CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1	ZINC000000538163	81/52/64/206815264	SNWQKAWITMVCQW-UHFFFAOYSA-N	-2	362.363	FD	1.462	0	Anodyne	ref	FDAARL	CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1	world
O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000000651248	21/66/65/518216665	PTNUCHKDWQYXLM-UHFFFAOYSA-N	0	360.435	FD	1.889	0	Anodyne	ref	FDAARN	O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	 
O=C(COc1ccccc1)N1CCN(C(=O)COc2ccccc2)CC1	ZINC000000668137	31/16/82/219311682	CDQDCIXXBFSRJQ-UHFFFAOYSA-N	0	354.406	FD	1.815	0	Anodyne	ref	FDAARN	O=C(COc1ccccc1)N1CCN(C(=O)COc2ccccc2)CC1	 
COc1cc(C(=O)NN2C(=O)c3ccccc3C2=O)cc(OC)c1OC	ZINC000000668376	31/13/04/219311304	BVBNCLKYCOMIBI-UHFFFAOYSA-N	-1	356.334	FD	1.653	3	Anodyne	high	FDAAHM	COc1cc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)cc(OC)c1OC	 
COc1cc(C(=O)NN2C(=O)c3ccccc3C2=O)cc(OC)c1OC	ZINC000000668376	31/12/98/219311298	BVBNCLKYCOMIBI-UHFFFAOYSA-N	0	356.334	FD	1.653	0	Anodyne	ref	FDAARN	COc1cc(C(=O)NN2C(=O)c3ccccc3C2=O)cc(OC)c1OC	 
COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000000670706	21/90/75/518219075	PVGMHTSCZIEKPR-UHFFFAOYSA-N	0	354.428	FD	1.753	0	Anodyne	ref	FDAARN	COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	 
COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1	ZINC000000670991	21/82/60/518218260	LSOWIQRRNCXTIG-UHFFFAOYSA-N	0	368.455	FD	1.999	0	Anodyne	ref	FDAARN	COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1	 
NC(=O)c1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C(N)=O	ZINC000000671439	31/17/02/219311702	OTMGFMAJQMCCHW-UHFFFAOYSA-N	0	368.393	FD	1.632	0	Anodyne	ref	FDAARN	NC(=O)c1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C(N)=O	 
COC(=O)/C(C#N)=N/Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000000672247	21/82/90/518218290	CXXCTGUBGXSLBK-NBVRZTHBSA-N	-1	350.4	FD	1.326	3	Mild	high	FDEAHM	COC(=O)C(C#N)=N[N-]c1ccc(S(=O)(=O)N2CCCCC2)cc1	 
COC(=O)/C(C#N)=N/Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000000672247	21/82/79/518218279	CXXCTGUBGXSLBK-NBVRZTHBSA-N	0	350.4	FD	1.326	0	Mild	ref	FDEARN	COC(=O)C(C#N)=NNc1ccc(S(=O)(=O)N2CCCCC2)cc1	 
NC(=O)c1ccc(NC(=O)CCC(=O)Nc2ccc(C(N)=O)cc2)cc1	ZINC000000672526	31/17/28/219311728	WMPJQILTCKGJKP-UHFFFAOYSA-N	0	354.366	FD	1.242	0	Anodyne	ref	FDAARN	NC(=O)c1ccc(NC(=O)CCC(=O)Nc2ccc(C(N)=O)cc2)cc1	 
CC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C)cc2)cc1	ZINC000000672638	21/83/69/518218369	GAMFBORRVLLCKS-UHFFFAOYSA-N	-1	362.407	FD	1.837	0	Anodyne	ref	FDAARM	CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(C)cc2)cc1	 
CC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2C)cc1	ZINC000000672639	82/31/85/206823185	PJRNOGBJNBRVBZ-UHFFFAOYSA-N	-1	362.407	FD	1.837	0	Anodyne	ref	FDAARM	CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccccc2C)cc1	 
O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC1	ZINC000000676435	21/88/73/518218873	VGTHCLKUKSPMSF-UHFFFAOYSA-N	0	353.469	FD	1.694	0	Anodyne	ref	FDAARN	O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC1	 
