smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCNC(=O)N[C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCC(C(N)=O)CC2)[C@H]1O	ZINC000020463929	206332138	/nfs/dbraw/zinc/33/21/38/206332138.db2.gz	DFOTZKRDOHDGGU-XLFUENPSSA-N	1	1	354.407	-1.478	40	30	biogenic,in-vitro	FAEBMO
CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H]([NH3+])C(=O)OCC	ZINC000071788344	571166788	/nfs/dbraw/zinc/16/67/88/571166788.db2.gz	IYXATRBAHYMOQL-UWVGGRQHSA-N	1	1	363.436	-1.249	40	30		FAEBMO
N#Cc1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575421212	483196027	/nfs/dbraw/zinc/19/60/27/483196027.db2.gz	HJVXWKHZROBCPT-CHWSQXEVSA-N	1	1	359.429	-1.416	40	30		FAEBMO
N#Cc1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575421213	483195876	/nfs/dbraw/zinc/19/58/76/483195876.db2.gz	HJVXWKHZROBCPT-OLZOCXBDSA-N	1	1	359.429	-1.416	40	30		FAEBMO
N#Cc1cccc(S(=O)(=O)NCC[NH2+][C@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575421214	483195638	/nfs/dbraw/zinc/19/56/38/483195638.db2.gz	HJVXWKHZROBCPT-QWHCGFSZSA-N	1	1	359.429	-1.416	40	30		FAEBMO
N#Cc1cccc(S(=O)(=O)NCC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575421216	483196108	/nfs/dbraw/zinc/19/61/08/483196108.db2.gz	HJVXWKHZROBCPT-STQMWFEESA-N	1	1	359.429	-1.416	40	30		FAEBMO