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)[O-])[NH2+][C@@H](c2cc(Br)ccc2[O-])[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21	ZINC000012402070	525231514	/nfs/dbraw/zinc/23/15/14/525231514.db2.gz	KDZAPOPKRQNTCS-QOIOWGMHSA-N	-1	1	479.714	3.102	2	10		JGCFMM
CC(C)C[C@]1(C(=O)[O-])[NH2+][C@@H](c2cc(Br)ccc2[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	ZINC000004126859	194380824	/nfs/dbraw/zinc/38/08/24/194380824.db2.gz	ASYGGFDZBATJRP-KGYLXKDPSA-N	-1	1	487.350	3.474	2	10		JGCFMM
CS(=O)(=O)c1ccc(CCCC(=O)N2CCc3c(Cl)c([O-])c(O)c(Cl)c3C2)nc1	ZINC000058583797	563207947	/nfs/dbraw/zinc/20/79/47/563207947.db2.gz	YUOFSBZIDMHQRX-UHFFFAOYSA-N	-1	1	459.351	3.111	1	10		JGCFMM
COc1ccccc1Cn1c2ccc([O-])c(C(=O)NCCN(C)C)c2c2c1C(=O)c1ccccc1C2=O	ZINC000001663196	562923148	/nfs/dbraw/zinc/92/31/48/562923148.db2.gz	XEHSDXOSPQHXOZ-UHFFFAOYSA-N	-1	1	497.551	3.471	1	10		JGCFMM
CC(C)C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2cc(Br)ccc2[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	ZINC000004126858	194380891	/nfs/dbraw/zinc/38/08/91/194380891.db2.gz	ASYGGFDZBATJRP-KEXUJGGDSA-N	-1	1	487.350	3.474	2	10		JGCFMM
C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2cc(Br)ccc2[O-])[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21	ZINC000012402069	525820358	/nfs/dbraw/zinc/82/03/58/525820358.db2.gz	KDZAPOPKRQNTCS-KSVNGYGVSA-N	-1	1	479.714	3.102	2	10		JGCFMM
Cc1[n-]n(C(=O)c2ccc(Cl)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000049767032	563203435	/nfs/dbraw/zinc/20/34/35/563203435.db2.gz	HRJNALBHZAXUKU-RRRUWBTGSA-N	-1	1	497.924	3.442	1	10		JGCFMM