smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)CC[C@H](NC=C1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)C(=O)[O-]	ZINC000002593332	132255145	/nfs/dbraw/zinc/25/51/45/132255145.db2.gz	ZBSMZAFGKKWXHH-OBIHZWKSSA-N	-1	1	445.906	0.449	50	10		ICCAMM
CS(=O)(=O)CC[C@@H](NC=C1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)C(=O)[O-]	ZINC000002593335	132255121	/nfs/dbraw/zinc/25/51/21/132255121.db2.gz	ZBSMZAFGKKWXHH-JATZPVMKSA-N	-1	1	445.906	0.860	50	10		ICCAMM
CCOC(=O)c1c(C)c(C(=O)OCCOC)sc1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000017297270	557047166	/nfs/dbraw/zinc/04/71/66/557047166.db2.gz	GCTNSKNMQCWHRU-UHFFFAOYSA-N	-1	1	441.487	0.863	50	10		ICCAMM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CNCCCN3CCOCC3)C2=O)cc1OC	ZINC000020292515	557005890	/nfs/dbraw/zinc/00/58/90/557005890.db2.gz	MQOJRQHCXBITPP-ICFOKQHNSA-N	-1	1	446.504	0.521	50	10		ICCAMM
Cc1ccc(N2C(=O)C(=CN[C@@H](CCS(C)(=O)=O)C(=O)[O-])C(=O)NC2=S)cc1	ZINC000020477806	524916533	/nfs/dbraw/zinc/91/65/33/524916533.db2.gz	WTYHFSQUQQGAGB-SRXBQZRASA-N	-1	1	425.488	0.104	50	10		ICCAMM
Cc1ccc(N2C(=O)C(=CN[C@H](CCS(C)(=O)=O)C(=O)[O-])C(=O)NC2=S)cc1	ZINC000020477809	524916857	/nfs/dbraw/zinc/91/68/57/524916857.db2.gz	WTYHFSQUQQGAGB-CNELAYHGSA-N	-1	1	425.488	0.104	50	10		ICCAMM
COCCOC(=O)c1sc(NC=C2C(=O)[N-]C(=S)NC2=O)c(C(=O)OC)c1C	ZINC000040476923	569506603	/nfs/dbraw/zinc/50/66/03/569506603.db2.gz	CJABSTKSFFXNLK-UHFFFAOYSA-N	-1	1	427.460	0.473	50	10		ICCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc([N+](=O)[O-])c(N2CCOCC2)cc1N1CCOCC1	ZINC000059419059	569461340	/nfs/dbraw/zinc/46/13/40/569461340.db2.gz	WMSDODNWIZAUTP-UHFFFAOYSA-N	-1	1	447.473	0.182	50	10		ICCAMM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CNCCCN3CCOCC3)C2=O)cc1OC	ZINC000101063663	557219283	/nfs/dbraw/zinc/21/92/83/557219283.db2.gz	MQOJRQHCXBITPP-BMRADRMJSA-N	-1	1	446.504	0.521	50	10		ICCAMM
Cc1ccc(N2C(=O)C(=CN[C@@H](CCS(C)(=O)=O)C(=O)[O-])C(=O)NC2=S)cc1	ZINC000102549735	557348869	/nfs/dbraw/zinc/34/88/69/557348869.db2.gz	WTYHFSQUQQGAGB-SUIFULHWSA-N	-1	1	425.488	0.515	50	10		ICCAMM
Cc1ccc(N2C(=O)C(=CN[C@H](CCS(C)(=O)=O)C(=O)[O-])C(=O)NC2=S)cc1	ZINC000102549738	557348924	/nfs/dbraw/zinc/34/89/24/557348924.db2.gz	WTYHFSQUQQGAGB-KIWPFMIBSA-N	-1	1	425.488	0.515	50	10		ICCAMM
CS(=O)(=O)CC[C@H](NC=C1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)C(=O)[O-]	ZINC000103117157	557419525	/nfs/dbraw/zinc/41/95/25/557419525.db2.gz	ZBSMZAFGKKWXHH-KGTBHZDVSA-N	-1	1	445.906	0.860	50	10		ICCAMM
CS(=O)(=O)CC[C@@H](NC=C1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)C(=O)[O-]	ZINC000103117162	557419444	/nfs/dbraw/zinc/41/94/44/557419444.db2.gz	ZBSMZAFGKKWXHH-NXIHDVOMSA-N	-1	1	445.906	0.860	50	10		ICCAMM