smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)C[C@H]1CCC2=C(C1=O)C(c1ccccc1)C1=C(CC[C@@H](C[NH+](C)C)C1=O)O2	ZINC000001588697	557274795	/nfs/dbraw/zinc/27/47/95/557274795.db2.gz	UHGWCFNLGNUBPD-HTZLVSCSSA-N	2	0	408.542	3.390	40	30		HGEBRP
C[NH+](C)C[C@@H]1CCC2=C(C1=O)C(c1ccccc1)C1=C(CC[C@@H](C[NH+](C)C)C1=O)O2	ZINC000001588698	557274782	/nfs/dbraw/zinc/27/47/82/557274782.db2.gz	UHGWCFNLGNUBPD-ROUUACIJSA-N	2	0	408.542	3.390	40	30		HGEBRP
C[NH+](C)C[C@H]1CCC2=C(C1=O)C(c1ccccc1)C1=C(CC[C@H](C[NH+](C)C)C1=O)O2	ZINC000001588699	557274739	/nfs/dbraw/zinc/27/47/39/557274739.db2.gz	UHGWCFNLGNUBPD-QZTJIDSGSA-N	2	0	408.542	3.390	40	30		HGEBRP
CN(Cc1cc(CC2(NCc3ccc(C#N)cc3)COC2)no1)Cc1ccccc1	ZINC000067898102	291235408	/nfs/dbraw/zinc/23/54/08/291235408.db2.gz	GKWSKPJFWJKLGP-UHFFFAOYSA-N	2	0	402.498	3.280	40	30	biogenic,in-vitro	HGEBRP
N#Cc1ccc2c(c1)[N+](=O)C(c1cccc(C3C(=O)c4ccc(C#N)cc4[N+]3=O)c1)C2=O	ZINC000003844966	568927323	/nfs/dbraw/zinc/92/73/23/568927323.db2.gz	ZKVGBYBQCQPQHX-UHFFFAOYSA-N	2	0	418.368	3.085	40	30		HGEBRP