smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)co1	ZINC000159779433	488787371	/nfs/dbraw/zinc/78/73/71/488787371.db2.gz	FWVBRNRXNLIGGQ-LLVKDONJSA-N	-1	1	370.349	0.963	20	70		FCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@H](O)C(F)(F)F)CC2)co1	ZINC000159779291	488787493	/nfs/dbraw/zinc/78/74/93/488787493.db2.gz	FWVBRNRXNLIGGQ-NSHDSACASA-N	-1	1	370.349	0.963	20	70		FCIDMM
COc1cc(CNC(=O)c2nc(=O)[n-][nH]2)cc(Br)c1OC	ZINC000160317053	488790472	/nfs/dbraw/zinc/79/04/72/488790472.db2.gz	WZQPTIGCDJGRJB-UHFFFAOYSA-N	-1	1	357.164	0.808	20	70		FCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H](O)Cc2ccccc2)co1	ZINC000161023937	488794764	/nfs/dbraw/zinc/79/47/64/488794764.db2.gz	ATCPOLXCHCXUSR-SMDDNHRTSA-N	-1	1	352.412	0.910	20	70		FCIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CCN(c2ccccn2)C1	ZINC000161433326	488796981	/nfs/dbraw/zinc/79/69/81/488796981.db2.gz	RIYUWDXJTOKKGH-CQSZACIVSA-N	-1	1	366.425	0.972	20	70		FCIDMM
Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)s1	ZINC000159643873	488786556	/nfs/dbraw/zinc/78/65/56/488786556.db2.gz	LJDUCCLPIOGABZ-SECBINFHSA-N	-1	1	357.457	0.363	20	70		FCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)co1	ZINC000161364830	488796361	/nfs/dbraw/zinc/79/63/61/488796361.db2.gz	DDQIZRXSKLPYPY-LLVKDONJSA-N	-1	1	353.404	0.332	20	70		FCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccncc3)CC2)co1	ZINC000160267096	488790647	/nfs/dbraw/zinc/79/06/47/488790647.db2.gz	IDQDCYUEESFSRA-UHFFFAOYSA-N	-1	1	364.427	0.541	20	70		FCIDMM
Cc1ccc(-c2n[nH]c(NC(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)n2)o1	ZINC000160376705	488791121	/nfs/dbraw/zinc/79/11/21/488791121.db2.gz	SHPJRKMBZXXZAH-UHFFFAOYSA-N	-1	1	353.298	0.550	20	70		FCIDMM
CC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(F)cc1F	ZINC000159612162	488786484	/nfs/dbraw/zinc/78/64/84/488786484.db2.gz	WGPBGYJETOSVQC-LBPRGKRZSA-N	-1	1	373.381	0.792	20	70		FCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(Cc3cc(C)no3)CC2)co1	ZINC000160987721	488794445	/nfs/dbraw/zinc/79/44/45/488794445.db2.gz	SYUBCAAAVTVGLB-UHFFFAOYSA-N	-1	1	368.415	0.442	20	70		FCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(c3nccs3)CC2)co1	ZINC000161321736	547387014	/nfs/dbraw/zinc/38/70/14/547387014.db2.gz	XRLWVCFHYQNROY-UHFFFAOYSA-N	-1	1	356.429	0.607	20	70		FCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccn3)CC2)co1	ZINC000160936546	488794018	/nfs/dbraw/zinc/79/40/18/488794018.db2.gz	RCGDBNDXOQRSSH-UHFFFAOYSA-N	-1	1	364.427	0.541	20	70		FCIDMM
Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)s1	ZINC000159644032	488786258	/nfs/dbraw/zinc/78/62/58/488786258.db2.gz	LJDUCCLPIOGABZ-VIFPVBQESA-N	-1	1	357.457	0.363	20	70		FCIDMM
Cn1cnc(S(=O)(=O)[N-]C[C@@H](O)COc2ccc(F)cc2)c1Cl	ZINC000159991487	488788954	/nfs/dbraw/zinc/78/89/54/488788954.db2.gz	VKCQLCWXOOHFDS-SNVBAGLBSA-N	-1	1	363.798	0.931	20	70		FCIDMM
Cn1cnc(S(=O)(=O)[N-]C[C@H](O)COc2ccc(F)cc2)c1Cl	ZINC000159991366	488788990	/nfs/dbraw/zinc/78/89/90/488788990.db2.gz	VKCQLCWXOOHFDS-JTQLQIEISA-N	-1	1	363.798	0.931	20	70		FCIDMM
CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(F)cc1F	ZINC000159612308	488786504	/nfs/dbraw/zinc/78/65/04/488786504.db2.gz	WGPBGYJETOSVQC-GFCCVEGCSA-N	-1	1	373.381	0.792	20	70		FCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H](O)Cc2ccccc2)co1	ZINC000161024060	488794875	/nfs/dbraw/zinc/79/48/75/488794875.db2.gz	ATCPOLXCHCXUSR-BXUZGUMPSA-N	-1	1	352.412	0.910	20	70		FCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](Cn3ccnn3)C2)co1	ZINC000161364707	488796414	/nfs/dbraw/zinc/79/64/14/488796414.db2.gz	DDQIZRXSKLPYPY-NSHDSACASA-N	-1	1	353.404	0.332	20	70		FCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H](O)Cc2ccccc2)co1	ZINC000161024341	488794550	/nfs/dbraw/zinc/79/45/50/488794550.db2.gz	ATCPOLXCHCXUSR-RISCZKNCSA-N	-1	1	352.412	0.910	20	70		FCIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1CCN(c2ccccn2)C1	ZINC000161433443	488796533	/nfs/dbraw/zinc/79/65/33/488796533.db2.gz	RIYUWDXJTOKKGH-AWEZNQCLSA-N	-1	1	366.425	0.972	20	70		FCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H](O)Cc2ccccc2)co1	ZINC000161024215	488794810	/nfs/dbraw/zinc/79/48/10/488794810.db2.gz	ATCPOLXCHCXUSR-FZMZJTMJSA-N	-1	1	352.412	0.910	20	70		FCIDMM