CC(C)(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1	ZINC000000677163	21/79/20/518217920	IKLTZJXXVYQTEG-UHFFFAOYSA-N	0	355.485	FD	1.986	0	Anodyne	ref	FDAARN	CC(C)(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1	 
COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1	ZINC000000677972	21/79/53/518217953	STXDRFLFITVMBT-UHFFFAOYSA-N	0	367.383	FD	1.676	2	Anodyne	low	FDAALN	COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1	 
COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1	ZINC000000677972	21/79/40/518217940	STXDRFLFITVMBT-UHFFFAOYSA-N	-1	367.383	FD	1.676	0	Anodyne	ref	FDAARM	COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1	 
COc1ccc(C(=O)NC(=S)N2CCOCC2)cc1Br	ZINC000000680908	94/15/45/203941545	SZWHOZWNHWBUPL-UHFFFAOYSA-N	0	359.245	FD	1.805	0	Anodyne	ref	FDAARN	COc1ccc(C(=O)NC(=S)N2CCOCC2)cc1Br	 
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)no1	ZINC000000836022	32/86/39/219328639	ZXGQNVUADFSGGQ-UHFFFAOYSA-N	-1	353.356	FD	1.587	2	Anodyne	low	FDAALM	Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)no1	 
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)no1	ZINC000000836022	32/86/35/219328635	ZXGQNVUADFSGGQ-UHFFFAOYSA-N	-1	353.356	FD	1.587	0	Anodyne	ref	FDAARM	Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)no1	 
O=C(O)/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000000850264	22/15/98/518221598	NRXISUURFNFNDA-MDZDMXLPSA-N	-1	352.412	FD	1.831	0	Anodyne	ref	FDAARM	O=C([O-])/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	 
CC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2cccc(C)c2)cc1	ZINC000001003636	22/54/73/518225473	MVQUXVDLCYBEPX-UHFFFAOYSA-N	-1	362.407	FD	1.837	0	Anodyne	ref	FDAARM	CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)COc2cccc(C)c2)cc1	 
CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1	ZINC000001003769	22/58/50/518225850	VBZLLVWILIDKLO-UHFFFAOYSA-N	0	355.485	FD	1.94	0	Anodyne	ref	FDAARN	CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1	 
COc1ccc(C(=O)N2CCN(C)CC2)cc1I	ZINC000001003789	22/61/07/518226107	UXFYYXSSPZKJHU-UHFFFAOYSA-N	1	360.195	FD	1.687	1	Anodyne	mid	FDAAMO	COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1I	 
COc1ccc(C(=O)N2CCN(C)CC2)cc1I	ZINC000001003789	22/61/03/518226103	UXFYYXSSPZKJHU-UHFFFAOYSA-N	0	360.195	FD	1.687	0	Anodyne	ref	FDAARN	COc1ccc(C(=O)N2CCN(C)CC2)cc1I	 
C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1	ZINC000001004107	14/87/10/210148710	PLXIMHXWQYFVNK-UHFFFAOYSA-N	-1	352.412	FD	1.853	0	Mild	ref	FDEARM	C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1	 
COc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC	ZINC000001013720	35/29/85/219352985	FZJBOEPGCLNCTI-UHFFFAOYSA-N	0	366.395	FD	1.612	0	Anodyne	ref	FDAARN	COc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC	 
O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1)OCc1ccccc1	ZINC000001070352	31/38/53/210313853	FMMPWXHUDHPPCM-KRWDZBQOSA-N	0	370.38	FD	1.9	0	Anodyne	ref	FDAARN	O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1)OCc1ccccc1	 
O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1)OCc1ccccc1	ZINC000001070353	36/40/72/219364072	FMMPWXHUDHPPCM-QGZVFWFLSA-N	0	370.38	FD	1.9	0	Anodyne	ref	FDAARN	O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1)OCc1ccccc1	 
