(F)F)c3)C2=O)cc1	ZINC000096142700	HJ	Annotated	Anodyne	
C[C@H](O[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1)c1ccccc1	ZINC000096168526	HJ	Annotated	Anodyne	
C[C@@H](O[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1)c1ccccc1	ZINC000096168527	HJ	Annotated	Anodyne	
Cc1cc(-c2cccnc2OC2CCN(C(=O)c3ccc4ccccc4n3)CC2)ccn1	ZINC000096168937	HJ	Annotated	Anodyne	
Cc1cc(-c2cccnc2OC2CCN(C(=O)c3nccc4ccccc34)CC2)ccn1	ZINC000096168938	HJ	Annotated	Anodyne	
C/C(=N\Nc1ccccc1)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1	ZINC000096169112	HJ	Annotated	Mild	
CC(C)Oc1ccccc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12	ZINC000096169804	HJ	Annotated	Anodyne	
O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cc(F)cc(F)c1	ZINC000096170149	HJ	Annotated	Anodyne	
O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cccc(F)c1F	ZINC000096170150	HJ	Annotated	Anodyne	
CC[C@@H](C)Sc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br	ZINC000096170626	HJ	Annotated	Anodyne	
COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@H]1COCC[C@H]1N1CCCC1	ZINC000096170633	HJ	Annotated	Anodyne	
COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@H]1COCC[C@H]1NC1CCC1	ZINC000096170634	HJ	Annotated	Anodyne	
COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@H]1COCC[C@@H]1N1CCCC1	ZINC000096170635	HJ	Annotated	Anodyne	
COc1cc(C(F)(F)F)cc(C2CC2)c1C(=O)C[C@@H]1COCC[C@H]1N1CCCC1	ZINC000096170656	HJ	Annotated	Anodyne	
COc1cc(C(F)(F)F)cc(C2CC2)c1C(=O)C[C@H]1COCC[C@@H]1N1CCCC1	ZINC000096172021	HJ	Annotated	Anodyne	
COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@H]1CCOC[C@H]1N1CCCC1	ZINC000096172022	HJ	Annotated	Anodyne	
COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@@H]1CCOC[C@@H]1N1CCCC1	ZINC000096172023	HJ	Annotated	Anodyne	
COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@H]1COCC[C@@H]1NC1CCC1	ZINC000096172026	HJ	Annotated	Anodyne	
COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@@H]1COCC[C@H]1N1CCCC1	ZINC000096172027	HJ	Annotated	Anodyne	
CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc4c(c3)OCC(C)(C)CO4)C2)cc1	ZINC000096172852	HJ	Annotated	Clean	
CC(=O)C[C@@H](C)c1ccc(OC2CN(c3c(F)cc(OC4CC4)cc3F)C2)cc1	ZINC000096172878	HJ	Annotated	Clean	
CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(OC4CCC4)cc3C#N)C2)cc1	ZINC000096172879	HJ	Annotated	Mild	
CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(OCC4CC4)cc3C#N)C2)cc1	ZINC000096172880	HJ	Annotated	Mild	
COc1ccc(-c2cnc(N3CC(Oc4ccc([C@@H](C)CC(C)=O)cc4)C3)nc2)cc1	ZINC000096172913	HJ	Annotated	Anodyne	
COc1ccc(-c2cnc(N3CC(Oc4ccc([C@H](C)CC(C)=O)cc4)C3)nc2)cc1	ZINC000096172914	HJ	Annotated	Anodyne	
CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc(-c4ccc(F)cc4)cn3)C2)cc1	ZINC000096172965	HJ	Annotated	Anodyne	
CCCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)CF)cc3)C2)c(OC)c1	ZINC000096172973	HJ	Annotated	Clean	
CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)C4(C#N)CC4)cc3)C2)cc1	ZINC000096172983	HJ	Annotated	Mild	
CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4ccnnc4)cc3)C2)cc1	ZINC000096172985	HJ	Annotated	Clean	
CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4ccno4)cc3)C2)cc1	ZINC000096173002	HJ	Annotated	Clean	
CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4cnco4)cc3)C2)cc1	ZINC000096173004	HJ	Annotated	Clean	
CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)C(C)(C)OC)cc3)C2)cc1	ZINC000096173007	HJ	Annotated	Clean	
CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)C4CC(OC)C4)cc3)C2)cc1	ZINC000096173015	HJ	Annotated	Clean	
Cc1ccc(C)c(CN2C(=O)CCCC23CCN(c2cnc4ccccc4n2)CC3)c1	ZINC000096173079	HJ	Annotated	Anodyne	
O=C1CCCC2(CCN(c3nc4ccccc4o3)CC2)N1Cc1cccc2[nH]ccc12	ZINC000096173080	HJ	Annotated	Anodyne	
O=C1CCCC2(CCN(c3nc4ccccc4[nH]3)CC2)N1Cc1cccc2[nH]ccc12	ZINC000096173176	HJ	Annotated	Anodyne	
Cc1ccc(Cc2cnc(-c3cccc(C(=O)N4CCCC4)c3)c(C)c2)c(C(=O)O)c1	ZINC000096173375	HJ	Annotated	Anodyne	
Cc1nc(C(F)(F)F)c(C(=O)Cc2cccc([C@]3(C)CCSC(N)=N3)c2)s1	ZINC000096173831	HJ	Annotated	Anodyne	
O=C(Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)C1CCC1	ZINC000096173987	HJ	Annotated	Anodyne	
CN(C(=O)c1ccc(OCC2CC2)cc1)[C@@H]1Cc2ccc(CNCC(C)(C)C)cc2C1	ZINC000096174220	HJ	Annotated	Anodyne	
CC[C@H](C)NCc1ccc2c(c1)C[C@H](N(C)C(=O)c1ccc(OCC3CC3)cc1)C2	ZINC000096174222	HJ	Annotated	Anodyne	
Cc1cc(C(=O)Cc2cc(Br)cc([C@]3(C)CCSC(N)=N3)c2)c(C)o1	ZINC000096174303	HJ	Annotated	Anodyne	
Cc1cc(C(=O)Cc2cc(Br)cc([C@@]3(C)CCSC(N)=N3)c2)c(C)o1	ZINC000096174304	HJ	Annotated	Anodyne	
CCc1ccc(Sc2ccc(/C=C3\SC(=S)NC3=O)cc2[N+](=O)[O-])cc1	ZINC000096174916	HJ	Annotated	Clean	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)NC3=O)cc2[N+](=O)[O-])cc1F	ZINC000096174919	HJ	Annotated	Clean	
CC1(C)CC(Nc2cccc3ccc(-c4nnc5ccccn45)nc23)CC(C)(C)N1	ZINC000096174946	HJ	Annotated	Anodyne	
CC(C)(CN)COc1cccc2ccc(-c3nnc4ccc(-c5ccccc5)cn34)nc12	ZINC000096175032	HJ	Annotated	Anodyne	
CC(C)Cc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@@H]2N3)c1	ZINC000096175148	HJ	Annotated	Anodyne	
CC(C)Cc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@H]2N3)c1	ZINC000096175149	HJ	Annotated	Anodyne	
Cn1c2c(c3cc(S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc31)[C@@H]1CC[C@H](C2)N1	ZINC000096175160	HJ	Annotated	Anodyne	
Cn1c2c(c3cc(S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc31)[C@H]1CC[C@@H](C2)N1	ZINC000096175161	HJ	Annotated	Anodyne	
Cn1c2c(c3cc(S(=O)(=O)c4ccc5sccc5c4)ccc31)[C@@H]1CC[C@H](C2)N1	ZINC000096175236	HJ	Annotated	Anodyne	
Cn1c2c(c3cc(S(=O)(=O)c4ccc5sccc5c4)ccc31)[C@H]1CC[C@@H](C2)N1	ZINC000096175237	HJ	Annotated	Anodyne	
Cc1cc(S(=O)(=O)c2csc3ccccc23)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1	ZINC000096175305	HJ	Annotated	Anodyne	
Cc1cc(S(=O)(=O)c2csc3ccccc23)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1	ZINC000096175306	HJ	Annotated	Anodyne	
CCN1[C@H]2CC[C@@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccc5[nH]ccc5c4)cc13)C2	ZINC000096175337	HJ	Annotated	Anodyne	
COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(SC)cc1	ZINC000096176412	HJ	Annotated	Mild	
CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccn1	ZINC000096176573	HJ	Annotated	Mild	
COc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(SC)cc1	ZINC000096176785	HJ	Annotated	Mild	
COCc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(SC)cc1	ZINC000096176828	HJ	Annotated	Mild	
COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(CN(C)C)cc1	ZINC000096177080	HJ	Annotated	Anodyne	
CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1O)N(c1ccc(-c3ccon3)cc1)C2=O	ZINC000096177115	HJ	Annotated	Clean	
C=C(C)c1n[nH]c2c1[C@H](c1ccccc1OC)N(c1ccc(-c3ccon3)cc1)C2=O	ZINC000096177157	HJ	Annotated	Mild	
COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(C(C)(C)O)cc1	ZINC000096177159	HJ	Annotated	Anodyne	
COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(C(C)=O)cc1	ZINC000096177163	HJ	Annotated	Anodyne	
COc1ccc(-c2n[nH]c3c2[C@H](C2CCCCC2)N(Cc2cc(C)on2)C3=O)cc1	ZINC000096177208	HJ	Annotated	Anodyne	
COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(N(C)C)cc1	ZINC000096177210	HJ	Annotated	Anodyne	
N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2cccc(-c3c(F)cc(O)cc3F)n2)C1	ZINC000096177651	HJ	Annotated	Anodyne	
N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3ccc(O)cc3F)n2)C1	ZINC000096177652	HJ	Annotated	Anodyne	
N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3cc(O)ccc3F)n2)C1	ZINC000096177676	HJ	Annotated	Anodyne	
N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2nc(-c3cc(O)ccc3F)ccc2F)C1	ZINC000096177677	HJ	Annotated	Anodyne	
C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2cccc(-c3cc(O)ccc3F)n2)C1	ZINC000096177678	HJ	Annotated	Anodyne	
C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2cccc(-c3ccc(O)cc3F)n2)C1	ZINC000096177680	HJ	Annotated	Anodyne	
C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2cccc(-c3ccccc3F)n2)C1	ZINC000096177703	HJ	Annotated	Anodyne	
O=C(c1cccc(C(F)(F)F)c1)N1CCc2nc(C#Cc3ccccc3)sc2C1	ZINC000096273040	HJ	Annotated	Mild	
O=C(O)CSc1nnc(-c2ccccc2Br)n1-c1cccc(Cl)c1	ZINC000096273178	HJ	Annotated	Anodyne	
Cc1ccc(-n2c(S)nnc2-c2csc(NC(=S)Nc3ccccc3)n2)cc1	ZINC000096282321	HJ	Annotated	Anodyne	
COc1cc(-c2nc3n(n2)CCC[C@H]3c2ccc(F)cc2C)ccc1-n1cnc(C)c1	ZINC000096282620	HJ	Annotated	Anodyne	
COC(=O)c1ccc(Cl)cc1NC(=O)CSc1ccc(Br)cc1	ZINC000096283165	HJ	Annotated	Anodyne	
Nc1c2c(nc3c1[C@@H](c1cccs1)c1c(c4ccccc4oc1=O)O3)CCCC2	ZINC000096284152	HJ	Annotated	Anodyne	
Nc1c2c(nc3c1[C@H](c1cccs1)c1c(c4ccccc4oc1=O)O3)CCCC2	ZINC000096284153	HJ	Annotated	Anodyne	
CN(C(=O)C1CCN(c2ccncc2)CC1)c1cccc(OCc2cccc(F)c2)c1	ZINC000096285736	HJ	Annotated	Anodyne	
c1ccc(Cn2ccnc2C2(c3ccccc3)CCN(c3nccs3)CC2)cc1	ZINC000096310716	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000096336086	HJ	Annotated	Mild	 
CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000096336087	HJ	Annotated	Mild	 
