smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C#N)cc1-c1cc(C)c2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2c1	ZINC000028702771	561947282	/nfs/dbraw/zinc/94/72/82/561947282.db2.gz	DKRTWRRBVFCPKE-UHFFFAOYSA-N	0	1	527.654	4.298	10	30		KIEEMN
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12	ZINC000053226541	562696522	/nfs/dbraw/zinc/69/65/22/562696522.db2.gz	LUGNORFTBOIQFV-UHFFFAOYSA-N	0	1	532.570	4.456	10	30		KIEEMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(Br)cc1	ZINC000095580413	562771840	/nfs/dbraw/zinc/77/18/40/562771840.db2.gz	PFQCOOXXMCMKGI-HXUWFJFHSA-N	0	1	511.332	4.222	10	30		KIEEMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(Br)cc1	ZINC000095580414	562771833	/nfs/dbraw/zinc/77/18/33/562771833.db2.gz	PFQCOOXXMCMKGI-FQEVSTJZSA-N	0	1	511.332	4.222	10	30		KIEEMN
Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1	ZINC000095586505	562774007	/nfs/dbraw/zinc/77/40/07/562774007.db2.gz	MXYXKUBTRKHYAM-UHFFFAOYSA-N	0	1	532.570	4.456	10	30		KIEEMN
CN1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5ccnn5c4)c3)cc(C(F)(F)F)c2)CC1	ZINC000095591621	562775730	/nfs/dbraw/zinc/77/57/30/562775730.db2.gz	GYBZVTMKISJGBF-UHFFFAOYSA-N	0	1	518.543	4.148	10	30		KIEEMN
COc1cc(Br)c(NC(=O)CSc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)c(Br)c1	ZINC000103534347	555434408	/nfs/dbraw/zinc/43/44/08/555434408.db2.gz	GEJMDCWIQHAVTN-UHFFFAOYSA-N	0	1	540.193	4.166	10	30		KIEEMN
CCCCCCCCCCCCCCCC(=O)O[C@@H](C(=O)[C@@H]([NH3+])CCC(=O)[O-])[C@H](CO)O[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000514286875	717183674	/nfs/dbraw/zinc/18/36/74/717183674.db2.gz	LBPYGNOIHKUCOY-IALVYGIMSA-O	0	1	625.761	4.341	10	30		KIEEMN
CCCCCCCCCCCCCCCC(=O)O[C@H](C(=O)[C@@H]([NH3+])CCC(=O)[O-])[C@H](CO)O[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000514286876	717183689	/nfs/dbraw/zinc/18/36/89/717183689.db2.gz	LBPYGNOIHKUCOY-QEMZJVQQSA-O	0	1	625.761	4.341	10	30		KIEEMN