smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000514302258	1066261081	/nfs/dbraw/zinc/26/10/81/1066261081.db2.gz	NOSYIIAMKHZOLS-GOSISDBHSA-N	-1	0	538.604	1.469	20	5		KDBDRM
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000514302260	1066260975	/nfs/dbraw/zinc/26/09/75/1066260975.db2.gz	NOSYIIAMKHZOLS-SFHVURJKSA-N	-1	0	538.604	1.469	20	5		KDBDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(CC(=O)NC4CC4)CC3)cc2)cc1[N+](=O)[O-]	ZINC000514303111	1066257091	/nfs/dbraw/zinc/25/70/91/1066257091.db2.gz	UNCHAGBKCNJNEA-UHFFFAOYSA-N	-1	0	501.565	1.740	20	5		KDBDRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1	ZINC000514385110	1066288431	/nfs/dbraw/zinc/28/84/31/1066288431.db2.gz	YXBJNALPLFWGCL-UHFFFAOYSA-N	-1	0	519.580	1.687	20	5		KDBDRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1	ZINC000514385879	1066291853	/nfs/dbraw/zinc/29/18/53/1066291853.db2.gz	XWAMTGFELKJVQT-UHFFFAOYSA-N	-1	0	517.564	1.441	20	5		KDBDRM
COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3OC)cc2)C1	ZINC000514388286	1066298283	/nfs/dbraw/zinc/29/82/83/1066298283.db2.gz	MYZYOWHWJDPEMD-AWEZNQCLSA-N	-1	0	513.550	1.978	20	5		KDBDRM
COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3OC)cc2)C1	ZINC000514388287	1066298173	/nfs/dbraw/zinc/29/81/73/1066298173.db2.gz	MYZYOWHWJDPEMD-CQSZACIVSA-N	-1	0	513.550	1.978	20	5		KDBDRM
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1	ZINC000514390938	1066308863	/nfs/dbraw/zinc/30/88/63/1066308863.db2.gz	CMFRMMGBUKSCFF-INIZCTEOSA-N	-1	0	501.565	1.821	20	5		KDBDRM
C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1	ZINC000514390939	1066308769	/nfs/dbraw/zinc/30/87/69/1066308769.db2.gz	CMFRMMGBUKSCFF-MRXNPFEDSA-N	-1	0	501.565	1.821	20	5		KDBDRM
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccccc3[N-]S(C)(=O)=O)CC2)c([N+](=O)[O-])c1	ZINC000514394238	1066332944	/nfs/dbraw/zinc/33/29/44/1066332944.db2.gz	KHZSSEMPQIBNRI-UHFFFAOYSA-N	-1	0	539.636	1.959	20	5		KDBDRM
O=C(CN1CCOCC1)N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1	ZINC000514405800	1066341521	/nfs/dbraw/zinc/34/15/21/1066341521.db2.gz	ZKPADPXDPGHEPU-UHFFFAOYSA-N	-1	0	517.564	1.012	20	5		KDBDRM