smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCC[C@@H](C)NC(=O)Cc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O	ZINC000005648308	562944441	/nfs/dbraw/zinc/94/44/41/562944441.db2.gz	ZZNHIVUWFISETD-OAHLLOKOSA-N	1	0	438.524	3.042	10	10		IGCERO
CC[NH+](CC)C[C@@H](O)CNc1c2ccc([N+](=O)[O-])cc2nc2cc(OC)c(OC)cc21	ZINC000017146604	563021424	/nfs/dbraw/zinc/02/14/24/563021424.db2.gz	CUFPWHJUFXFYBJ-HNNXBMFYSA-N	1	0	428.489	3.428	10	10		IGCERO
C[NH+](C)CCOC(=O)CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S	ZINC000033556904	563084590	/nfs/dbraw/zinc/08/45/90/563084590.db2.gz	VHGWZOGCWPNMEG-SDNWHVSQSA-N	1	0	443.388	3.145	10	10		IGCERO
CC[NH+](CC)CCC[C@H](C)NC(=O)Cc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O	ZINC000017122101	563021382	/nfs/dbraw/zinc/02/13/82/563021382.db2.gz	ZZNHIVUWFISETD-HNNXBMFYSA-N	1	0	438.524	3.042	10	10		IGCERO
CC[NH+](CC)C[C@H](O)CNc1c2ccc([N+](=O)[O-])cc2nc2cc(OC)c(OC)cc21	ZINC000004428559	562943312	/nfs/dbraw/zinc/94/33/12/562943312.db2.gz	CUFPWHJUFXFYBJ-OAHLLOKOSA-N	1	0	428.489	3.428	10	10		IGCERO