COc1cc(/C=N/NC(=O)c2cc(O)cc(O)c2)c([N+](=O)[O-])cc1OC	ZINC000001087206	04/09/48/291040948	RURQMSAQIRWKFO-CAOOACKPSA-N	-1	361.31	FD	1.787	3	Reactive	high	FDGAHM	COc1cc(/C=N/NC(=O)c2cc([O-])cc(O)c2)c([N+](=O)[O-])cc1OC	 
COc1cc(/C=N/NC(=O)c2cc(O)cc(O)c2)c([N+](=O)[O-])cc1OC	ZINC000001087206	04/09/42/291040942	RURQMSAQIRWKFO-CAOOACKPSA-N	0	361.31	FD	1.787	0	Reactive	ref	FDGARN	COc1cc(/C=N/NC(=O)c2cc(O)cc(O)c2)c([N+](=O)[O-])cc1OC	 
CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1	ZINC000001088058	22/76/69/518227669	SPCVBORNGIRJOU-KBPBESRZSA-N	-2	368.411	FD	1.341	0	Anodyne	ref	FDAARL	CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1	 
CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1	ZINC000001088059	31/42/25/210314225	SPCVBORNGIRJOU-KGLIPLIRSA-N	-2	368.411	FD	1.341	0	Anodyne	ref	FDAARL	CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1	 
O=C(/C=C/c1ccco1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000001156695	32/66/77/210326677	GMLVKTZLFVDMAG-VMPITWQZSA-N	0	362.407	FD	1.952	0	Anodyne	ref	FDAARN	O=C(/C=C/c1ccco1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	 
CC[C@H]1C(=O)NCCN1C(=O)c1ccc(C)c(I)c1	ZINC000001236638	87/11/95/206871195	WKRAFSZVSCJPFV-LBPRGKRZSA-N	0	372.206	FD	1.95	0	Anodyne	ref	FDAARN	CC[C@H]1C(=O)NCCN1C(=O)c1ccc(C)c(I)c1	 
CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(C)c(I)c1	ZINC000001236639	22/90/97/518229097	WKRAFSZVSCJPFV-GFCCVEGCSA-N	0	372.206	FD	1.95	0	Anodyne	ref	FDAARN	CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(C)c(I)c1	 
O=C(NCCNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]	ZINC000001794689	01/96/30/204019630	AOMVYHSWEVDVQE-UHFFFAOYSA-N	0	358.31	FD	1.663	0	Bother	ref	FDBARN	O=C(NCCNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]	 
O=C(NCCNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	ZINC000001794692	23/60/30/518236030	SIUINFDTEFWQER-UHFFFAOYSA-N	0	358.31	FD	1.663	0	Bother	ref	FDBARN	O=C(NCCNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	 
NC(N)=NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1	ZINC000001893937	37/37/65/210373765	CUCLXMXIBGJMCS-UHFFFAOYSA-N	0	367.431	FD	1.597	0	Mild	ref	FDEARN	NC(N)=NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1	 
Cc1ccc(OCC(=O)NCCNC(=O)COc2ccc(C)cc2)cc1	ZINC000002132526	23/76/93/518237693	OCZQXADUWPTNGC-UHFFFAOYSA-N	0	356.422	FD	1.994	0	Anodyne	ref	FDAARN	Cc1ccc(OCC(=O)NCCNC(=O)COc2ccc(C)cc2)cc1	 
Cc1cccc(OCC(=O)NCCNC(=O)COc2cccc(C)c2)c1	ZINC000002132527	23/84/90/518238490	IGICLKGVGVHBHY-UHFFFAOYSA-N	0	356.422	FD	1.994	0	Anodyne	ref	FDAARN	Cc1cccc(OCC(=O)NCCNC(=O)COc2cccc(C)c2)c1	 
Cc1ccccc1OCC(=O)NCCNC(=O)COc1ccccc1C	ZINC000002132529	23/86/63/518238663	IMRZTJQUCNZSCF-UHFFFAOYSA-N	0	356.422	FD	1.994	0	Anodyne	ref	FDAARN	Cc1ccccc1OCC(=O)NCCNC(=O)COc1ccccc1C	 
CC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1	ZINC000002136178	23/79/22/518237922	OMKJAZHTYOMJTI-UHFFFAOYSA-N	0	354.413	FD	1.617	2	Anodyne	low	FDAALN	CC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1	 
