smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSc1[nH]c(=O)c(C(=O)[N-]OCCCC(=O)[O-])cc1C#N	ZINC001607402478	1159797674	/nfs/dbraw/zinc/79/76/74/1159797674.db2.gz	MWSBUQQNGQADEJ-UHFFFAOYSA-N	-2	2	311.319	0.907	20	30		DCEDLL
Cn1c(=O)[nH]c(NCc2ccc(O)c(Cl)c2)c(C#N)c1=O	ZINC001412905880	942133127	/nfs/dbraw/zinc/13/31/27/942133127.db2.gz	NRBOGSPNOHSFLB-UHFFFAOYSA-N	-2	2	306.709	0.916	20	30		DCEDLL
O=C(N[C@H]1CCN(O)C1=O)c1cccc(Br)c1O	ZINC000820149875	671172248	/nfs/dbraw/zinc/17/22/48/671172248.db2.gz	SCVAKDQWTFIDCH-QMMMGPOBSA-N	-2	2	315.123	0.875	20	30		DCEDLL
N#Cc1c(-c2nn[nH]n2)ncn1CCCNC(=O)C(F)(F)F	ZINC001606356540	1170168780	/nfs/dbraw/zinc/16/87/80/1170168780.db2.gz	XJHZZMLUIIODGV-UHFFFAOYSA-N	-2	2	314.231	0.003	20	30		DCEDLL
N#Cc1[n-]c(NC(=O)c2ccc(O)c(F)c2)nc1-c1nn[nH]n1	ZINC001606355410	1170169545	/nfs/dbraw/zinc/16/95/45/1170169545.db2.gz	AIKLFVUPJDXINZ-UHFFFAOYSA-N	-3	2	314.240	0.558	20	30		DCEDLL
O=C(N[C@@H]1CCN(O)C1=O)c1cccc(Br)c1O	ZINC000820149874	671172271	/nfs/dbraw/zinc/17/22/71/671172271.db2.gz	SCVAKDQWTFIDCH-MRVPVSSYSA-N	-2	2	315.123	0.875	20	30		DCEDLL