smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(Oc2ccccc2C(=O)[O-])c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000053294018	563141737	/nfs/dbraw/zinc/14/17/37/563141737.db2.gz	LBRSBMPJWFLCEE-UHFFFAOYSA-N	-2	0	428.853	4.503	1	30		IJEFRL
COc1ccc(C(=O)[O-])cc1/N=C/c1ccc(/C=N/c2cc(C(=O)[O-])ccc2OC)cc1	ZINC000012403158	562981837	/nfs/dbraw/zinc/98/18/37/562981837.db2.gz	SENNYYKNRRDCDR-BKHCZYBLSA-N	-2	0	432.432	4.601	1	30		IJEFRL
CCCCCCCC(=O)N[C@H](COP(=O)([O-])[O-])c1cccc(OC2CCCC2)c1	ZINC000043450382	563120434	/nfs/dbraw/zinc/12/04/34/563120434.db2.gz	HQICHEFECSWXCX-HXUWFJFHSA-N	-2	0	427.478	4.635	1	30		IJEFRL
COc1ccc(/C=C/C(=O)c2cc(C(=O)/C=C/c3ccc(OC)cc3)c([O-])cc2[O-])cc1	ZINC000008844394	562965163	/nfs/dbraw/zinc/96/51/63/562965163.db2.gz	QUCBLZKLQXSLJV-FNCQTZNRSA-N	-2	0	430.456	4.907	1	30		IJEFRL
Cc1cc(-c2ccc(F)c(C)c2)c(C#C[P@](=O)([O-])C[C@@H](O)CC(=O)[O-])c(C(C)C)c1	ZINC000026746420	563036406	/nfs/dbraw/zinc/03/64/06/563036406.db2.gz	BTPMHWXFDNQTPP-SFHVURJKSA-N	-2	0	432.428	4.648	1	30		IJEFRL
C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(OC)c(C(=O)C(=O)c2ccc(O)cc2[O-])c1[O-]	ZINC000014711591	563014795	/nfs/dbraw/zinc/01/47/95/563014795.db2.gz	NYHVTLRKAYFBIT-OAHLLOKOSA-N	-2	0	440.492	4.674	1	30		IJEFRL
CC(C)(C)C1CCC(C=C2C(=O)c3ccccc3C(=O)C2OCOP(=O)([O-])[O-])CC1	ZINC000003937340	562939507	/nfs/dbraw/zinc/93/95/07/562939507.db2.gz	XQROUHVJZFCDQW-UHFFFAOYSA-N	-2	0	436.441	4.646	1	30		IJEFRL
CC(C)c1cc(-c2ccc(F)cc2)c(C#C[P@](=O)([O-])C[C@H](O)CC(=O)[O-])c(C(C)C)n1	ZINC000026716306	563035512	/nfs/dbraw/zinc/03/55/12/563035512.db2.gz	MXJTZOXWRYQDDC-GOSISDBHSA-N	-2	0	447.443	4.550	1	30		IJEFRL
COc1cccc(/C=C/C(=O)c2cc(C(=O)/C=C/c3cccc(OC)c3)c([O-])cc2[O-])c1	ZINC000073386552	563172654	/nfs/dbraw/zinc/17/26/54/563172654.db2.gz	ZUUHRTRXDUHIDR-WGDLNXRISA-N	-2	0	430.456	4.907	1	30		IJEFRL
CCCCCCCC(=O)N[C@@H](COP(=O)([O-])[O-])c1cccc(OC2CCCC2)c1	ZINC000043450380	563120416	/nfs/dbraw/zinc/12/04/16/563120416.db2.gz	HQICHEFECSWXCX-FQEVSTJZSA-N	-2	0	427.478	4.635	1	30		IJEFRL
C=C(C)[C@@H](CC=C(C)C)Cc1c(O)cc(OC)c(C(=O)C(=O)c2ccc(O)cc2[O-])c1[O-]	ZINC000014711594	563014814	/nfs/dbraw/zinc/01/48/14/563014814.db2.gz	NYHVTLRKAYFBIT-HNNXBMFYSA-N	-2	0	440.492	4.674	1	30		IJEFRL