smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])Nc1nc(C[S@](=O)CCC(N)=NS(N)(=O)=O)cs1	ZINC000006057214	219711741	/nfs/dbraw/zinc/71/17/41/219711741.db2.gz	LAZSSGBZNCVJCB-FQEVSTJZSA-N	1	0	353.455	-1.352	10	30	in-vitro	FAEERO
CN(C)/C=[NH+]\CCn1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000013118924	211024984	/nfs/dbraw/zinc/02/49/84/211024984.db2.gz	IMFKINWQIXWLEO-BOPFTXTBSA-N	1	0	363.422	-1.140	10	30		FAEERO
CCCCCCCC[NH2+]CCCNC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	ZINC000103823275	222343448	/nfs/dbraw/zinc/34/34/48/222343448.db2.gz	LOMLQPJYXUWYEH-KLHDSHLOSA-N	1	0	364.483	-1.121	10	30		FAEERO
CCCCCCCC[NH2+]CCCNC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	ZINC000103823278	222344486	/nfs/dbraw/zinc/34/44/86/222344486.db2.gz	LOMLQPJYXUWYEH-FPCVCCKLSA-N	1	0	364.483	-1.121	10	30		FAEERO
CCCCCCCC[NH2+]CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000103823282	209255910	/nfs/dbraw/zinc/25/59/10/209255910.db2.gz	LOMLQPJYXUWYEH-LVQVYYBASA-N	1	0	364.483	-1.121	10	30		FAEERO
CCCCCCCC[NH2+]CCCNC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000103823285	222343895	/nfs/dbraw/zinc/34/38/95/222343895.db2.gz	LOMLQPJYXUWYEH-WCVJEAGWSA-N	1	0	364.483	-1.121	10	30		FAEERO
C[NH+]=C(NC[C@H]1CN(C)CCO1)N1CCN(CCC(=O)N(C)C)CC1	ZINC000261999503	657858951	/nfs/dbraw/zinc/85/89/51/657858951.db2.gz	TZJMQMQULJGJBB-HNNXBMFYSA-N	1	0	354.499	-1.012	10	30		FAEERO
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CCN(CCC(=O)N(C)C)CC1	ZINC000261999507	657859225	/nfs/dbraw/zinc/85/92/25/657859225.db2.gz	TZJMQMQULJGJBB-OAHLLOKOSA-N	1	0	354.499	-1.012	10	30		FAEERO
CN(C)C(=O)CNC(N[C@@H]1CCc2ncnn2C1)=[NH+]CC(=O)N(C)C	ZINC000262277858	658046302	/nfs/dbraw/zinc/04/63/02/658046302.db2.gz	IKBHXQYTYSGKQD-LLVKDONJSA-N	1	0	350.427	-1.696	10	30		FAEERO
CN(C)C(=O)CNC(N[C@H]1CCc2ncnn2C1)=[NH+]CC(=O)N(C)C	ZINC000262277860	658046320	/nfs/dbraw/zinc/04/63/20/658046320.db2.gz	IKBHXQYTYSGKQD-NSHDSACASA-N	1	0	350.427	-1.696	10	30		FAEERO