smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCn1c(=O)c(=Cc2cc(Br)c([O-])c(Br)c2)sc1=C(C#N)C(=O)NCCCOC	ZINC000514295352	1066243018	/nfs/dbraw/zinc/24/30/18/1066243018.db2.gz	AAYWQOWGQNJICF-UHFFFAOYSA-N	-1	0	559.280	2.206	20	30		KEEDRM
COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c([O-])c(Br)c2)c(=O)n1CC(C)C	ZINC000514298274	1066252165	/nfs/dbraw/zinc/25/21/65/1066252165.db2.gz	YSDKRRIGHPCNRT-UHFFFAOYSA-N	-1	0	573.307	2.452	20	30		KEEDRM
C=CCN(CC=C)C(=O)[C@H](CCSC)[N-]S(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC	ZINC000514380375	1066294859	/nfs/dbraw/zinc/29/48/59/1066294859.db2.gz	IZXZJCFMKFAUJO-AWEZNQCLSA-N	-1	0	504.652	2.230	20	30		KEEDRM
C=CCN(CC=C)C(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC	ZINC000514380376	1066294921	/nfs/dbraw/zinc/29/49/21/1066294921.db2.gz	IZXZJCFMKFAUJO-CQSZACIVSA-N	-1	0	504.652	2.230	20	30		KEEDRM
CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c([O-])c(Br)c2)c(=O)n1C[C@@H]1CCCO1	ZINC000514381590	1066203769	/nfs/dbraw/zinc/20/37/69/1066203769.db2.gz	KCCCXNVZORHARS-HNNXBMFYSA-N	-1	0	615.344	2.365	20	30		KEEDRM
CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c([O-])c(Br)c2)c(=O)n1C[C@H]1CCCO1	ZINC000514381591	1066325866	/nfs/dbraw/zinc/32/58/66/1066325866.db2.gz	KCCCXNVZORHARS-OAHLLOKOSA-N	-1	0	615.344	2.365	20	30		KEEDRM
CCOC(=O)[C@@H]1CC[C@H](Oc2c3c(c(C(C)=O)c(O)c2C)OC2=CC(=O)C(C(C)=O)=C([O-])[C@]32C)CO1	ZINC001233567284	1066428507	/nfs/dbraw/zinc/42/85/07/1066428507.db2.gz	BHSSOKHMYUCLCX-IGAWSHEKSA-N	-1	0	500.500	2.284	20	30		KEEDRM
CCOC(=O)[C@@H]1CC[C@H](Oc2c3c(c(C(C)=O)c(O)c2C)OC2=CC(=O)C(C(C)=O)=C([O-])[C@@]32C)CO1	ZINC001233567295	1066428245	/nfs/dbraw/zinc/42/82/45/1066428245.db2.gz	BHSSOKHMYUCLCX-KAUISLPUSA-N	-1	0	500.500	2.284	20	30		KEEDRM
CCOC(=O)[C@@H]1CC[C@H](Oc2c3c(c(C(C)=O)c(O)c2C)OC2=CC(=O)C(C(C)=O)=C([O-])[C@]32C)CO1	ZINC001233567296	1066428388	/nfs/dbraw/zinc/42/83/88/1066428388.db2.gz	BHSSOKHMYUCLCX-KGTZKKPUSA-N	-1	0	500.500	2.284	20	30		KEEDRM
CCOC(=O)[C@@H]1CC[C@H](Oc2c3c(c(C(C)=O)c(O)c2C)OC2=CC(=O)C(C(C)=O)=C([O-])[C@@]32C)CO1	ZINC001233567297	1066428520	/nfs/dbraw/zinc/42/85/20/1066428520.db2.gz	BHSSOKHMYUCLCX-YQJQBTSBSA-N	-1	0	500.500	2.284	20	30		KEEDRM