smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](CCCNC(=O)C=Cc2cccc(C(F)(F)F)c2)CC1	ZINC000034145478	563112260	/nfs/dbraw/zinc/11/22/60/563112260.db2.gz	BRZHXABSYVVAHO-KMBCGOSBSA-N	2	2	465.604	6.040	10	30		JKEELP
C[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](CCCNC(=O)C=Cc2cccc(C(F)(F)F)c2)CC1	ZINC000034145478	563112261	/nfs/dbraw/zinc/11/22/61/563112261.db2.gz	BRZHXABSYVVAHO-KMBCGOSBSA-N	2	2	465.604	6.040	10	30		JKEELP
C=C[C@H]1C[NH+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1C	ZINC000004097973	562932300	/nfs/dbraw/zinc/93/23/00/562932300.db2.gz	JICXOAIUPFUZPK-DXBSEXLMSA-N	2	2	450.630	5.990	10	30	in-vitro	JKEELP
C=C[C@H]1C[NH+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CC[N@@H+]1C	ZINC000004097973	562932302	/nfs/dbraw/zinc/93/23/02/562932302.db2.gz	JICXOAIUPFUZPK-DXBSEXLMSA-N	2	2	450.630	5.990	10	30	in-vitro	JKEELP
C=C[C@H]1C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CC[NH+]1C	ZINC000004097973	562932304	/nfs/dbraw/zinc/93/23/04/562932304.db2.gz	JICXOAIUPFUZPK-DXBSEXLMSA-N	2	2	450.630	5.990	10	30	in-vitro	JKEELP
C=C[C@H]1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CC[NH+]1C	ZINC000004097973	562932305	/nfs/dbraw/zinc/93/23/05/562932305.db2.gz	JICXOAIUPFUZPK-DXBSEXLMSA-N	2	2	450.630	5.990	10	30	in-vitro	JKEELP
CCN(CC)c1ccc(C=CC(=O)NCC[NH+]2CCC([N@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)cc1	ZINC000033248033	520881536	/nfs/dbraw/zinc/88/15/36/520881536.db2.gz	GBKLQKWGEDATFZ-IHZWRWDGSA-N	2	2	454.703	5.477	10	30		JKEELP
CCN(CC)c1ccc(C=CC(=O)NCC[NH+]2CCC([N@@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)cc1	ZINC000033248033	520881546	/nfs/dbraw/zinc/88/15/46/520881546.db2.gz	GBKLQKWGEDATFZ-IHZWRWDGSA-N	2	2	454.703	5.477	10	30		JKEELP