smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000059333654	263989318	/nfs/dbraw/zinc/98/93/18/263989318.db2.gz	JGPSOWBPPWAYFC-LCYFTJDESA-N	-1	0	310.309	2.640	40	50		DFGBRM
N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1)C(N)=O	ZINC000000052927	264016858	/nfs/dbraw/zinc/01/68/58/264016858.db2.gz	CZUKDYJWCLEQIC-WEVVVXLNSA-N	-1	0	316.700	2.690	40	50		DFGBRM
N#C/C(=C\c1ccc([O-])c(Br)c1)C(=O)N1CCCC1	ZINC000016438261	264018194	/nfs/dbraw/zinc/01/81/94/264018194.db2.gz	OFWCACKAVFVBSC-YRNVUSSQSA-N	-1	0	321.174	2.684	40	50		DFGBRM
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc([O-])c(Br)c1	ZINC000408805461	266360118	/nfs/dbraw/zinc/36/01/18/266360118.db2.gz	KGJOQRWBXOKDCV-VKRGWIQLSA-N	-1	0	323.190	2.976	40	50		DFGBRM
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)[O-])c2)c1	ZINC000408543692	266879205	/nfs/dbraw/zinc/87/92/05/266879205.db2.gz	QEJUMKXKWYHIJM-ZSOIEALJSA-N	-1	0	322.320	2.939	40	50		DFGBRM
N#C/C(=C/c1ccc(OCC(=O)[O-])cc1)c1ccc2c(c1)OCO2	ZINC000409366420	269941897	/nfs/dbraw/zinc/94/18/97/269941897.db2.gz	UYMLOVFLYXHLGY-AUWJEWJLSA-N	-1	0	323.304	2.943	40	50		DFGBRM
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1C(=O)[O-]	ZINC000083318445	269997259	/nfs/dbraw/zinc/99/72/59/269997259.db2.gz	ILUMMXIKZIXCQV-LCYFTJDESA-N	-1	0	322.320	2.939	40	50		DFGBRM
N#C/C(=C\c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1)C(N)=O	ZINC000409336337	267882096	/nfs/dbraw/zinc/88/20/96/267882096.db2.gz	NOFZZZRFIYFWRJ-WEVVVXLNSA-N	-1	0	316.700	2.690	40	50		DFGBRM
N#CC1=C(N)NC([S-])=C(C#N)[C@@H]1c1ccccc1C(F)(F)F	ZINC000012375413	264021292	/nfs/dbraw/zinc/02/12/92/264021292.db2.gz	PKCDBUMEXVAERY-LLVKDONJSA-N	-1	0	322.315	2.751	40	50		DFGBRM
N#C/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)C(=O)NC1CCCCC1	ZINC000040889394	264015758	/nfs/dbraw/zinc/01/57/58/264015758.db2.gz	OEILGQLKCQXIOZ-WQLSENKSSA-N	-1	0	315.329	2.656	40	50		DFGBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)N(C)C)o1	ZINC000408855396	269911093	/nfs/dbraw/zinc/91/10/93/269911093.db2.gz	CWFZQEXBPBTWAP-LCYFTJDESA-N	-1	0	324.336	2.948	40	50		DFGBRM
Cc1ccc(-c2nn(CCC(=O)[O-])cc2C=C(C#N)C#N)cc1	ZINC000000804863	264008335	/nfs/dbraw/zinc/00/83/35/264008335.db2.gz	YLUCZTJNQILATB-UHFFFAOYSA-N	-1	0	306.325	2.764	40	50		DFGBRM
COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2C(=O)[O-])cc1	ZINC000223165003	269785000	/nfs/dbraw/zinc/78/50/00/269785000.db2.gz	BLFXWDUXCGEJBS-RAXLEYEMSA-N	-1	0	322.320	2.939	40	50		DFGBRM
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC000013345026	264000975	/nfs/dbraw/zinc/00/09/75/264000975.db2.gz	ZEQVRBNVVACWND-JLHYYAGUSA-N	-1	0	322.320	2.939	40	50		DFGBRM
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000033695609	264001082	/nfs/dbraw/zinc/00/10/82/264001082.db2.gz	HMKAIGNUWIULQT-ZROIWOOFSA-N	-1	0	322.320	2.939	40	50		DFGBRM
N#CC(C#N)=Cc1ccc(-c2ccc(S(=O)(=O)[O-])cc2)o1	ZINC000005045631	264020664	/nfs/dbraw/zinc/02/06/64/264020664.db2.gz	UKJHFWBHMPYYFI-UHFFFAOYSA-N	-1	0	300.295	2.624	40	50		DFGBRM
N#C/C(=C\c1cccc(OCC(=O)[O-])c1)C(=O)Nc1ccccc1	ZINC000408923468	267908437	/nfs/dbraw/zinc/90/84/37/267908437.db2.gz	IQLNUMHXJWRISA-NTEUORMPSA-N	-1	0	322.320	2.696	40	50		DFGBRM
N#CC1=C(N)NC([S-])=C(C#N)[C@H]1c1ccccc1C(F)(F)F	ZINC000012375414	264021421	/nfs/dbraw/zinc/02/14/21/264021421.db2.gz	PKCDBUMEXVAERY-NSHDSACASA-N	-1	0	322.315	2.751	40	50		DFGBRM
N#C/C(=C\c1cc(Cl)ccc1[O-])C(=O)NCc1ccco1	ZINC000001100169	264016803	/nfs/dbraw/zinc/01/68/03/264016803.db2.gz	ADPAGDRCSWPEGR-IZZDOVSWSA-N	-1	0	302.717	2.862	40	50		DFGBRM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C(/C#N)C(=O)N(C)C)o1	ZINC000015225503	264007010	/nfs/dbraw/zinc/00/70/10/264007010.db2.gz	RCEILGPJESSNCG-XFXZXTDPSA-N	-1	0	324.336	2.948	40	50		DFGBRM
N#C/C(=C/c1ccccc1C(=O)[O-])C(=O)NCCc1ccccc1	ZINC000040889442	264016358	/nfs/dbraw/zinc/01/63/58/264016358.db2.gz	SBJGFSYODQEWCK-VBKFSLOCSA-N	-1	0	320.348	2.651	40	50		DFGBRM
N#C/C(=C\c1ccc(-c2ccc(C(=O)[O-])cc2)o1)C(=O)NC1CC1	ZINC000011289573	264016681	/nfs/dbraw/zinc/01/66/81/264016681.db2.gz	GLGLOLVTDADHNG-UKTHLTGXSA-N	-1	0	322.320	2.830	40	50		DFGBRM