smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1cccc(O)c1O)N1C[C@H](O)[C@@H](O)C1	ZINC000236575016	632999883	/nfs/dbraw/zinc/99/98/83/632999883.db2.gz	QFXXQWSVPXMXQT-IUCAKERBSA-N	-1	0	239.227	-0.725	20	10		BBCDRM
Cc1ccc(C(=O)N(C)CC(N)=O)c(O)c1O	ZINC000272873764	178375796	/nfs/dbraw/zinc/37/57/96/178375796.db2.gz	WQPUPSYPQCUMGE-UHFFFAOYSA-N	-1	0	238.243	-0.036	20	10		BBCDRM
CC(=O)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000308132161	642452547	/nfs/dbraw/zinc/45/25/47/642452547.db2.gz	BPRZOOAPCNDFAI-UHFFFAOYSA-N	-1	0	201.207	-0.240	20	10		BBCDRM
O=C([O-])C(=O)NCc1ccc(O)c(O)c1	ZINC000380093919	712685531	/nfs/dbraw/zinc/68/55/31/712685531.db2.gz	JRYLAKYVXZANIS-UHFFFAOYSA-N	-1	0	211.173	-0.201	20	10		BBCDRM
O=C([O-])C(=O)NCCc1ccc(O)c(O)c1	ZINC000381259692	710613713	/nfs/dbraw/zinc/61/37/13/710613713.db2.gz	RPXAEMIFWMSZGR-UHFFFAOYSA-N	-1	0	225.200	-0.159	20	10		BBCDRM
O=C(Nc1nnn[n-]1)c1cccc(O)c1O	ZINC000709972778	712236141	/nfs/dbraw/zinc/23/61/41/712236141.db2.gz	XTSRYGLNWRJUOR-UHFFFAOYSA-N	-1	0	221.176	-0.137	20	10		BBCDRM
O=C(NCc1ccccc1O)c1cc(=O)[nH][n-]1	ZINC000731872252	584930044	/nfs/dbraw/zinc/93/00/44/584930044.db2.gz	BBEAZQFLXMAADE-UHFFFAOYSA-N	-1	0	233.227	-0.116	20	10		BBCDRM
CNC(=O)CNC(=O)C1=CC(=O)CS1	ZINC000732258216	584935630	/nfs/dbraw/zinc/93/56/30/584935630.db2.gz	JGUBMWUJEDLMDP-UHFFFAOYSA-N	-1	0	214.246	-0.071	20	10		BBCDRM
NC(=O)CONC(=O)c1c(F)ccc(O)c1[O-]	ZINC000764651103	585470228	/nfs/dbraw/zinc/47/02/28/585470228.db2.gz	SZHOXOOIAZVWIS-UHFFFAOYSA-N	-1	0	244.178	-0.616	20	10		BBCDRM
COc1cccc(CN=c2nn[n-]n2C)c1O	ZINC000774523716	585660739	/nfs/dbraw/zinc/66/07/39/585660739.db2.gz	HUVALXXYVWPVMY-UHFFFAOYSA-N	-1	0	235.247	-0.042	20	10		BBCDRM
NC(=O)C1(NC(=O)c2cccc(O)c2O)CC1	ZINC000776671882	585702840	/nfs/dbraw/zinc/70/28/40/585702840.db2.gz	ZSMQWUKQRAKAIN-UHFFFAOYSA-N	-1	0	236.227	-0.155	20	10		BBCDRM
Cn1nnc(CNC(=O)C2=CC(=O)CS2)n1	ZINC000787991821	585918481	/nfs/dbraw/zinc/91/84/81/585918481.db2.gz	UETBWFWZWOBPPS-UHFFFAOYSA-N	-1	0	239.260	-0.093	20	10		BBCDRM
COc1ccc(CN=c2nn[n-]n2C)c(O)c1	ZINC000795285652	586074758	/nfs/dbraw/zinc/07/47/58/586074758.db2.gz	TWRUSDIHIPSGLE-UHFFFAOYSA-N	-1	0	235.247	-0.042	20	10		BBCDRM
COc1ccc(O)c(CN=c2nn[n-]n2C)c1	ZINC000811805256	586567072	/nfs/dbraw/zinc/56/70/72/586567072.db2.gz	OAXCEMZZSUKHCG-UHFFFAOYSA-N	-1	0	235.247	-0.042	20	10		BBCDRM
Cn1[n-]nnc1=NCCc1ccc(O)c(O)c1	ZINC000811811455	586567306	/nfs/dbraw/zinc/56/73/06/586567306.db2.gz	UYHDVAZUVMPFEE-UHFFFAOYSA-N	-1	0	235.247	-0.302	20	10		BBCDRM
O=C([O-])NCC(=O)NCc1ccc(O)c(O)c1	ZINC000832396744	587657455	/nfs/dbraw/zinc/65/74/55/587657455.db2.gz	FGGJCIQHXJPLJU-UHFFFAOYSA-N	-1	0	240.215	-0.018	20	10		BBCDRM
CO[N-]C(=O)CNC(=O)C1=CC(=O)CS1	ZINC000832753411	587684310	/nfs/dbraw/zinc/68/43/10/587684310.db2.gz	MNVLRERMZHHDEA-UHFFFAOYSA-N	-1	0	230.245	-0.139	20	10		BBCDRM
O=C(C1=CC(=O)CS1)N1C[C@H](O)[C@@H](O)C1	ZINC000862582206	589225821	/nfs/dbraw/zinc/22/58/21/589225821.db2.gz	MYUZWCMNUJXTMG-BQBZGAKWSA-N	-1	0	229.257	-0.369	20	10		BBCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)CO	ZINC000911484802	639656895	/nfs/dbraw/zinc/65/68/95/639656895.db2.gz	RBIZZSHXDPGXEG-UHFFFAOYSA-N	-1	0	239.227	-0.202	20	10		BBCDRM