COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCC(N)=O	ZINC000000853991	62/98/51/263629851	XILIZKQEBHGAPV-GUNGLEHYSA-N	0	359.382	FC	0.761	0	Reactive	ref	FCGARN	COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCC(N)=O	 
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCC(N)=O	ZINC000001147567	38/04/75/219380475	FWMMBNXUFPLSAW-UHFFFAOYSA-N	0	363.395	FC	0.158	0	Clean	ref	FCCARN	COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCC(N)=O	 
Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000001148287	32/58/59/210325859	JXPUAEGUABUULM-RIYZIHGNSA-N	0	360.395	FC	0.922	1	Clean	mid	FCCAMN	Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	 
Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000001148287	32/58/53/210325853	JXPUAEGUABUULM-RIYZIHGNSA-N	-1	360.395	FC	0.922	0	Clean	ref	FCCARM	Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	 
CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCC	ZINC000001184314	33/23/29/210332329	MWQMJNDNGPYTHC-UHFFFAOYSA-N	0	362.338	FC	0.777	1	Clean	mid	FCCAMN	CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCC	 
CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCC	ZINC000001184314	33/23/22/210332322	MWQMJNDNGPYTHC-UHFFFAOYSA-N	-1	362.338	FC	0.777	0	Clean	ref	FCCARM	CCOC(=O)COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OCC	 
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc1OC	ZINC000001202151	46/99/44/487469944	ZZUZYUIFCODECY-YRNVUSSQSA-N	0	362.338	FC	0.729	1	Clean	mid	FCCAMN	CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc1OC	 
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc1OC	ZINC000001202151	46/99/43/487469943	ZZUZYUIFCODECY-YRNVUSSQSA-N	-1	362.338	FC	0.729	0	Clean	ref	FCCARM	CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)cc1OC	 
O=C(O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	ZINC000002303519	03/29/18/204032918	WZGHXEZBJANHMZ-UHFFFAOYSA-N	-2	369.127	FC	0.662	1	Clean	mid	FCCAML	O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br	 
O=C(O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	ZINC000002303519	03/29/14/204032914	WZGHXEZBJANHMZ-UHFFFAOYSA-N	-2	369.127	FC	0.662	1	Clean	mid	FCCAML	O=C([O-])COc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br	 
O=C(O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	ZINC000002303519	03/29/08/204032908	WZGHXEZBJANHMZ-UHFFFAOYSA-N	-1	369.127	FC	0.662	1	Clean	mid	FCCAMM	O=C([O-])COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	 
O=C(O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	ZINC000002303519	03/29/02/204032902	WZGHXEZBJANHMZ-UHFFFAOYSA-N	-2	369.127	FC	0.662	0	Clean	ref	FCCARL	O=C([O-])COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br	 
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCC(=O)O	ZINC000004351356	47/73/77/487477377	XMJJSAGMVFAWLE-UHFFFAOYSA-N	-1	362.338	FC	0.983	0	Clean	ref	FCCARM	CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCC(=O)[O-]	 
CCN1C(=O)C(=Cc2ccc(OCC(N)=O)cc2)C(=O)N(CC)C1=S	ZINC000004545136	47/88/05/487478805	PZSFZLIVGMMCLC-UHFFFAOYSA-N	0	361.423	FC	0.93	0	Clean	ref	FCCARN	CCN1C(=O)C(=Cc2ccc(OCC(N)=O)cc2)C(=O)N(CC)C1=S	 