CC(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(N)C(=O)N2c2nccs2)cc1	ZINC000096336423	HJ	Annotated	Mild	 
CC(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(N)C(=O)N2c2nccs2)cc1	ZINC000096336425	HJ	Annotated	Mild	 
[C-]#[N+][C@]12C[C@@H](O)C(C)(C)c3[nH]c4cccc5c4c3[C@]1(O)[C@H](CC[C@]2(C)C=C)C5(C)C	ZINC000096888355	HJ	Annotated	Reactive	
CCCCOc1cc2c(c3c1C[C@@H]1[C@@H](C)CO[C@]1(C)O3)C[C@@H]1[C@@H](C)CO[C@]1(C)O2	ZINC000096900506	HJ	Annotated	Anodyne	
CO/N=C(\C)c1ccc(-n2ccnc2)c(NC(=O)c2cnc(-c3ccccc3)s2)c1	ZINC000096901598	HJ	Annotated	Mild	
CO/N=C(\C)c1ccc(-n2ccnc2)c(NC(=O)c2ccc(-c3cccs3)nc2)c1	ZINC000096901599	HJ	Annotated	Mild	
CO/N=C(\C)c1ccc(-n2ccnc2)c(NC(=O)c2ccc(-c3ccccn3)s2)c1	ZINC000096901601	HJ	Annotated	Mild	
CO/N=C(\C)c1ccc(-n2ccnc2)c(NC(=O)c2ccc(-c3ccccc3)nc2)c1	ZINC000096903445	HJ	Annotated	Mild	
CCCCCCSc1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)cc1Cl	ZINC000096903586	HJ	Annotated	Anodyne	
O=C(NCCCl)NCCCN1c2ccccc2Sc2cc3ccccc3nc21	ZINC000096905899	HJ	Annotated	Reactive	
COc1cc(-c2nc(SC)[nH]c2-c2cccc(OC)c2OC)cc(OC)c1OC	ZINC000096906259	HJ	Annotated	Anodyne	
CC1=C2[C@H]3OC(=O)[C@]4(CC(c5ccc6ccccc6c5)=NO4)[C@@H]3CC[C@@]2(C)C=CC1=O	ZINC000096906643	HJ	Annotated	Mild	
CC1=C2[C@H]3OC(=O)[C@@]4(CC(c5ccc6ccccc6c5)=NO4)[C@@H]3CC[C@@]2(C)C=CC1=O	ZINC000096906644	HJ	Annotated	Mild	
CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21	ZINC000096907003	HJ	Annotated	Mild	
CCCc1cscc1C[C@@H](NC1=NC(C)(C)Cc2cc(Cl)ccc21)C(=O)O	ZINC000096908802	HJ	Annotated	Anodyne	
CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2cscc2C2CC2)C(=O)O)=N1	ZINC000096908805	HJ	Annotated	Anodyne	
CC1(C)Cc2cc(Cl)ccc2C(N[C@H](Cc2cscc2C2CC2)C(=O)O)=N1	ZINC000096908806	HJ	Annotated	Anodyne	
N#Cc1c(Cl)nc(SC[C@@H]2CO[P@](=O)(Cl)O2)nc1-c1ccccc1	ZINC000096910374	HJ	Annotated	Reactive	
N#Cc1c(Cl)nc(SC[C@H]2CO[P@](=O)(Cl)O2)nc1-c1ccccc1	ZINC000096910375	HJ	Annotated	Reactive	
N#Cc1c(Cl)nc(SC[C@@H]2CO[P@@](=O)(Cl)O2)nc1-c1ccccc1	ZINC000096910376	HJ	Annotated	Reactive	
N#Cc1c(Cl)nc(SC[C@H]2CO[P@@](=O)(Cl)O2)nc1-c1ccccc1	ZINC000096910377	HJ	Annotated	Reactive	
O=C(C[n+]1ccn(Cc2c(-c3ccccc3)oc3ccccc23)c1)c1ccc(O)cc1	ZINC000096910400	HJ	Annotated	Mild	
O=C(C[n+]1cnn(Cc2c(-c3ccccc3)oc3ccccc23)c1)c1ccc(F)cc1	ZINC000096910425	HJ	Annotated	Mild	
COc1cc(-c2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2)ccc1-n1cnc(C)c1	ZINC000096911125	HJ	Annotated	Anodyne	
COc1cc(-c2nc3n(n2)CCC[C@H]3c2ccc(F)cc2)ccc1-n1cnc(C)c1	ZINC000096911126	HJ	Annotated	Anodyne	
COc1cc(-c2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2C)ccc1-n1cnc(C)c1	ZINC000096911127	HJ	Annotated	Anodyne	
COc1cc([C@@H]2c3cccc([N+](=O)[O-])c3N[C@H](c3ccc(O)cc3)[C@H]2C)ccc1O	ZINC000096913164	HJ	Annotated	Bother	
CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2ccc(C)cc2)cc(Cl)c1O	ZINC000096913599	HJ	Annotated	Mild	
CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2ccccc2C)cc(Cl)c1O	ZINC000096913600	HJ	Annotated	Mild	
COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3ccc3[nH]ccc43)[nH]c2cc1OC	ZINC000096913703	HJ	Annotated	Reactive	
COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3ccc3[nH]ccc43)[nH]c2cc1OC	ZINC000096913704	HJ	Annotated	Reactive	
COc1ccc(Nc2cc(/C=C/c3ccc(O[C@@H]4CCCCO4)cc3)nc(N)n2)cc1	ZINC000096914146	HJ	Annotated	Anodyne	
COc1ccc(Nc2cc(/C=C/c3ccc(O[C@H]4CCCCO4)cc3)nc(N)n2)cc1	ZINC000096914147	HJ	Annotated	Anodyne	
CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2C2CCCCC2)cc(Cl)c1O	ZINC000096914308	HJ	Annotated	Mild	
CCC(=O)Nc1cc(CNc2c(C#N)c(CC)nn2-c2ccccc2)cc(Cl)c1O	ZINC000096914309	HJ	Annotated	Mild	
CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccc(C)c2)cc(Cl)c1O	ZINC000096914313	HJ	Annotated	Mild	
CCC(=O)Nc1cc(/C=C/c2c(C#N)c(C)nn2-c2ccccc2)cc(Cl)c1O	ZINC000096914317	HJ	Annotated	Mild	
CCC/C=C/CO[C@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O	ZINC000096914324	HJ	Annotated	Anodyne	
CCC/C=C/CO[C@@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O	ZINC000096914325	HJ	Annotated	Anodyne	
CCC/C=C\CO[C@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O	ZINC000096914326	HJ	Annotated	Anodyne	
CCC/C=C\CO[C@@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O	ZINC000096914327	HJ	Annotated	Anodyne	
CCOC(=O)c1cc2c(-c3cccnc3)nn(-c3ccccc3)c2nc1-c1cccnc1	ZINC000096914392	HJ	Annotated	Anodyne	
C/C(O)=N/S(=O)(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1	ZINC000096914471	HJ	Annotated	Mild	
COc1cc(OC)cc([C@@H]2C(=O)c3cc(OC)cc(OC)c3[C@H]2c2ccc(F)cc2)c1	ZINC000096916228	HJ	Annotated	Anodyne	
COc1cc(OC)cc([C@@H]2[C@@H](O)c3cc(OC)cc(OC)c3[C@H]2c2ccc(F)cc2)c1	ZINC000096916239	HJ	Annotated	Anodyne	
COc1cc(OC)cc([C@@H]2[C@H](O)c3cc(OC)cc(OC)c3[C@H]2c2ccc(F)cc2)c1	ZINC000096916241	HJ	Annotated	Anodyne	
CC#Cc1cncc(-c2ccc3c(c2)[C@@]2(C=C(F)C(=N)N2)C2(CCC(OC)CC2)C3)c1	ZINC000096916933	HJ	Annotated	Mild	
CC#Cc1cncc(-c2ccc3c(c2)[C@]2(C=C(F)C(=N)N2)C2(CCC(OC)CC2)C3)c1	ZINC000096916935	HJ	Annotated	Mild	
O=C(c1ccccc1)N1CCC(CCCCn2cc(/C=C/c3cccnc3)nn2)CC1	ZINC000096921836	HJ	Annotated	Anodyne	
O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1C1CCCCC1)NC1CCCC1	ZINC000096922820	HJ	Annotated	Anodyne	
Cc1ccc(Cn2cnc(=O)c3cc(Oc4ncccc4C(F)(F)F)ccc32)cc1	ZINC000096923008	HJ	Annotated	Anodyne	
O=c1ncn(Cc2ccc(F)cc2)c2ccc(Oc3ncccc3C(F)(F)F)cc12	ZINC000096923012	HJ	Annotated	Anodyne	
C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3n3cc(-c4cccnc4)cc23)c1	ZINC000096923828	HJ	Annotated	Mild	
CCOC(=O)[C@H](C)Oc1ccc(C(=O)/C=C/c2cc(C=O)c(O)c([C@H](C)CC)c2)cc1	ZINC000096924066	HJ	Annotated	Mild	
CCOC(=O)[C@H](C)Oc1ccc(C(=O)/C=C/c2cc(C=O)c(O)c([C@@H](C)CC)c2)cc1	ZINC000096924067	HJ	Annotated	Mild	
CCOC(=O)[C@@H](C)Oc1ccc(C(=O)/C=C/c2cc(C=O)c(O)c([C@H](C)CC)c2)cc1	ZINC000096924068	HJ	Annotated	Mild	
CCOC(=O)[C@@H](C)Oc1ccc(C(=O)/C=C/c2cc(C=O)c(O)c([C@@H](C)CC)c2)cc1	ZINC000096924069	HJ	Annotated	Mild	
COc1ccc(CN2OC(C)(C)[C@H]3COc4ccc5c(=O)c(C)c(C)oc5c4[C@H]32)cc1	ZINC000096924224	HJ	Annotated	Anodyne	
