NC(=O)COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1	ZINC000000114636	23/36/38/374233638	LERBSTKHDLUSPN-UHFFFAOYSA-N	-1	305.315	DB	-0.535	1	Clean	mid	DBCAMM	NC(=O)COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1	 
NC(=O)COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1	ZINC000000114636	23/36/19/374233619	LERBSTKHDLUSPN-UHFFFAOYSA-N	0	305.315	DB	-0.535	0	Clean	ref	DBCARN	NC(=O)COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1	 
COC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1	ZINC000002954234	25/72/44/374257244	DRJZANBOOKKVTE-UHFFFAOYSA-N	0	304.258	DB	-0.012	1	Clean	mid	DBCAMN	COC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1	 
COC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1	ZINC000002954234	25/72/28/374257228	DRJZANBOOKKVTE-UHFFFAOYSA-N	-1	304.258	DB	-0.012	0	Clean	ref	DBCARM	COC(=O)COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	 
COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1OCC(=O)O	ZINC000002978254	25/82/04/374258204	SXEUZGZXFWEUPE-UHFFFAOYSA-N	-1	320.257	DB	-0.092	1	Clean	mid	DBCAMM	COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1OCC(=O)[O-]	 
COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1OCC(=O)O	ZINC000002978254	25/81/90/374258190	SXEUZGZXFWEUPE-UHFFFAOYSA-N	-2	320.257	DB	-0.092	0	Clean	ref	DBCARL	COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1OCC(=O)[O-]	 
CN1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)C(=O)NC1=S	ZINC000004723767	14/23/58/181142358	FCMVNMIXBYCWKF-UXBLZVDNSA-N	-1	319.342	DB	-0.193	1	Clean	mid	DBCAMM	CN1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)C(=O)[N-]C1=S	 
CN1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)C(=O)NC1=S	ZINC000004723767	14/23/56/181142356	FCMVNMIXBYCWKF-UXBLZVDNSA-N	0	319.342	DB	-0.193	0	Clean	ref	DBCARN	CN1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)C(=O)NC1=S	 
COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)O	ZINC000005023019	19/15/64/181191564	VITYQFLQXINAEE-UHFFFAOYSA-N	-1	320.257	DB	-0.092	1	Clean	mid	DBCAMM	COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)[O-]	 
COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)O	ZINC000005023019	19/15/63/181191563	VITYQFLQXINAEE-UHFFFAOYSA-N	-2	320.257	DB	-0.092	0	Clean	ref	DBCARL	COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCC(=O)[O-]	 
CN1CCN(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)CC1	ZINC000013546882	89/27/75/273892775	RRMVLPYRJZIHQG-ZRDIBKRKSA-N	-1	318.333	DB	-0.011	3	Clean	high	DBCAHM	CN1CCN(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)CC1	 
CN1CCN(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)CC1	ZINC000013546882	89/27/74/273892774	RRMVLPYRJZIHQG-ZRDIBKRKSA-N	1	318.333	DB	-0.011	1	Clean	mid	DBCAMO	C[NH+]1CCN(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)CC1	 
CN1CCN(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)CC1	ZINC000013546882	89/27/67/273892767	RRMVLPYRJZIHQG-ZRDIBKRKSA-N	0	318.333	DB	-0.011	0	Clean	ref	DBCARN	C[NH+]1CCN(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)CC1	 
O=C1NC(=S)NC(=O)C1=CNc1ccc(O)c(C(=O)O)c1	ZINC000018996556	10/34/13/182103413	WRQNPSVCOMYTLM-UHFFFAOYSA-N	-2	307.287	DB	-0.083	1	Clean	mid	DBCAML	O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1	 
O=C1NC(=S)NC(=O)C1=CNc1ccc(O)c(C(=O)O)c1	ZINC000018996556	10/34/12/182103412	WRQNPSVCOMYTLM-UHFFFAOYSA-N	-1	307.287	DB	-0.083	0	Clean	ref	DBCARM	O=C1NC(=S)NC(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1	 
CCOc1ccc(-n2nc(CO)c(C(=O)NCCO)n2)cc1	ZINC000020869377	25/09/19/182250919	FNNWGVWFIJNWDX-UHFFFAOYSA-N	0	306.322	DB	-0.12	0	Anodyne	ref	DBAARN	CCOc1ccc(-n2nc(CO)c(C(=O)NCCO)n2)cc1