C=CCc1cc(C=C2C(=O)NC(=O)NC2=O)cc(OC)c1OCC(=O)O	ZINC000004643893	48/08/28/487480828	RXLUERSUMJJSBK-UHFFFAOYSA-N	-1	360.322	FC	0.636	1	Mild	mid	FCEAMM	C=CCc1cc(C=C2C(=O)NC(=O)NC2=O)cc(OC)c1OCC(=O)[O-]	 
C=CCc1cc(C=C2C(=O)NC(=O)NC2=O)cc(OC)c1OCC(=O)O	ZINC000004643893	48/08/26/487480826	RXLUERSUMJJSBK-UHFFFAOYSA-N	-2	360.322	FC	0.636	0	Mild	ref	FCEARL	C=CCc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(OC)c1OCC(=O)[O-]	 
COC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(N)=O)cc2)C1=O	ZINC000004694767	55/41/62/210554162	IDJPXNRCNCATBT-IZZDOVSWSA-N	0	350.352	FC	0.76	0	Anodyne	ref	FCAARN	COC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(N)=O)cc2)C1=O	 
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1O[C@@H](C)C(=O)O	ZINC000004725166	04/12/67/207041267	TXUNSCVBQOUELZ-QMMMGPOBSA-N	-2	364.379	FC	0.851	1	Clean	mid	FCCAML	CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1O[C@@H](C)C(=O)[O-]	 
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1O[C@@H](C)C(=O)O	ZINC000004725166	04/12/61/207041261	TXUNSCVBQOUELZ-QMMMGPOBSA-N	-1	364.379	FC	0.851	0	Clean	ref	FCCARM	CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1O[C@@H](C)C(=O)[O-]	 
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1O[C@H](C)C(=O)O	ZINC000004725167	47/99/71/487479971	TXUNSCVBQOUELZ-MRVPVSSYSA-N	-2	364.379	FC	0.851	1	Clean	mid	FCCAML	CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1O[C@H](C)C(=O)[O-]	 
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1O[C@H](C)C(=O)O	ZINC000004725167	47/99/66/487479966	TXUNSCVBQOUELZ-MRVPVSSYSA-N	-1	364.379	FC	0.851	0	Clean	ref	FCCARM	CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1O[C@H](C)C(=O)[O-]	 
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)O	ZINC000004755244	47/99/78/487479978	LCYXGYOIDRNFKP-UHFFFAOYSA-N	-2	350.352	FC	0.463	1	Clean	mid	FCCAML	CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)[O-]	 
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)O	ZINC000004755244	47/99/73/487479973	LCYXGYOIDRNFKP-UHFFFAOYSA-N	-1	350.352	FC	0.463	0	Clean	ref	FCCARM	CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)[O-]	 
COc1ccc([C@H]2[C@@H](C(N)=O)C(=O)N[C@@](O)(c3ccccc3)[C@H]2C#N)cc1	ZINC000004832450	16/75/57/204167557	DSWJQHRZDJVBDE-PFRQMTDMSA-N	0	365.389	FC	0.995	0	Mild	ref	FCEARN	COc1ccc([C@H]2[C@@H](C(N)=O)C(=O)N[C@@](O)(c3ccccc3)[C@H]2C#N)cc1	 
COc1ccc([C@@H]2[C@@H](C(N)=O)C(=O)N[C@@](O)(c3ccccc3)[C@H]2C#N)cc1	ZINC000004832454	05/31/28/207053128	DSWJQHRZDJVBDE-OGNFBWPZSA-N	0	365.389	FC	0.995	0	Mild	ref	FCEARN	COc1ccc([C@@H]2[C@@H](C(N)=O)C(=O)N[C@@](O)(c3ccccc3)[C@H]2C#N)cc1	 
COc1ccc([C@H]2[C@@H](C(N)=O)C(=O)N[C@@](O)(c3ccccc3)[C@@H]2C#N)cc1	ZINC000004832457	05/28/66/207052866	DSWJQHRZDJVBDE-PDOICOKGSA-N	0	365.389	FC	0.995	0	Mild	ref	FCEARN	COc1ccc([C@H]2[C@@H](C(N)=O)C(=O)N[C@@](O)(c3ccccc3)[C@@H]2C#N)cc1	 
COc1ccc([C@@H]2[C@@H](C(N)=O)C(=O)N[C@@](O)(c3ccccc3)[C@@H]2C#N)cc1	ZINC000004832459	16/81/66/204168166	DSWJQHRZDJVBDE-NHAYFPRASA-N	0	365.389	FC	0.995	0	Mild	ref	FCEARN	COc1ccc([C@@H]2[C@@H](C(N)=O)C(=O)N[C@@](O)(c3ccccc3)[C@@H]2C#N)cc1	 