Cc1ccc(CN2OC(C)(C)[C@H]3COc4ccc5c(=O)c(C)c(C)oc5c4[C@H]32)cc1	ZINC000096924225	HJ	Annotated	Anodyne	
Cc1oc2c3c(ccc2c(=O)c1C)OC[C@H]1[C@@H]3N(Cc2ccc(F)cc2)OC1(C)C	ZINC000096924227	HJ	Annotated	Anodyne	
O=C(Nc1nc(-c2ccccc2)c(-c2nc(O)c3ccccc3n2)s1)c1ccco1	ZINC000096927341	HJ	Annotated	Anodyne	
CC(=O)O[C@H]1/C=C/C(C)(C)CC2=C(C)[C@@H](OC(C)=O)[C@]3(C[C@@H](C)C=C3/C=C\1C)O2	ZINC000096928266	HJ	Annotated	Anodyne	
CC1=C2CC(C)(C)/C=C/[C@H](OC(=S)n3ccnc3)/C(C)=C\C3=C[C@H](C)C[C@]3(O2)C1=O	ZINC000096928267	HJ	Annotated	Mild	
CCOC(=O)Nc1cc(NC(=O)c2ccc(F)cc2)c2nc(-c3ccco3)[nH]c2c1	ZINC000096928341	HJ	Annotated	Anodyne	
CC1=CC2=C[C@H](C)C[C@@]23O[C@]2(CC(C)(C)[C@@H](Nc4ccccc4)[C@@H]2C1=O)[C@@H](C)C3=O	ZINC000096928506	HJ	Annotated	Mild	
O=C1C[C@H](c2ccccc2Br)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]2N1	ZINC000096929568	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccccc2Br)N(Cc2ccccc2)[C@H]2CCCC[C@@H]2N1	ZINC000096929569	HJ	Annotated	Anodyne	 
O=C1C[C@H](c2ccc(Br)cc2)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]2N1	ZINC000096929570	HJ	Annotated	Anodyne	
O=C1C[C@H](c2ccc(Br)cc2)N(Cc2ccccc2)[C@H]2CCCC[C@@H]2N1	ZINC000096929571	HJ	Annotated	Anodyne	 
C=CCOc1ccc2ccccc2c1/C=N/NC(=O)CCn1c(C)nc2ccccc21	ZINC000096929706	HJ	Annotated	Reactive	
O=c1[nH]c(=O)c2c(-c3ccccc3)c3c(c(-c4ccccc4)c12)c(=O)c1ccccc13	ZINC000096929807	HJ	Annotated	Bother	
COc1cc(-c2cccc(=O)n2-c2ccc(C(F)(F)F)cc2)cc(OC)c1OC	ZINC000096929955	HJ	Annotated	Anodyne	
Cc1ccccc1C(=O)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000096929988	HJ	Annotated	Unstable	 
Cc1n(Cc2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc(Br)cc1	ZINC000096930226	HJ	Annotated	Mild	
CCc1n(Cc2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc(Br)cc1	ZINC000096930235	HJ	Annotated	Mild	
O=C1/C(=N\Nc2ccc([N+](=O)[O-])cc2)SC2(CCCCC2)N1c1ccc(F)cc1	ZINC000096932578	HJ	Annotated	Mild	
CCOC(=O)c1c(C)[nH]c2cc(Cc3ccc(OC(F)(F)F)cc3)ccc2c1=O	ZINC000096933118	HJ	Annotated	Anodyne	
Clc1ccc(-c2cnn3c2nc(NCCCc2ncc[nH]2)c2ccccc23)cc1	ZINC000096933146	HJ	Annotated	Anodyne	
CCOC(=O)c1[nH]c(Br)c(-c2ccc(OC)c(F)c2)c1Br	ZINC000096933266	HJ	Annotated	Anodyne	
C[C@]12C=C3C(=O)O[C@H](c4ccc(C(F)(F)F)cc4)C[C@@]3(OO1)O[C@@H]2c1ccccc1	ZINC000096934037	HJ	Annotated	Reactive	
C[C@]12C=C3C(=O)O[C@@H](c4ccc(C(F)(F)F)cc4)C[C@@]3(OO1)O[C@@H]2c1ccccc1	ZINC000096934038	HJ	Annotated	Reactive	
C[C@]12C=C3C(=O)O[C@H](c4ccc(C(F)(F)F)cc4)C[C@@]3(OO1)O[C@H]2c1ccccc1	ZINC000096934039	HJ	Annotated	Reactive	
C[C@]12C=C3C(=O)O[C@@H](c4ccc(C(F)(F)F)cc4)C[C@@]3(OO1)O[C@H]2c1ccccc1	ZINC000096934040	HJ	Annotated	Reactive	
CC(C)c1cc(=O)n2c3ccccc3n(Cc3cc(=O)oc4ccc(Cl)cc34)c2n1	ZINC000096934502	HJ	Annotated	Anodyne	
COc1ccc(C2=C(C3CC3)[C@H]3C(=O)c4ccccc4C(=O)[C@]23OC)c2cccnc12	ZINC000096934551	HJ	Annotated	Clean	
COc1ccc(C2=C(C3CC3)[C@H]3C(=O)c4ccccc4C(=O)[C@@]23OC)c2cccnc12	ZINC000096934552	HJ	Annotated	Clean	
C/C(O)=N/S(=O)(=O)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1	ZINC000096935000	HJ	Annotated	Mild	