CC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1	ZINC000002136178	23/79/16/518237916	OMKJAZHTYOMJTI-UHFFFAOYSA-N	-1	354.413	FD	1.617	0	Anodyne	ref	FDAARM	CC(=O)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1	 
C/C(O)=N/S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCC2)cc1	ZINC000002136370	02/73/65/204027365	VVWNCEHKUGULRR-UHFFFAOYSA-N	-1	355.441	FD	1.965	0	Mild	ref	FDEARM	CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCC2)cc1	 
CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000002137057	02/75/66/204027566	XIJSWZYKEKNKCY-UHFFFAOYSA-N	0	355.485	FD	1.94	0	Anodyne	ref	FDAARN	CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	 
CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000002137061	37/98/11/210379811	QVZVKNKBWUBIAU-UHFFFAOYSA-N	0	371.484	FD	1.176	0	Anodyne	ref	FDAARN	CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	 
C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(C)=O)cc1	ZINC000002137128	23/82/44/518238244	WGYXCAUSWGBBNV-UHFFFAOYSA-N	0	353.469	FD	1.882	0	Mild	ref	FDEARN	C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(C)=O)cc1	 
C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)/C=C/C(=O)O)cc1	ZINC000002137210	42/89/26/219428926	LNQSVXGFPWSAKY-MDZDMXLPSA-N	-1	350.396	FD	1.629	0	Mild	ref	FDEARM	C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1	 
CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000002696236	92/75/45/206927545	ILPDWOWZFYYAMC-UHFFFAOYSA-N	0	354.428	FD	1.753	0	Anodyne	ref	FDAARN	CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	 
COc1ccc(CC(=O)NCCNC(=O)Cc2ccc(OC)cc2)cc1	ZINC000002806724	25/16/68/518251668	AABIXXWDPXOIBJ-UHFFFAOYSA-N	0	356.422	FD	1.721	0	Anodyne	ref	FDAARN	COc1ccc(CC(=O)NCCNC(=O)Cc2ccc(OC)cc2)cc1	 
CCOC(=O)CNC(=O)c1ccc(OC)c(I)c1	ZINC000002871531	06/52/70/204065270	ACIFEXOXZQNOTI-UHFFFAOYSA-N	0	363.151	FD	1.593	0	Anodyne	ref	FDAARN	CCOC(=O)CNC(=O)c1ccc(OC)c(I)c1	 
O=C(COc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccco2)CC1	ZINC000003382287	26/74/07/518267407	CBFHKCOFOXJRIE-UHFFFAOYSA-N	0	359.338	FD	1.551	0	Bother	ref	FDBARN	O=C(COc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccco2)CC1	 
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000003520770	10/40/90/204104090	WAJSRKDKMNXGDX-JTQLQIEISA-N	0	365.367	FD	1.648	0	Bother	ref	FDBARN	C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	 
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000003520771	27/30/21/518273021	WAJSRKDKMNXGDX-SNVBAGLBSA-N	0	365.367	FD	1.648	0	Bother	ref	FDBARN	C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	 
Cc1ccc(C(=O)ON2C(=O)CCC2=O)cc1I	ZINC000003644330	27/76/28/518277628	GHTHESUTFOWAHH-UHFFFAOYSA-N	0	359.119	FD	1.82	0	Mild	ref	FDEARN	Cc1ccc(C(=O)ON2C(=O)CCC2=O)cc1I	 
O=C(O)[C@H]1CCCC[C@H]1C(=O)NCCNC(=O)[C@H]1CCCC[C@H]1C(=O)O	ZINC000004349677	01/48/87/207014887	YXNBHSFRFDRSLQ-LVEBTZEWSA-N	-2	368.43	FD	1.001	0	Anodyne	ref	FDAARL	O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	 
CCN(CC)CCNC(=O)c1ccc(C(=O)NCCN(CC)CC)cc1	ZINC000004428705	29/80/93/518298093	VENNXSKJXPFJCB-UHFFFAOYSA-N	2	362.518	FD	1.83	0	Anodyne	ref	FDAARP	CC[NH+](CC)CCNC(=O)c1ccc(C(=O)NCC[NH+](CC)CC)cc1	 
CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000004507937	53/44/08/210534408	BOZGRSKXLMGVLK-MDZDMXLPSA-N	0	352.412	FD	1.529	0	Anodyne	ref	FDAARN	CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	 
Cc1nn(C(N)=S)c(O)c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N	ZINC000004520466	30/36/81/518303681	GJVSFCILLDKUAW-ZDUSSCGKSA-N	-1	356.367	FD	1.692	1	Mild	mid	FDEAMM	Cc1nn(C(N)=S)c([O-])c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N	 
Cc1nn(C(N)=S)c(O)c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N	ZINC000004520466	30/36/57/518303657	GJVSFCILLDKUAW-ZDUSSCGKSA-N	-1	356.367	FD	1.692	0	Mild	ref	FDEARM	Cc1[n-]n(C(N)=S)c(=O)c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N	 
Cc1nn(C(N)=S)c(O)c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N	ZINC000004520467	02/48/38/207024838	GJVSFCILLDKUAW-CYBMUJFWSA-N	-1	356.367	FD	1.692	1	Mild	mid	FDEAMM	Cc1nn(C(N)=S)c([O-])c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N	 
Cc1nn(C(N)=S)c(O)c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N	ZINC000004520467	02/48/32/207024832	GJVSFCILLDKUAW-CYBMUJFWSA-N	-1	356.367	FD	1.692	0	Mild	ref	FDEARM	Cc1[n-]n(C(N)=S)c(=O)c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N	 
O=C(NCCNC(=O)[C@H]1CCCC[C@H]1C(=O)O)[C@H]1CCCC[C@H]1C(=O)O	ZINC000004592346	03/10/52/207031052	YXNBHSFRFDRSLQ-IGQOVBAYSA-N	-2	368.43	FD	1.001	0	Anodyne	ref	FDAARL	O=C(NCCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])[C@H]1CCCC[C@H]1C(=O)[O-]	 
COC(=O)CCC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000004673127	03/69/10/207036910	XDGVHKRILCSKCB-UHFFFAOYSA-N	0	369.468	FD	1.492	0	Anodyne	ref	FDAARN	COC(=O)CCC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCC2	 
CCOC(=O)/C=C/C(=O)NCCCCCCNC(=O)/C=C/C(=O)OCC	ZINC000004673321	30/62/29/518306229	WHIALWSXPMTAMW-WGDLNXRISA-N	0	368.43	FD	1.018	0	Anodyne	ref	FDAARN	CCOC(=O)/C=C/C(=O)NCCCCCCNC(=O)/C=C/C(=O)OCC	 
CCOC(=O)/C=C/C(=O)NC(=S)Nc1sc(C)c(C)c1C(N)=O	ZINC000004698678	59/75/98/219597598	BKGUCKKBKALPIV-AATRIKPKSA-N	0	355.441	FD	1.396	0	Anodyne	ref	FDAARN	CCOC(=O)/C=C/C(=O)NC(=S)Nc1sc(C)c(C)c1C(N)=O	 
CC(=O)NS(=O)(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	ZINC000004699447	15/63/43/204156343	JIHZZXGMRJVDPB-CXUHLZMHSA-N	-1	363.351	FD	1.876	2	Mild	low	FDEALM	CC(=O)[N-]S(=O)(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	 
CC(=O)NS(=O)(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	ZINC000004699447	15/63/39/204156339	JIHZZXGMRJVDPB-CXUHLZMHSA-N	-2	363.351	FD	1.876	0	Mild	ref	FDEARL	CC(=O)[N-]S(=O)(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	 
CCOC(=O)CCC(=O)NC(=S)Nc1sc(C)c(C)c1C(N)=O	ZINC000004724006	15/87/59/204158759	ASWKFHDBCQWNGX-UHFFFAOYSA-N	0	357.457	FD	1.62	0	Anodyne	ref	FDAARN	CCOC(=O)CCC(=O)NC(=S)Nc1sc(C)c(C)c1C(N)=O	 
CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)C1CCCCC1	ZINC000004839705	16/84/76/204168476	VJZDWYFDLZILRT-CYBMUJFWSA-N	0	369.487	FD	1.11	0	Anodyne	ref	FDAARN	CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)C1CCCCC1	 
CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)C1CCCCC1	ZINC000004839706	31/42/27/518314227	VJZDWYFDLZILRT-ZDUSSCGKSA-N	0	369.487	FD	1.11	0	Anodyne	ref	FDAARN	CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)C1CCCCC1	 
