smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O	ZINC000072111434	216010352	/nfs/dbraw/zinc/01/03/52/216010352.db2.gz	WBAMECLXOKCJOZ-XNTDXEJSSA-N	0	2	331.166	1.290	1	30		EDEFLN
O=C([O-])C1=CN(C2CC2)[C@H]2C(=CC(F)=C(Cn3cc[nH+]c3)[C@@H]2F)C1=O	ZINC000053006981	214159661	/nfs/dbraw/zinc/15/96/61/214159661.db2.gz	RXYNPTWWANKDFR-GJZGRUSLSA-N	0	2	347.321	1.769	1	30		EDEFLN
N#Cc1c2[nH]c3ccccc3n2c(=O)c(/C=N/c2ncccn2)c1O	ZINC000102943510	219242578	/nfs/dbraw/zinc/24/25/78/219242578.db2.gz	QYTLWFUJWBQAMW-ZVBGSRNCSA-N	0	2	330.307	1.899	1	30		EDEFLN
N#Cc1c(NC(=O)c2ccco2)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-]	ZINC000101969584	219176821	/nfs/dbraw/zinc/17/68/21/219176821.db2.gz	WMBANUHURZVMMK-UHFFFAOYSA-N	0	2	332.222	1.102	1	30		EDEFLN
CCOC(=O)C1=C(N)Oc2ccc(C)cc2[C@H]1C(C#N)C(=O)OCC	ZINC000029464656	202187089	/nfs/dbraw/zinc/18/70/89/202187089.db2.gz	TUBRNFIFFYPWSN-JSGCOSHPSA-N	0	2	344.367	1.907	1	30		EDEFLN
O=C([O-])C1=CN(C2CC2)[C@@H]2C(=CC(F)=C(Cn3cc[nH+]c3)[C@@H]2F)C1=O	ZINC000053006982	214160384	/nfs/dbraw/zinc/16/03/84/214160384.db2.gz	RXYNPTWWANKDFR-LSDHHAIUSA-N	0	2	347.321	1.769	1	30		EDEFLN
CCOC(=O)C1=C(N)Oc2ccc(C)cc2[C@@H]1C(C#N)C(=O)OCC	ZINC000029464651	212667984	/nfs/dbraw/zinc/66/79/84/212667984.db2.gz	TUBRNFIFFYPWSN-GXTWGEPZSA-N	0	2	344.367	1.907	1	30		EDEFLN
CCOC(=O)C1=C(N)Oc2ccc(C)cc2[C@H]1C(C#N)C(=O)OCC	ZINC000029464660	212668195	/nfs/dbraw/zinc/66/81/95/212668195.db2.gz	TUBRNFIFFYPWSN-OCCSQVGLSA-N	0	2	344.367	1.907	1	30		EDEFLN