smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cccc2c(C=C3C(=O)[N-]C(=S)N(C)C3=O)cn(CC(N)=O)c21	ZINC000409141681	529549107	/nfs/dbraw/zinc/54/91/07/529549107.db2.gz	BIPHWWXLNDKIJK-QPEQYQDCSA-N	-1	1	370.434	0.946	40	10		FCCBMM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3O)[C@H]2SC1	ZINC001570006108	1269829005	/nfs/dbraw/zinc/82/90/05/1269829005.db2.gz	CUXVKLLSHPANDN-UEKVPHQBSA-N	-1	1	363.395	0.151	40	10		FCCBMM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNCCCN1CCOCC1	ZINC000100642810	206223863	/nfs/dbraw/zinc/22/38/63/206223863.db2.gz	YBAJDEKMKDMERI-KAMYIIQDSA-N	-1	1	362.386	0.054	40	10		FCCBMM
CCOc1cc([N+](=O)[O-])c(C=C2C(=O)[N-]C(=S)NC2=O)cc1OC	ZINC000096193617	674565788	/nfs/dbraw/zinc/56/57/88/674565788.db2.gz	VDAIFWKXSSJMEC-UHFFFAOYSA-N	-1	1	351.340	0.916	40	10		FCCBMM
NC(=O)COc1c(Cl)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Cl	ZINC000409226342	534332856	/nfs/dbraw/zinc/33/28/56/534332856.db2.gz	VEWRDOIROCTYLM-UHFFFAOYSA-N	-1	1	374.205	0.772	40	10		FCCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)ccc1OCC(N)=O	ZINC000408918631	528197318	/nfs/dbraw/zinc/19/73/18/528197318.db2.gz	MXNZTMIBMQQPOH-UXBLZVDNSA-N	-1	1	363.395	0.206	40	10		FCCBMM
COc1cc(N2CCOCC2)ccc1C=C1C(=O)[N-]C(=S)N(C)C1=O	ZINC000006949660	532957187	/nfs/dbraw/zinc/95/71/87/532957187.db2.gz	RJSXKQSPXRNBKK-LCYFTJDESA-N	-1	1	361.423	0.788	40	10		FCCBMM
NC(=O)COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Cl	ZINC000409224999	534333286	/nfs/dbraw/zinc/33/32/86/534333286.db2.gz	NBHGMPNNPPCAFI-UHFFFAOYSA-N	-1	1	358.137	0.607	40	10		FCCBMM
NC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Cl	ZINC000409224999	534333295	/nfs/dbraw/zinc/33/32/95/534333295.db2.gz	NBHGMPNNPPCAFI-UHFFFAOYSA-N	-1	1	358.137	0.607	40	10		FCCBMM
COC(=O)COc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1OC	ZINC000408911493	533554629	/nfs/dbraw/zinc/55/46/29/533554629.db2.gz	NOCLCAXUECFIBB-UXBLZVDNSA-N	-1	1	364.379	0.504	40	10		FCCBMM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCN(C)CC3)C2=O)cc1	ZINC000038163607	1245294527	/nfs/dbraw/zinc/29/45/27/1245294527.db2.gz	PSOFVMWZZKJJDM-KAMYIIQDSA-N	-1	1	359.386	0.754	40	10		FCCBMM
NC(N)=NNC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000038162511	1245294542	/nfs/dbraw/zinc/29/45/42/1245294542.db2.gz	UZPAECHZLFGQRQ-YVMONPNESA-N	-1	1	367.163	0.744	40	10		FCCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(SCCO)c([N+](=O)[O-])c1	ZINC000032124889	208026738	/nfs/dbraw/zinc/02/67/38/208026738.db2.gz	ASMTZBMELCIDJV-UHFFFAOYSA-N	-1	1	353.381	0.594	40	10		FCCBMM
COc1c(OC(C)=O)ccc(C=C2C(=O)[N-]C(=S)NC2=O)c1[N+](=O)[O-]	ZINC000408718379	533447378	/nfs/dbraw/zinc/44/73/78/533447378.db2.gz	VPEMULJKZQCVBN-UHFFFAOYSA-N	-1	1	365.323	0.443	40	10		FCCBMM
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c([N+](=O)[O-])cc1OC	ZINC000408908338	533472590	/nfs/dbraw/zinc/47/25/90/533472590.db2.gz	BTVGVYNZLRSOJC-XBXARRHUSA-N	-1	1	351.340	0.869	40	10		FCCBMM
NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000409223633	534338640	/nfs/dbraw/zinc/33/86/40/534338640.db2.gz	HJHNYMVNKGCGRC-UHFFFAOYSA-N	-1	1	368.143	0.063	40	10		FCCBMM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000409223633	534338645	/nfs/dbraw/zinc/33/86/45/534338645.db2.gz	HJHNYMVNKGCGRC-UHFFFAOYSA-N	-1	1	368.143	0.063	40	10		FCCBMM
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409044716	528256421	/nfs/dbraw/zinc/25/64/21/528256421.db2.gz	HMRSLXGFHNLLMP-UHFFFAOYSA-N	-1	1	368.729	0.952	40	10		FCCBMM
NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)NC1=O	ZINC000409226802	534337125	/nfs/dbraw/zinc/33/71/25/534337125.db2.gz	VQYXIHLMDRTDFQ-UHFFFAOYSA-N	-1	1	368.143	0.063	40	10		FCCBMM
NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)NC1=O	ZINC000409226802	534337139	/nfs/dbraw/zinc/33/71/39/534337139.db2.gz	VQYXIHLMDRTDFQ-UHFFFAOYSA-N	-1	1	368.143	0.063	40	10		FCCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(OC)c1OC(C)=O	ZINC000000708612	533718470	/nfs/dbraw/zinc/71/84/70/533718470.db2.gz	UXVDXJQOHARGIA-UHFFFAOYSA-N	-1	1	350.352	0.543	40	10		FCCBMM
COc1c(C=C2C(=O)[N-]C(=S)NC2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000408718353	533413894	/nfs/dbraw/zinc/41/38/94/533413894.db2.gz	TXTLQXXUWVSYOD-UHFFFAOYSA-N	-1	1	352.284	0.426	40	10		FCCBMM
O=C1[N-]C(=S)NC(=O)/C1=C\NNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000016383433	220184265	/nfs/dbraw/zinc/18/42/65/220184265.db2.gz	PEMGDPVALVLWFE-UHFFFAOYSA-N	-1	1	352.288	0.675	40	10		FCCBMM
O=C1[N-]C(=S)NC(=O)/C1=C/NNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000016383433	220184266	/nfs/dbraw/zinc/18/42/66/220184266.db2.gz	PEMGDPVALVLWFE-UHFFFAOYSA-N	-1	1	352.288	0.675	40	10		FCCBMM
O=C1[N-]C(=S)NC(=O)C1=CNNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000016383433	220184269	/nfs/dbraw/zinc/18/42/69/220184269.db2.gz	PEMGDPVALVLWFE-UHFFFAOYSA-N	-1	1	352.288	0.675	40	10		FCCBMM