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)C[C@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCO1	ZINC000181282845	532294954	/nfs/dbraw/zinc/29/49/54/532294954.db2.gz	LJYXXZOFYORCQE-NSHDSACASA-N	0	3	387.234	2.152	10	5		GEBEHN
CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000130531992	643842143	/nfs/dbraw/zinc/84/21/43/643842143.db2.gz	LWPPMSAIUMKHDA-JTQLQIEISA-N	0	3	394.291	2.366	10	5		GEBEHN
CN(C)C[C@@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCO1	ZINC000181282825	532295020	/nfs/dbraw/zinc/29/50/20/532295020.db2.gz	LJYXXZOFYORCQE-LLVKDONJSA-N	0	3	387.234	2.152	10	5		GEBEHN
CCOC[C@H](O)CN(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C	ZINC000036147327	570549595	/nfs/dbraw/zinc/54/95/95/570549595.db2.gz	HGANXELBRJDORB-MRXNPFEDSA-N	0	3	378.429	2.295	10	5		GEBEHN
Cc1c(Br)cc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1[N+](=O)[O-]	ZINC000124248339	532117116	/nfs/dbraw/zinc/11/71/16/532117116.db2.gz	FRENGLRKYKQKFD-LBPRGKRZSA-N	0	3	386.246	2.068	10	5		GEBEHN
CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1	ZINC000193861394	645304168	/nfs/dbraw/zinc/30/41/68/645304168.db2.gz	VNYAZHTXMPLKQL-JTQLQIEISA-N	0	3	394.291	2.366	10	5		GEBEHN
Cc1c(Br)cc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1[N+](=O)[O-]	ZINC000124248181	532117198	/nfs/dbraw/zinc/11/71/98/532117198.db2.gz	FRENGLRKYKQKFD-GFCCVEGCSA-N	0	3	386.246	2.068	10	5		GEBEHN
CCN(CC)[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000158131587	644140516	/nfs/dbraw/zinc/14/05/16/644140516.db2.gz	WCEGKPYNPQCTRC-JTQLQIEISA-N	0	3	394.291	2.366	10	5		GEBEHN
CCOC[C@@H](O)CN(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C	ZINC000036147330	570549599	/nfs/dbraw/zinc/54/95/99/570549599.db2.gz	HGANXELBRJDORB-INIZCTEOSA-N	0	3	378.429	2.295	10	5		GEBEHN