smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc2c(c1O)C(O)=C1C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3C[C@@H]1C2	ZINC000013736628	555606386	/nfs/dbraw/zinc/60/63/86/555606386.db2.gz	OKFZIWLJQFWHMA-SEEQWMCZSA-N	0	2	457.483	0.187	10	30	in-vitro	JCEELN
C=C1c2c(Cl)ccc(O)c2C(=O)C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]12	ZINC000013783448	562992845	/nfs/dbraw/zinc/99/28/45/562992845.db2.gz	GGQJXCQBBONZFX-MLIDHKFDSA-N	0	2	476.869	0.216	10	30		JCEELN
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2O	ZINC000016186303	522239130	/nfs/dbraw/zinc/23/91/30/522239130.db2.gz	DYKFCLLONBREIL-MJPDVNATSA-N	0	2	457.483	0.187	10	30	in-vitro	JCEELN
CN(C)c1ccc(O)c2c1C[C@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2O	ZINC000016186307	522237730	/nfs/dbraw/zinc/23/77/30/522237730.db2.gz	DYKFCLLONBREIL-HZPWUIJBSA-N	0	2	457.483	0.187	10	30		JCEELN
C=C1c2c(Cl)ccc(O)c2C(=O)C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@H](O)[C@H]12	ZINC000036385180	563128585	/nfs/dbraw/zinc/12/85/85/563128585.db2.gz	GGQJXCQBBONZFX-DZZAAQMJSA-N	0	2	476.869	0.216	10	30		JCEELN
CC[N@@H+](C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000077292381	569705545	/nfs/dbraw/zinc/70/55/45/569705545.db2.gz	NZYQBUHFIHFYPU-LRSHKJBPSA-N	0	2	471.510	0.577	10	30	in-vitro	JCEELN
CC[N@H+](C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000077292381	569705543	/nfs/dbraw/zinc/70/55/43/569705543.db2.gz	NZYQBUHFIHFYPU-LRSHKJBPSA-N	0	2	471.510	0.577	10	30	in-vitro	JCEELN