COc1ccc(-c2nnc(N/N=C/c3cccs3)nc2-c2ccc(OC)cc2)cc1	ZINC000096935218	HJ	Annotated	Mild	
COc1ccc([C@]2(c3cc(C(C)(C)C)ccc3O)C(=O)Nc3ccc(OC)cc32)cc1	ZINC000096937514	HJ	Annotated	Anodyne	
COc1ccc([C@@]2(c3cc(C(C)(C)C)ccc3O)C(=O)Nc3ccc(OC)cc32)cc1	ZINC000096937515	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc(O)c([C@@]2(c3ccc(O)cc3)C(=O)Nc3c2ccc(F)c3F)c1	ZINC000096937520	HJ	Annotated	Anodyne	
CC(C)(C)c1ccc(O)c([C@]2(c3ccc(O)cc3)C(=O)Nc3c2ccc(F)c3F)c1	ZINC000096937521	HJ	Annotated	Anodyne	
CO[C@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN=C(NC1CCCCC1)S2	ZINC000096938420	HJ	Annotated	Anodyne	
CO[C@@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN=C(NC1CCCCC1)S2	ZINC000096938421	HJ	Annotated	Anodyne	
COc1ccc(NC(=S)NCc2cn(C(=O)OC(C)(C)C)c3ccccc23)cc1	ZINC000096938447	HJ	Annotated	Anodyne	
CO[C@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN/C(=N\c1ccccc1)S2	ZINC000096938458	HJ	Annotated	Mild	
CO[C@@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN/C(=N\c1ccccc1)S2	ZINC000096938459	HJ	Annotated	Mild	
Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCN(C(C)C)CC1	ZINC000096938971	HJ	Annotated	Anodyne	
Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNCCN1CCCCC1	ZINC000096938975	HJ	Annotated	Anodyne	
CCN(CC)CCCNCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C	ZINC000096938989	HJ	Annotated	Anodyne	
O=C1[C@@H](Cl)[C@@H](c2ccc(Br)cc2)N1c1ccc(Br)cc1	ZINC000096939291	HJ	Annotated	Reactive	
O=C1[C@@H](Cl)[C@H](c2ccc(Br)cc2)N1c1ccc(Br)cc1	ZINC000096939292	HJ	Annotated	Reactive	
O=C1[C@H](Cl)[C@@H](c2ccc(Br)cc2)N1c1ccc(Br)cc1	ZINC000096939293	HJ	Annotated	Reactive	
O=C1[C@H](Cl)[C@H](c2ccc(Br)cc2)N1c1ccc(Br)cc1	ZINC000096939294	HJ	Annotated	Reactive	
O=C1[C@@H](Cl)[C@@H](c2ccc(Cl)cc2)N1c1ccc(I)cc1	ZINC000096939299	HJ	Annotated	Reactive	
O=C1[C@@H](Cl)[C@H](c2ccc(Cl)cc2)N1c1ccc(I)cc1	ZINC000096939300	HJ	Annotated	Reactive	
O=C1[C@H](Cl)[C@@H](c2ccc(Cl)cc2)N1c1ccc(I)cc1	ZINC000096939301	HJ	Annotated	Reactive	
O=C1[C@H](Cl)[C@H](c2ccc(Cl)cc2)N1c1ccc(I)cc1	ZINC000096939302	HJ	Annotated	Reactive	
O=C1O[C@H](COc2cccc3[nH]c4ccccc4c23)CN1CCOC1CCCCC1	ZINC000096939315	HJ	Annotated	Anodyne	
O=C1O[C@@H](COc2cccc3[nH]c4ccccc4c23)CN1CCOC1CCCCC1	ZINC000096939316	HJ	Annotated	Anodyne	
COc1ccccc1OC[C@@H]1COC(COc2cccc3[nH]c4ccccc4c23)=N1	ZINC000096939765	HJ	Annotated	Anodyne	
COc1ccccc1OC[C@H]1COC(COc2cccc3[nH]c4ccccc4c23)=N1	ZINC000096939769	HJ	Annotated	Anodyne	
COc1ccc(CSc2nc(O)c(C)c(C(=O)c3cccc(Cl)c3)n2)cc1	ZINC000096939917	HJ	Annotated	Anodyne	
COc1ccc(CSc2nc(O)c(C(C)C)c(C(=O)c3ccc(F)cc3)n2)cc1	ZINC000096939937	HJ	Annotated	Anodyne	
c1ccc2c(c1)[nH]c1cccc(OC[C@@H]3CN(CCOC4CCCCC4)CCO3)c12	ZINC000096939992	HJ	Annotated	Anodyne	
c1ccc2c(c1)[nH]c1cccc(OC[C@H]3CN(CCOC4CCCCC4)CCO3)c12	ZINC000096939996	HJ	Annotated	Anodyne	
