smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=Cc1cc(O)c(O)cc1Cl	32210347	571971239	/nfs/dbraw/zinc/97/12/39/571971239.db2.gz	VVCAFCGTTRGXOS-UHFFFAOYSA-N	0	1	172.567	1.564	40	10		ADCBMN
COC(=O)c1c(O)csc1C	85223765	168126577	/nfs/dbraw/zinc/12/65/77/168126577.db2.gz	OWTVSGXLWIBBPO-UHFFFAOYSA-N	0	1	172.205	1.549	40	10		ADCBMN
C[C@@H](NN)c1cc(F)cc(F)c1O	104572346	168384019	/nfs/dbraw/zinc/38/40/19/168384019.db2.gz	DMZHDHPWIYQYCT-SCSAIBSYSA-N	0	1	188.177	1.195	40	10		ADCBMN
[NH3+][C@@H](CC(=O)[O-])c1cccc(F)c1O	44197115	169243886	/nfs/dbraw/zinc/24/38/86/169243886.db2.gz	OWRCNFJSCXKAHC-ZETCQYMHSA-N	0	1	199.181	1.006	40	10		ADCBMN
[NH3+][C@H](CC(=O)[O-])c1cccc(F)c1O	2586177	169264068	/nfs/dbraw/zinc/26/40/68/169264068.db2.gz	OWRCNFJSCXKAHC-SSDOTTSWSA-N	0	1	199.181	1.006	40	10		ADCBMN
CC([O-])=C([N+]#N)C(=O)c1ccccc1	4765141	171014160	/nfs/dbraw/zinc/01/41/60/171014160.db2.gz	CYYVRGUWUAFEDN-UHFFFAOYSA-N	0	1	188.186	1.129	40	10		ADCBMN
CC(=O)C(=O)c1ccc(O)c(C)c1O	1561426	342947452	/nfs/dbraw/zinc/94/74/52/342947452.db2.gz	ILOJTZYEVCJYDY-UHFFFAOYSA-N	0	1	194.186	1.178	40	10		ADCBMN
Cc1[nH]nc2c1C(=O)C(=O)C(C)(C)C2	5322390	343001026	/nfs/dbraw/zinc/00/10/26/343001026.db2.gz	MCFCOCDPTUAHDA-UHFFFAOYSA-N	0	1	192.218	1.052	40	10		ADCBMN
C[C@H](NN)c1cc(F)cc(F)c1O	104572344	343733653	/nfs/dbraw/zinc/73/36/53/343733653.db2.gz	DMZHDHPWIYQYCT-BYPYZUCNSA-N	0	1	188.177	1.195	40	10		ADCBMN
N#[N+]C1=C([O-])c2ccccc2C1	5124643	351338795	/nfs/dbraw/zinc/33/87/95/351338795.db2.gz	UTWQHEUIFBZBTR-UHFFFAOYSA-N	0	1	158.160	1.096	40	10		ADCBMN
[O-]c1ccc(-[n+]2ccccc2)cc1O	5583176	351345138	/nfs/dbraw/zinc/34/51/38/351345138.db2.gz	XIUKAVYGKVMCGQ-UHFFFAOYSA-O	0	1	188.206	1.375	40	10		ADCBMN
[N-]=[N+]=NCC(=O)c1nccs1	199749427	351779880	/nfs/dbraw/zinc/77/98/80/351779880.db2.gz	DUZKBURZAMXXLP-UHFFFAOYSA-N	0	1	168.181	1.636	40	10		ADCBMN