COC(=O)CN1C(=O)N/C(=C/c2cn(CC(=O)OC)c3ccccc23)C1=O	ZINC000004933195	06/35/61/207063561	KJFKTUQKRSPVCY-NTUHNPAUSA-N	0	371.349	FC	0.88	0	Anodyne	ref	FCAARN	COC(=O)CN1C(=O)N/C(=C/c2cn(CC(=O)OC)c3ccccc23)C1=O	 
COC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCOCC3)c(C)c2)C1=O	ZINC000004933203	48/34/83/487483483	CUKOHNUQVXLJMK-GXDHUFHOSA-N	0	359.382	FC	0.897	0	Clean	ref	FCCARN	COC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCOCC3)c(C)c2)C1=O	 
COC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O	ZINC000005006579	07/07/82/207070782	BCDLWVIIGLFYAH-BJMVGYQFSA-N	0	350.327	FC	0.778	0	Anodyne	ref	FCAARN	COC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O	 
CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1	ZINC000005006616	48/51/24/487485124	CDGMFUNFOHSRDF-MDWZMJQESA-N	0	362.338	FC	0.694	0	Anodyne	ref	FCAARN	CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1	 
COC(=O)CN1C(=O)N/C(=C/c2ccc(OC)c(OC)c2OC)C1=O	ZINC000005006684	59/06/89/210590689	YPHFLAHGVJBKFA-JXMROGBWSA-N	0	350.327	FC	0.778	0	Anodyne	ref	FCAARN	COC(=O)CN1C(=O)N/C(=C/c2ccc(OC)c(OC)c2OC)C1=O	 
COC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OC)cc2OC)C1=O	ZINC000005006686	48/49/65/487484965	BJEOEPAEFIUGSV-BJMVGYQFSA-N	0	350.327	FC	0.778	0	Anodyne	ref	FCAARN	COC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OC)cc2OC)C1=O	 
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1O[C@@H](C)C(=O)O	ZINC000008220396	22/35/48/207223548	BIMGELWPYHVGFE-QMEHYBMDSA-N	-2	364.379	FC	0.804	1	Clean	mid	FCCAML	COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	 
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1O[C@@H](C)C(=O)O	ZINC000008220396	22/35/44/207223544	BIMGELWPYHVGFE-QMEHYBMDSA-N	-1	364.379	FC	0.804	0	Clean	ref	FCCARM	COc1cc(C=C2C(=O)NC(=S)N(C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	 
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1O[C@H](C)C(=O)O	ZINC000008262080	32/42/70/204324270	BIMGELWPYHVGFE-VSBFRKNKSA-N	-2	364.379	FC	0.804	1	Clean	mid	FCCAML	COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)ccc1O[C@H](C)C(=O)[O-]	 
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1O[C@H](C)C(=O)O	ZINC000008262080	32/42/67/204324267	BIMGELWPYHVGFE-VSBFRKNKSA-N	-2	364.379	FC	0.804	0	Clean	ref	FCCARL	COc1cc(C=C2C(=O)NC(=S)N(C)C2=O)ccc1O[C@H](C)C(=O)[O-]	 
COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000015016894	57/54/90/487575490	RKDNXCGXOJXBQI-GFCCVEGCSA-N	0	360.286	FC	0.772	1	Bother	mid	FCBAMN	COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	 
COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000015016894	57/54/83/487575483	RKDNXCGXOJXBQI-GFCCVEGCSA-N	0	360.286	FC	0.772	0	Bother	ref	FCBARN	COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	 
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000015016895	14/16/74/220141674	RKDNXCGXOJXBQI-LBPRGKRZSA-N	0	360.286	FC	0.772	1	Bother	mid	FCBAMN	COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	 
