smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C\NN1CCOCC1	ZINC000009310054	132231517	/nfs/dbraw/zinc/23/15/17/132231517.db2.gz	SHXCAEXDAMNZOE-XFXZXTDPSA-N	0	2	442.213	0.595	50	10		ICCALN
CN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3cccc4nonc43)cc2)CC1	ZINC000016400584	556605546	/nfs/dbraw/zinc/60/55/46/556605546.db2.gz	BNUVAKWFWOIBPX-UHFFFAOYSA-N	0	2	437.503	0.960	50	10		ICCALN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=S)NC3=O)cc2)n1	ZINC000018058325	557234056	/nfs/dbraw/zinc/23/40/56/557234056.db2.gz	SIMGYQILNWUXOO-UHFFFAOYSA-N	0	2	432.487	0.721	50	10		ICCALN
CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=S)NC3=O)cc2)s1	ZINC000023114574	557064125	/nfs/dbraw/zinc/06/41/25/557064125.db2.gz	HEKUTZKBOPYQCI-UHFFFAOYSA-N	0	2	438.516	0.728	50	10		ICCALN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)NCCO)cc3)C2=O)cc1	ZINC000095470869	569371826	/nfs/dbraw/zinc/37/18/26/569371826.db2.gz	IIBQCGZOWZXPRX-ATVHPVEESA-N	0	2	444.469	0.844	50	10		ICCALN
Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)NCCO)cc3)C2=O)c1	ZINC000095470870	569371821	/nfs/dbraw/zinc/37/18/21/569371821.db2.gz	BHYUTMQEJWVOSV-ATVHPVEESA-N	0	2	444.469	0.844	50	10		ICCALN