smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@]1(C(=O)N[C@@H](Cc2ccc(C#CCCCC(=O)[O-])cc2)C(=O)[O-])CC1(Cl)Cl	ZINC000027850873	563047313	/nfs/dbraw/zinc/04/73/13/563047313.db2.gz	FQYRXINYPFFZAF-HNAYVOBHSA-N	-2	0	426.296	2.989	1	30		IFEFRL
N#Cc1c([O-])n([N-]S(=O)(=O)c2ccccc2)c(=O)c(C#N)c1-c1ccc(Cl)cc1	ZINC000001650965	562923850	/nfs/dbraw/zinc/92/38/50/562923850.db2.gz	YCMBQIXALPOGJO-UHFFFAOYSA-N	-2	0	426.841	2.550	1	30		IFEFRL
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CN(P(=O)([O-])[O-])C/C1=C\c1ccc([N+](=O)[O-])cc1	ZINC000064526963	563154386	/nfs/dbraw/zinc/15/43/86/563154386.db2.gz	ZCOSBICSRCCJDF-KAVGSWPWSA-N	-2	0	445.324	2.947	1	30		IFEFRL
C[C@@]1(C(=O)N[C@@H](Cc2ccc(C#CCCCC(=O)[O-])cc2)C(=O)[O-])CC1(Cl)Cl	ZINC000027850865	563047273	/nfs/dbraw/zinc/04/72/73/563047273.db2.gz	FQYRXINYPFFZAF-KXBFYZLASA-N	-2	0	426.296	2.989	1	30		IFEFRL
C[C@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C(=O)N=S(=O)([O-])c1ccc(Cl)cc1	ZINC000026375843	563031054	/nfs/dbraw/zinc/03/10/54/563031054.db2.gz	HXEMIYGPQJHYER-LLVKDONJSA-N	-2	0	441.849	2.826	1	30		IFEFRL
C[C@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N=S(=O)([O-])c1ccc(Cl)cc1	ZINC000027556334	563043834	/nfs/dbraw/zinc/04/38/34/563043834.db2.gz	VVTVVQMXNDCAPC-LLVKDONJSA-N	-2	0	441.849	2.826	1	30		IFEFRL
O=C1/C(=C/c2ccccc2[N+](=O)[O-])CN(P(=O)([O-])[O-])C/C1=C\c1ccccc1[N+](=O)[O-]	ZINC000064503705	563153850	/nfs/dbraw/zinc/15/38/50/563153850.db2.gz	GFJAUDPBLZMEKY-KAVGSWPWSA-N	-2	0	445.324	2.947	1	30		IFEFRL
N#Cc1ccc(NC(=O)CCCCC(=O)Nc2ccc(C#N)cc2C(=O)[O-])c(C(=O)[O-])c1	ZINC000026578557	563034038	/nfs/dbraw/zinc/03/40/38/563034038.db2.gz	QEXQGTRVOMWDKY-UHFFFAOYSA-N	-2	0	434.408	2.964	1	30		IFEFRL
C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C(=O)N=S(=O)([O-])c1ccc(Cl)cc1	ZINC000013863181	563013281	/nfs/dbraw/zinc/01/32/81/563013281.db2.gz	HXEMIYGPQJHYER-NSHDSACASA-N	-2	0	441.849	2.826	1	30		IFEFRL
C[C@@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N=S(=O)([O-])c1ccc(Cl)cc1	ZINC000027556336	563043792	/nfs/dbraw/zinc/04/37/92/563043792.db2.gz	VVTVVQMXNDCAPC-NSHDSACASA-N	-2	0	441.849	2.826	1	30		IFEFRL
Cc1ccc(S(=O)(=O)[N-]n2c([O-])c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1	ZINC000001650967	562923822	/nfs/dbraw/zinc/92/38/22/562923822.db2.gz	FNXXYNFLDWNTAV-UHFFFAOYSA-N	-2	0	440.868	2.858	1	30		IFEFRL
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COP(=O)([O-])[O-]	ZINC000096902948	563197524	/nfs/dbraw/zinc/19/75/24/563197524.db2.gz	UDORHMPKTOBCSF-HJTSIMOOSA-N	-2	0	426.446	2.784	1	30		IFEFRL
O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CN(P(=O)([O-])[O-])C/C1=C\c1cccc([N+](=O)[O-])c1	ZINC000064512213	563154145	/nfs/dbraw/zinc/15/41/45/563154145.db2.gz	LBRFBOPRZJVESH-BGPOSVGRSA-N	-2	0	445.324	2.947	1	30		IFEFRL