CCc1c(O)nc(SCc2ccc(OC)cc2)nc1C(=O)c1cc(F)cc(F)c1	ZINC000096940100	HJ	Annotated	Anodyne	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc2ccccc2nc1Oc1ccccc1	ZINC000098081858	HJ	Annotated	Reactive	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc2ccccc2nc1Oc1ccccc1	ZINC000098081859	HJ	Annotated	Reactive	
Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(F)cc2)cc1	ZINC000098082102	HJ	Annotated	Reactive	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(F)cc2)cc1	ZINC000098082103	HJ	Annotated	Reactive	
O=C1N/C(=N\c2nc(-c3ccccc3)cs2)S/C1=C\c1ccc([N+](=O)[O-])s1	ZINC000098082194	HJ	Annotated	Mild	
N=C1S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1nc(-c2ccccc2)cs1	ZINC000098082559	HJ	Annotated	Bother	
COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3c4nncn4C=N[C@@H]32)cc1	ZINC000098082680	HJ	Annotated	Anodyne	
COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3c4nncn4C=N[C@H]32)cc1	ZINC000098082681	HJ	Annotated	Anodyne	
COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3c4nncn4C=N[C@@H]32)cc1	ZINC000098082682	HJ	Annotated	Anodyne	
COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3c4nncn4C=N[C@H]32)cc1	ZINC000098082683	HJ	Annotated	Anodyne	
Fc1ccc(-n2cc(Cn3c4ccccc4c4nc5ccccc5nc43)nn2)c(F)c1	ZINC000098082908	HJ	Annotated	Bother	
Fc1ccc(-n2cc(Cn3c4ccc(F)cc4c4nc5ccccc5nc43)nn2)cc1	ZINC000098083163	HJ	Annotated	Bother	
Cc1ccc(N2C=C(c3ccccc3)[C@H]3C(N/N=C/c4ccccc4)=NC=N[C@@H]32)cc1	ZINC000098083190	HJ	Annotated	Mild	
Cc1ccc(N2C=C(c3ccccc3)[C@@H]3C(N/N=C/c4ccccc4)=NC=N[C@@H]32)cc1	ZINC000098083191	HJ	Annotated	Mild	
Cc1ccc(N2C=C(c3ccccc3)[C@H]3C(N/N=C/c4ccccc4)=NC=N[C@H]32)cc1	ZINC000098083192	HJ	Annotated	Mild	
Cc1ccc(N2C=C(c3ccccc3)[C@@H]3C(N/N=C/c4ccccc4)=NC=N[C@H]32)cc1	ZINC000098083193	HJ	Annotated	Mild	
COc1ccc(N2C=C(c3ccccc3)[C@H]3C(N/N=C/c4ccccc4)=NC=N[C@@H]32)cc1	ZINC000098083194	HJ	Annotated	Mild	
COc1ccc(N2C=C(c3ccccc3)[C@@H]3C(N/N=C/c4ccccc4)=NC=N[C@@H]32)cc1	ZINC000098083195	HJ	Annotated	Mild	
COc1ccc(N2C=C(c3ccccc3)[C@H]3C(N/N=C/c4ccccc4)=NC=N[C@H]32)cc1	ZINC000098083196	HJ	Annotated	Mild	
COc1ccc(N2C=C(c3ccccc3)[C@@H]3C(N/N=C/c4ccccc4)=NC=N[C@H]32)cc1	ZINC000098083197	HJ	Annotated	Mild	
CCc1c(Sc2ccccc2)n(OCc2ccc(Cl)cc2)c(=S)[nH]c1=O	ZINC000098083826	HJ	Annotated	Anodyne	
Clc1ccc2nc(Nc3nnc4sc(Oc5ccccc5)nn34)sc2c1	ZINC000098084865	HJ	Annotated	Anodyne	
O=C1C(SCc2ccc(Cl)cc2)=C(N2CCSCC2)C(=O)c2ccccc21	ZINC000098084966	HJ	Annotated	Mild	
COc1cc(OC)c(C2=CCN(C)CC2)c(OC)c1/C=C/C(=O)c1ccc(C)cc1	ZINC000098085352	HJ	Annotated	Mild	
COc1cc(OO)cc2c1C(=O)C[C@H](c1ccccc1OC(=O)Nc1ccccc1)O2	ZINC000098085461	HJ	Annotated	Reactive	
COc1cc(OO)cc2c1C(=O)C[C@@H](c1ccccc1OC(=O)Nc1ccccc1)O2	ZINC000098085462	HJ	Annotated	Reactive	
COc1nc(C[S@@](=O)c2nc3ccccc3[nH]2)nc2scc(-c3ccccc3)c12	ZINC000098085727	HJ	Annotated	Anodyne	
COc1nc(C[S@](=O)c2nc3ccccc3[nH]2)nc2scc(-c3ccccc3)c12	ZINC000098085728	HJ	Annotated	Anodyne	
CC(=O)N1CCC[C@H]([C@]2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1	ZINC000098208073	HJ	Annotated	Anodyne	
C=CCOc1c(CC=C)cc(Cl)cc1CNCCCNC(=O)Nc1ccsc1	ZINC000098208153	HJ	Annotated	Mild