smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](Cc1ccc(N)cc1)[C@H]1CS(=O)(=O)C[C@H]1O	ZINC000575422397	354936234	/nfs/dbraw/zinc/93/62/34/354936234.db2.gz	VNHHMSDORQMZIR-NWDGAFQWSA-N	1	2	270.354	-0.142	40	10		CBCBLO
C[N@@H+](Cc1ccc(N)cc1)[C@H]1CS(=O)(=O)C[C@H]1O	ZINC000575422397	354936237	/nfs/dbraw/zinc/93/62/37/354936237.db2.gz	VNHHMSDORQMZIR-NWDGAFQWSA-N	1	2	270.354	-0.142	40	10		CBCBLO
O=C1NC(=S)S/C1=C\N1CC[NH+](CCO)CC1	ZINC000584906251	355045863	/nfs/dbraw/zinc/04/58/63/355045863.db2.gz	JZNZUMYGXJSUPW-FPLPWBNLSA-N	1	2	273.383	-0.414	40	10		CBCBLO
C[N@H+](Cc1ccc(N)cc1)[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000575422399	354936177	/nfs/dbraw/zinc/93/61/77/354936177.db2.gz	VNHHMSDORQMZIR-VXGBXAGGSA-N	1	2	270.354	-0.142	40	10		CBCBLO
C[N@@H+](Cc1ccc(N)cc1)[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000575422399	354936178	/nfs/dbraw/zinc/93/61/78/354936178.db2.gz	VNHHMSDORQMZIR-VXGBXAGGSA-N	1	2	270.354	-0.142	40	10		CBCBLO
C[N@H+](Cc1ccc(N)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575422398	354936318	/nfs/dbraw/zinc/93/63/18/354936318.db2.gz	VNHHMSDORQMZIR-RYUDHWBXSA-N	1	2	270.354	-0.142	40	10		CBCBLO
C[N@@H+](Cc1ccc(N)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575422398	354936320	/nfs/dbraw/zinc/93/63/20/354936320.db2.gz	VNHHMSDORQMZIR-RYUDHWBXSA-N	1	2	270.354	-0.142	40	10		CBCBLO
C[N@H+](Cc1ccc(N)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575422395	354936287	/nfs/dbraw/zinc/93/62/87/354936287.db2.gz	VNHHMSDORQMZIR-NEPJUHHUSA-N	1	2	270.354	-0.142	40	10		CBCBLO
C[N@@H+](Cc1ccc(N)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575422395	354936288	/nfs/dbraw/zinc/93/62/88/354936288.db2.gz	VNHHMSDORQMZIR-NEPJUHHUSA-N	1	2	270.354	-0.142	40	10		CBCBLO
COC(=O)C(CNc1ccc(S(N)(=O)=O)cc1)[N+]#N	ZINC000005250166	170079362	/nfs/dbraw/zinc/07/93/62/170079362.db2.gz	CKPZGGDOTWFFRO-UHFFFAOYSA-N	1	2	284.297	-0.410	40	10		CBCBLO