smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#C[C@@H]1CS[C@H]2CC[C@@H](N)C(=O)N21	42889666	169109341	/nfs/dbraw/zinc/10/93/41/169109341.db2.gz	YBMIIKPMBYMROG-QYNIQEEDSA-N	0	3	197.263	-0.099	1	30		ABEFHN
N#C[C@@H]1CS[C@H]2CC[C@H](N)C(=O)N21	52565999	169110244	/nfs/dbraw/zinc/11/02/44/169110244.db2.gz	YBMIIKPMBYMROG-VQVTYTSYSA-N	0	3	197.263	-0.099	1	30		ABEFHN
N[C@@H](Cc1cnc[nH]1)C(=O)CS	169321739	169248196	/nfs/dbraw/zinc/24/81/96/169248196.db2.gz	UYZPKWHAOSHZBE-LURJTMIESA-N	0	3	185.252	-0.222	1	30		ABEFHN
O=C1[C@@H]2C[C@@H](CC[NH2+]2)CN1[O-]	27858172	169392900	/nfs/dbraw/zinc/39/29/00/169392900.db2.gz	NLHZRQIUZGBVKY-RITPCOANSA-N	0	3	156.185	-0.414	1	30		ABEFHN
O=C1[C@H]2C[C@H](CC[NH2+]2)CN1[O-]	27858181	169393261	/nfs/dbraw/zinc/39/32/61/169393261.db2.gz	NLHZRQIUZGBVKY-NTSWFWBYSA-N	0	3	156.185	-0.414	1	30		ABEFHN
CN(C)C(=N)/C=N/O	73310553	171111821	/nfs/dbraw/zinc/11/18/21/171111821.db2.gz	KBDXHUJHYQKHAX-CDQZVZQVSA-N	0	3	115.136	-0.015	1	30		ABEFHN