CC(C)(C)OC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCc1ccccc1	ZINC000004943970	58/26/66/210582666	VGTNEKDGKFGPDE-HNNXBMFYSA-N	0	362.426	FD	1.898	0	Anodyne	ref	FDAARN	CC(C)(C)OC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCc1ccccc1	 
CC(C)(C)OC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCc1ccccc1	ZINC000004943971	06/47/91/207064791	VGTNEKDGKFGPDE-OAHLLOKOSA-N	0	362.426	FD	1.898	0	Anodyne	ref	FDAARN	CC(C)(C)OC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCc1ccccc1	 
CCCOc1ccccc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC(C)C	ZINC000004984295	18/16/46/204181646	WQRFDPZHOMQLCK-HNNXBMFYSA-N	0	362.426	FD	1.758	0	Anodyne	ref	FDAARN	CCCOc1ccccc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC(C)C	 
CCCOc1ccccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)OC(C)C	ZINC000004984307	58/73/86/210587386	WQRFDPZHOMQLCK-OAHLLOKOSA-N	0	362.426	FD	1.758	0	Anodyne	ref	FDAARN	CCCOc1ccccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)OC(C)C	 
O=C1NC(=O)C(=NNc2ccc(Cl)cc2C(=O)c2ccccc2)C(=O)N1	ZINC000005649916	35/18/83/518351883	GOKXOMPVYVRSMX-UHFFFAOYSA-N	0	370.752	FD	1.705	2	Mild	low	FDEALN	O=C1NC(=O)C(=NNc2ccc(Cl)cc2C(=O)c2ccccc2)C(=O)N1	 
O=C1NC(=O)C(=NNc2ccc(Cl)cc2C(=O)c2ccccc2)C(=O)N1	ZINC000005649916	35/18/77/518351877	GOKXOMPVYVRSMX-UHFFFAOYSA-N	-1	370.752	FD	1.705	0	Mild	ref	FDEARM	O=C1[N-]C(=O)C(=NNc2ccc(Cl)cc2C(=O)c2ccccc2)C(=O)N1	 
Cc1nn(C(N)=S)c(O)c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N	ZINC000006268988	13/60/07/207136007	CXPSZRUEDMZRAS-ZDUSSCGKSA-N	-1	356.367	FD	1.692	1	Mild	mid	FDEAMM	Cc1nn(C(N)=S)c([O-])c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N	 
Cc1nn(C(N)=S)c(O)c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N	ZINC000006268988	13/60/01/207136001	CXPSZRUEDMZRAS-ZDUSSCGKSA-N	-1	356.367	FD	1.692	0	Mild	ref	FDEARM	Cc1[n-]n(C(N)=S)c(=O)c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N	 
Cc1nn(C(N)=S)c(O)c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N	ZINC000006268990	36/72/47/518367247	CXPSZRUEDMZRAS-CYBMUJFWSA-N	-1	356.367	FD	1.692	1	Mild	mid	FDEAMM	Cc1nn(C(N)=S)c([O-])c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N	 
Cc1nn(C(N)=S)c(O)c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N	ZINC000006268990	36/72/31/518367231	CXPSZRUEDMZRAS-CYBMUJFWSA-N	-1	356.367	FD	1.692	0	Mild	ref	FDEARM	Cc1[n-]n(C(N)=S)c(=O)c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N	 
CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1	ZINC000006286906	36/78/75/518367875	HZNLLVGHKYHIHT-UHFFFAOYSA-N	0	353.425	FD	1.657	0	Anodyne	ref	FDAARN	CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1	 
O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCOCC1	ZINC000006702210	38/36/92/518383692	ATIOPDCQCXORGW-KGLIPLIRSA-N	-1	360.41	FD	1.988	0	Anodyne	ref	FDAARM	O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCOCC1	 
O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(=O)N1CCOCC1	ZINC000006702211	15/61/51/207156151	ATIOPDCQCXORGW-KBPBESRZSA-N	-1	360.41	FD	1.988	0	Anodyne	ref	FDAARM	O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(=O)N1CCOCC1	 
