smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)NS(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C	ZINC000160502340	167127161	/nfs/dbraw/zinc/12/71/61/167127161.db2.gz	CYFRODPMMFYVJO-BDAKNGLRSA-N	1	0	235.353	-0.183	50	70		BBIARO
CC(C)NS(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C	ZINC000160502473	167127770	/nfs/dbraw/zinc/12/77/70/167127770.db2.gz	CYFRODPMMFYVJO-IUCAKERBSA-N	1	0	235.353	-0.183	50	70		BBIARO
CC(C)NS(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C	ZINC000160502591	167128042	/nfs/dbraw/zinc/12/80/42/167128042.db2.gz	CYFRODPMMFYVJO-RKDXNWHRSA-N	1	0	235.353	-0.183	50	70		BBIARO
CC(C)NS(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C	ZINC000160502723	167128546	/nfs/dbraw/zinc/12/85/46/167128546.db2.gz	CYFRODPMMFYVJO-DTWKUNHWSA-N	1	0	235.353	-0.183	50	70		BBIARO
CNC(=O)CC[N@@H+]1CCn2nc(CO)cc2C1	ZINC000217019389	173253142	/nfs/dbraw/zinc/25/31/42/173253142.db2.gz	WBSSOIAQPQHDBS-UHFFFAOYSA-N	1	0	238.291	-0.673	50	70		BBIARO
[NH3+][C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)c1cn[nH]c1	ZINC000218422582	385902155	/nfs/dbraw/zinc/90/21/55/385902155.db2.gz	JTDBNSFHYYBODD-BZNPZCIMSA-N	1	0	222.248	-0.746	50	70		BBIARO
CC(=O)N[C@@H]1CCOC[C@H]1OCC[NH+](C)C	ZINC000218710259	188008344	/nfs/dbraw/zinc/00/83/44/188008344.db2.gz	HPJZKOIHBCXZOT-GHMZBOCLSA-N	1	0	230.308	-0.142	50	70		BBIARO