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000015016895	14/16/73/220141673	RKDNXCGXOJXBQI-LBPRGKRZSA-N	0	360.286	FC	0.772	0	Bother	ref	FCBARN	COC(=O)C1C(C)=Nc2nnnn2[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	 
Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1nccs1	ZINC000019799180	05/57/68/527055768	CUHPZVXJDSGLNP-UHFFFAOYSA-N	0	354.461	FC	0.835	0	Anodyne	ref	FCAARN	Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1nccs1	 
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/NCCCN1CCOCC1	ZINC000019831070	04/83/89/527048389	YBAJDEKMKDMERI-SDNWHVSQSA-N	1	362.386	FC	0.054	2	Clean	low	FCCALO	O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNCCC[NH+]1CCOCC1	 
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/NCCCN1CCOCC1	ZINC000019831070	04/83/84/527048384	YBAJDEKMKDMERI-SDNWHVSQSA-N	-1	362.386	FC	0.054	1	Clean	mid	FCCAMM	O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNCCCN1CCOCC1	 
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/NCCCN1CCOCC1	ZINC000019831070	04/83/78/527048378	YBAJDEKMKDMERI-SDNWHVSQSA-N	0	362.386	FC	0.054	0	Clean	ref	FCCARN	O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNCCC[NH+]1CCOCC1	 
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc([N+](=O)[O-])c1O	ZINC000036142715	79/99/38/487799938	KZCQVGBNIZXOJL-UHFFFAOYSA-N	0	351.34	FC	0.908	1	Clean	mid	FCCAMN	COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc([N+](=O)[O-])c1O	 
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc([N+](=O)[O-])c1O	ZINC000036142715	79/99/30/487799930	KZCQVGBNIZXOJL-UHFFFAOYSA-N	-1	351.34	FC	0.908	0	Clean	ref	FCCARM	COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	 
O=C1NC(=S)N/C1=C1\C(=O)Nc2ccc(I)cc21	ZINC000100419302	49/41/53/488494153	FBVOFDKMEIWGJU-FPLPWBNLSA-N	-1	371.159	FC	0.959	1	Anodyne	mid	FCAAMM	O=C1[N-]C(=S)NC1=C1C(=O)Nc2ccc(I)cc21	 
O=C1NC(=S)N/C1=C1\C(=O)Nc2ccc(I)cc21	ZINC000100419302	49/41/50/488494150	FBVOFDKMEIWGJU-FPLPWBNLSA-N	0	371.159	FC	0.959	0	Anodyne	ref	FCAARN	O=C1NC(=S)NC1=C1C(=O)Nc2ccc(I)cc21	 
NC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1	ZINC000100987019	49/44/58/488494458	SWGSNYQISNHHMF-MDWZMJQESA-N	0	354.322	FC	0.953	1	Clean	mid	FCCAMN	NC(=O)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1	 
NC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1	ZINC000100987019	49/44/53/488494453	SWGSNYQISNHHMF-MDWZMJQESA-N	-1	354.322	FC	0.953	0	Clean	ref	FCCARM	NC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	 
COc1ccc([C@H]2[C@@H](C#N)[C@](O)(c3ccccc3)NC(=O)[C@H]2C(N)=O)cc1	ZINC000239297087	27/49/68/525274968	DSWJQHRZDJVBDE-AXVVYFOYSA-N	0	365.389	FC	0.995	0	Mild	ref	FCEARN	COc1ccc([C@H]2[C@@H](C#N)[C@](O)(c3ccccc3)NC(=O)[C@H]2C(N)=O)cc1	 
COc1ccc([C@@H]2[C@H](C(N)=O)C(=O)N[C@](O)(c3ccccc3)[C@H]2C#N)cc1	ZINC000239297088	43/47/98/525434798	DSWJQHRZDJVBDE-LJCCNALRSA-N	0	365.389	FC	0.995	0	Mild	ref	FCEARN	COc1ccc([C@@H]2[C@H](C(N)=O)C(=O)N[C@](O)(c3ccccc3)[C@H]2C#N)cc1	 
COc1ccc([C@@H]2[C@H](C(N)=O)C(=O)N[C@@](O)(c3ccccc3)[C@H]2C#N)cc1	ZINC000239297089	43/46/95/525434695	DSWJQHRZDJVBDE-MIALQEHNSA-N	0	365.389	FC	0.995	0	Mild	ref	FCEARN	COc1ccc([C@@H]2[C@H](C(N)=O)C(=O)N[C@@](O)(c3ccccc3)[C@H]2C#N)cc1	 
