smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(/C=C\C(=O)c2c([O-])cc(C)oc2=O)cnn1C(C)C	ZINC000096854306	185389870	/nfs/dbraw/zinc/38/98/70/185389870.db2.gz	BJKYDMBEJCLYBQ-WAYWQWQTSA-N	-1	0	302.330	2.636	30	30		DFECRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1	ZINC000089985524	185274778	/nfs/dbraw/zinc/27/47/78/185274778.db2.gz	VXGBGQKYECQBRT-CLTKARDFSA-N	-1	0	308.281	2.712	30	30		DFECRM
O=C([N-]S(=O)(=O)Cc1ccccc1Cl)c1ccccn1	ZINC000083791363	527197024	/nfs/dbraw/zinc/19/70/24/527197024.db2.gz	OXDWJUXAJLVKIN-UHFFFAOYSA-N	-1	0	310.762	2.570	30	30		DFECRM
COc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1	ZINC000585658509	398440194	/nfs/dbraw/zinc/44/01/94/398440194.db2.gz	WFUGJHWNAVVKGT-UHFFFAOYSA-N	-1	0	311.366	2.576	30	30		DFECRM
Cc1ccc(S(=O)([O-])=NC(=S)NC2[C@@H]3CCCC[C@H]23)cc1	ZINC000020368269	425792438	/nfs/dbraw/zinc/79/24/38/425792438.db2.gz	UINKGPDULZZLAK-PBWFPOADSA-N	-1	0	324.471	2.748	30	30		DFECRM
Cc1cccc(C(=O)[N-]S(=O)(=O)CCCC#N)c1Cl	ZINC000097034386	426441007	/nfs/dbraw/zinc/44/10/07/426441007.db2.gz	ZOHAAFBIMWOHEA-UHFFFAOYSA-N	-1	0	300.767	2.587	30	30		DFECRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1ncccc1C(F)(F)F	ZINC000097113042	426450699	/nfs/dbraw/zinc/45/06/99/426450699.db2.gz	OTOCJGKBPWXPQK-UHFFFAOYSA-N	-1	0	324.324	2.923	30	30		DFECRM
CC1=NC(=O)C(=NNc2ccccc2)N1c1ccccc1C(=O)[O-]	ZINC000005791679	181284290	/nfs/dbraw/zinc/28/42/90/181284290.db2.gz	DGLNQOPYZKDSEK-HMMYKYKNSA-N	-1	0	322.324	2.575	30	30		DFECRM
CC(=O)Oc1sc(NC(=O)c2ccccc2[O-])c(C#N)c1C	ZINC000000381888	425557784	/nfs/dbraw/zinc/55/77/84/425557784.db2.gz	SJWWRXPZXSADDW-UHFFFAOYSA-N	-1	0	316.338	2.811	30	30		DFECRM