O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCOCC1	ZINC000006702212	68/97/60/210689760	ATIOPDCQCXORGW-ZIAGYGMSSA-N	-1	360.41	FD	1.988	0	Anodyne	ref	FDAARM	O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCOCC1	 
O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@H]1CCCC[C@H]1C(=O)O	ZINC000006702213	26/24/63/204262463	ATIOPDCQCXORGW-UONOGXRCSA-N	-1	360.41	FD	1.988	0	Anodyne	ref	FDAARM	O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@H]1CCCC[C@H]1C(=O)[O-]	 
CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1	ZINC000006779902	16/42/94/207164294	WKVSUBSULOUWMU-KGLIPLIRSA-N	-1	354.428	FD	1.766	0	Anodyne	ref	FDAARM	CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1	 
C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1	ZINC000006855965	77/77/17/219777717	LFCJFKCSTVAUDK-UHFFFAOYSA-N	0	365.436	FD	1.871	0	Mild	ref	FDEARN	C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1	 
CCCOC(=O)CCC(=O)NC(=S)Nn1c(C)cc(C)c(C#N)c1=O	ZINC000007262437	19/25/37/207192537	MKLDTFWSAGSBCF-UHFFFAOYSA-N	0	364.427	FD	1.015	0	Mild	ref	FDEARN	CCCOC(=O)CCC(=O)NC(=S)Nn1c(C)cc(C)c(C#N)c1=O	 
CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)C1CCCCC1	ZINC000007262442	29/26/86/204292686	WMIQSLOUIHMGSZ-CYBMUJFWSA-N	0	369.487	FD	1.111	0	Anodyne	ref	FDAARN	CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)C1CCCCC1	 
CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)C1CCCCC1	ZINC000007262455	19/23/33/207192333	WMIQSLOUIHMGSZ-ZDUSSCGKSA-N	0	369.487	FD	1.111	0	Anodyne	ref	FDAARN	CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)C1CCCCC1	 
O=C(NC(=S)Nc1ccccc1C(=O)N1CCOCC1)c1ccco1	ZINC000008435739	33/09/67/204330967	WACWMFMFWLFBQF-UHFFFAOYSA-N	0	359.407	FD	1.879	0	Anodyne	ref	FDAARN	O=C(NC(=S)Nc1ccccc1C(=O)N1CCOCC1)c1ccco1	 
COC(=O)CCC(=O)NC(=S)Nc1ccccc1C(=O)NC(C)(C)C	ZINC000008556720	79/19/29/210791929	UUDLUJPPZVYKNM-UHFFFAOYSA-N	0	365.455	FD	1.981	0	Anodyne	ref	FDAARN	COC(=O)CCC(=O)NC(=S)Nc1ccccc1C(=O)NC(C)(C)C	 
COC(=O)c1cccc(C(=O)NC(=S)Nc2ccc(C(N)=O)cc2)c1	ZINC000010011718	38/91/15/204389115	ZAADUQBDTVIDTE-UHFFFAOYSA-N	0	357.391	FD	1.699	0	Anodyne	ref	FDAARN	COC(=O)c1cccc(C(=O)NC(=S)Nc2ccc(C(N)=O)cc2)c1	 
COC(=O)c1ccc(C(=O)NC(=S)Nc2ccc(C(N)=O)cc2)cc1	ZINC000010012526	38/91/61/204389161	FMPRUAJVOKUJPR-UHFFFAOYSA-N	0	357.391	FD	1.699	0	Anodyne	ref	FDAARN	COC(=O)c1ccc(C(=O)NC(=S)Nc2ccc(C(N)=O)cc2)cc1	 
CCOC(=O)CCC(=O)NC(=S)Nc1sc(C)c(CC)c1C(N)=O	ZINC000010149882	29/66/03/207296603	JYBRAUIDGNWISX-UHFFFAOYSA-N	0	371.484	FD	1.874	0	Anodyne	ref	FDAARN	CCOC(=O)CCC(=O)NC(=S)Nc1sc(C)c(CC)c1C(N)=O	 
CCNC(=O)c1ccccc1NC(=S)NC(=O)CCC(=O)OCC	ZINC000012137188	95/76/43/219957643	YTGRSYUFLIZGSZ-UHFFFAOYSA-N	0	351.428	FD	1.593	0	Anodyne	ref	FDAARN	CCNC(=O)c1ccccc1NC(=S)NC(=O)CCC(=O)OCC	 
CCCOC(=O)CCC(=O)NC(=S)Nc1ccccc1C(=O)NCC	ZINC000012137458	34/12/75/207341275	NDZCJBRRWPKHRJ-UHFFFAOYSA-N	0	365.455	FD	1.983	0	Anodyne	ref	FDAARN	CCCOC(=O)CCC(=O)NC(=S)Nc1ccccc1C(=O)NCC	 
O=C(NC(=S)Nc1cccc(C(=O)N2CCOCC2)c1)c1ccco1	ZINC000012138682	59/11/39/518591139	UAALPWLHDXVBBU-UHFFFAOYSA-N	0	359.407	FD	1.879	0	Anodyne	ref	FDAARN	O=C(NC(=S)Nc1cccc(C(=O)N2CCOCC2)c1)c1ccco1