COc1ccc([C@H]2[C@@H](C#N)[C@@](O)(c3ccccc3)NC(=O)[C@H]2C(N)=O)cc1	ZINC000239297090	27/46/20/525274620	DSWJQHRZDJVBDE-YZLZLFLDSA-N	0	365.389	FC	0.995	0	Mild	ref	FCEARN	COc1ccc([C@H]2[C@@H](C#N)[C@@](O)(c3ccccc3)NC(=O)[C@H]2C(N)=O)cc1	 
CSC1=NC(=O)C2=c3cc(Br)ccc3=NC(C)(C)N2N1	ZINC000588224993	74/23/98/491742398	FPXVHIOHJPCTBM-UHFFFAOYSA-N	0	353.245	FC	0.992	0	Anodyne	ref	FCABRN	CSC1=NC(=O)C2=c3cc(Br)ccc3=NC(C)(C)N2N1	 
CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](C)N2N1	ZINC000588225040	74/24/08/491742408	JBSNAKKJSYVLLN-SSDOTTSWSA-N	0	353.245	FC	0.992	0	Anodyne	ref	FCABRN	CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](C)N2N1	 
CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](C)N2N1	ZINC000588225041	74/25/10/491742510	JBSNAKKJSYVLLN-ZETCQYMHSA-N	0	353.245	FC	0.992	0	Anodyne	ref	FCABRN	CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](C)N2N1	 
CSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc([N+](=O)[O-])o3)N2N1	ZINC000588225086	74/25/03/491742503	NTVIVQWQXIRPJA-CYBMUJFWSA-N	0	357.351	FC	0.694	0	Bother	ref	FCBBRN	CSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc([N+](=O)[O-])o3)N2N1	 
CSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc([N+](=O)[O-])o3)N2N1	ZINC000588225087	74/23/92/491742392	NTVIVQWQXIRPJA-ZDUSSCGKSA-N	0	357.351	FC	0.694	0	Bother	ref	FCBBRN	CSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc([N+](=O)[O-])o3)N2N1	 
CC[C@H]1N=c2ccc(Br)cc2=C2C(=O)N=C(SC)NN21	ZINC000588225714	74/24/90/491742490	RIIGFNIEFSEPQK-JTQLQIEISA-N	0	353.245	FC	0.992	0	Anodyne	ref	FCABRN	CC[C@H]1N=c2ccc(Br)cc2=C2C(=O)N=C(SC)NN21	 
CC[C@@H]1N=c2ccc(Br)cc2=C2C(=O)N=C(SC)NN21	ZINC000588225715	74/25/33/491742533	RIIGFNIEFSEPQK-SNVBAGLBSA-N	0	353.245	FC	0.992	0	Anodyne	ref	FCABRN	CC[C@@H]1N=c2ccc(Br)cc2=C2C(=O)N=C(SC)NN21	 
CSC1=NC(=O)C2=c3ccccc3=N[C@H](C(=O)c3ccccc3)N2N1	ZINC000588226109	74/25/25/491742525	IQRLYNCALISLBA-INIZCTEOSA-N	0	350.403	FC	0.703	2	Anodyne	low	FCABLN	CSC1=NC(=O)C2=c3ccccc3=NC(=C(O)c3ccccc3)N2N1	 
CSC1=NC(=O)C2=c3ccccc3=N[C@H](C(=O)c3ccccc3)N2N1	ZINC000588226109	74/25/24/491742524	IQRLYNCALISLBA-INIZCTEOSA-N	-1	350.403	FC	0.703	0	Anodyne	ref	FCABRM	CSC1=NC(=O)C2=c3ccccc3=NC(=C([O-])c3ccccc3)N2N1	 
CSC1=NC(=O)C2=c3ccccc3=N[C@@H](C(=O)c3ccccc3)N2N1	ZINC000588226110	74/24/19/491742419	IQRLYNCALISLBA-MRXNPFEDSA-N	0	350.403	FC	0.703	2	Anodyne	low	FCABLN	CSC1=NC(=O)C2=c3ccccc3=NC(=C(O)c3ccccc3)N2N1	 
CSC1=NC(=O)C2=c3ccccc3=N[C@@H](C(=O)c3ccccc3)N2N1	ZINC000588226110	74/24/17/491742417	IQRLYNCALISLBA-MRXNPFEDSA-N	-1	350.403	FC	0.703	0	Anodyne	ref	FCABRM	CSC1=NC(=O)C2=c3ccccc3=NC(=C([O-])c3ccccc3)N2N1	 
CSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc4c(c3)OCO4)N2N1	ZINC000588226561	74/25/78/491742578	WWIUDTTZBKANGI-INIZCTEOSA-N	0	366.402	FC	0.921	0	Anodyne	ref	FCABRN	CSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc4c(c3)OCO4)N2N1	 
CSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc4c(c3)OCO4)N2N1	ZINC000588226562	74/28/60/491742860	WWIUDTTZBKANGI-MRXNPFEDSA-N	0	366.402	FC	0.921	0	Anodyne	ref	FCABRN	CSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc4c(c3)OCO4)N2N1