smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c([N+](=O)[O-])ccc(O)c1O	82401676	573022343	/nfs/dbraw/zinc/02/23/43/573022343.db2.gz	IDTXJDQVEWSWDD-UHFFFAOYSA-N	-1	0	169.136	1.314	20	10	in-vitro	ADCDRM
C[C@@H](Sc1nccs1)C(=O)[O-]	19428451	583360960	/nfs/dbraw/zinc/36/09/60/583360960.db2.gz	KSXLZMDKBCYITG-SCSAIBSYSA-N	-1	0	189.261	1.708	20	10		ADCDRM
C[C@H](Sc1nccs1)C(=O)[O-]	19428453	583361161	/nfs/dbraw/zinc/36/11/61/583361161.db2.gz	KSXLZMDKBCYITG-BYPYZUCNSA-N	-1	0	189.261	1.708	20	10		ADCDRM
COc1ccc2c(c1)C(=C[O-])C(=O)N2	100094494	168261102	/nfs/dbraw/zinc/26/11/02/168261102.db2.gz	UDQDJSBQVNJISQ-YVMONPNESA-N	-1	0	191.186	1.546	20	10		ADCDRM
COc1ccc2c(c1)NC(=O)C2=C[O-]	100095422	168262694	/nfs/dbraw/zinc/26/26/94/168262694.db2.gz	YEOJFDQOVHPHCO-YVMONPNESA-N	-1	0	191.186	1.546	20	10		ADCDRM
COc1cccc2c1NC(=O)C2=C[O-]	100095420	168273625	/nfs/dbraw/zinc/27/36/25/168273625.db2.gz	CPOQQFZBWWDGEE-ALCCZGGFSA-N	-1	0	191.186	1.546	20	10		ADCDRM
COc1cccc2c1C(=C[O-])C(=O)N2	100095424	168273947	/nfs/dbraw/zinc/27/39/47/168273947.db2.gz	IIELFKCNMRAETJ-WAYWQWQTSA-N	-1	0	191.186	1.546	20	10		ADCDRM
O=C([O-])CCSc1nccs1	19476800	169338564	/nfs/dbraw/zinc/33/85/64/169338564.db2.gz	MKRREBJHHLAYQI-UHFFFAOYSA-N	-1	0	189.261	1.710	20	10		ADCDRM
O=C([O-])c1ccc(Cl)c(O)c1O	143837241	169357465	/nfs/dbraw/zinc/35/74/65/169357465.db2.gz	CHFPLDURVJAORT-UHFFFAOYSA-N	-1	0	188.566	1.449	20	10		ADCDRM
O=C([O-])c1cscc1O	39241153	169360753	/nfs/dbraw/zinc/36/07/53/169360753.db2.gz	FJQUCWCUMQUSGS-UHFFFAOYSA-N	-1	0	144.151	1.152	20	10		ADCDRM
O=C1Nc2ccccc2C1=C[O-]	100094503	169390125	/nfs/dbraw/zinc/39/01/25/169390125.db2.gz	ZRKPUQFDPAIVPD-ALCCZGGFSA-N	-1	0	161.160	1.538	20	10	in-vitro	ADCDRM
O=C([O-])c1ccc2c(c1)C(=O)CC2=O	100845052	171159678	/nfs/dbraw/zinc/15/96/78/171159678.db2.gz	RBWIUPVTPMQHDU-UHFFFAOYSA-N	-1	0	190.154	1.154	20	10		ADCDRM
CCSc1ncc(C(=O)[O-])s1	167952465	344317483	/nfs/dbraw/zinc/31/74/83/344317483.db2.gz	COGHKMYHZCVKOF-UHFFFAOYSA-N	-1	0	189.261	1.953	20	10		ADCDRM
O=Cc1sccc1[O-]	39294106	351501070	/nfs/dbraw/zinc/50/10/70/351501070.db2.gz	GQBCZPRINVZQJQ-UHFFFAOYSA-N	-1	0	128.152	1.266	20	10	in-vitro	ADCDRM
COc1cccc(O)c1C[NH2+]CCF	308729627	573794281	/nfs/dbraw/zinc/79/42/81/573794281.db2.gz	IRWAVEASSIPVNI-UHFFFAOYSA-N	-1	0	199.225	1.460	20	10		ADCDRM