smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(C([O-])=CN=[N+]=[N-])c1	107339262	168268199	/nfs/dbraw/zinc/26/81/99/168268199.db2.gz	SHDXHQMKFOIWCS-UHFFFAOYSA-N	-1	3	191.190	2.188	40	10		AECBHM
O=C(Nc1ccccc1)C(Cl)=C[O-]	104168118	169332210	/nfs/dbraw/zinc/33/22/10/169332210.db2.gz	SQZZOYVRUYWCKF-SOFGYWHQSA-N	-1	3	197.621	2.263	40	10		AECBHM
O=C(Nc1ccccc1)C(Cl)=C[O-]	104168124	169332649	/nfs/dbraw/zinc/33/26/49/169332649.db2.gz	SQZZOYVRUYWCKF-VURMDHGXSA-N	-1	3	197.621	2.263	40	10		AECBHM
O=C1CCCCc2cc([O-])c(O)cc21	5081633	169371257	/nfs/dbraw/zinc/37/12/57/169371257.db2.gz	JKKGBPVRHOSPHG-UHFFFAOYSA-N	-1	3	192.214	2.007	40	10		AECBHM
COc1ccccc1C([O-])=CN=[N+]=[N-]	59130097	171185171	/nfs/dbraw/zinc/18/51/71/171185171.db2.gz	LYBQLVHZDNTIIM-UHFFFAOYSA-N	-1	3	191.190	2.188	40	10		AECBHM
CC(C)c1ccc([O-])c([C@H](C)NN)c1	104560112	343732342	/nfs/dbraw/zinc/73/23/42/343732342.db2.gz	GRWPIRBULWCWTF-QMMMGPOBSA-N	-1	3	194.278	2.040	40	10		AECBHM
CC(C)c1ccc([O-])c([C@@H](C)NN)c1	104560107	343732482	/nfs/dbraw/zinc/73/24/82/343732482.db2.gz	GRWPIRBULWCWTF-MRVPVSSYSA-N	-1	3	194.278	2.040	40	10		AECBHM
[N-]=[N+]=NC=C([O-])c1ccc(F)c(F)c1	104100611	351709794	/nfs/dbraw/zinc/70/97/94/351709794.db2.gz	UXCAHXMHLNNKMW-UHFFFAOYSA-N	-1	3	197.144	2.458	40	10		AECBHM
[N-]=[N+]=NC=C([O-])c1ccccc1F	107339240	351719011	/nfs/dbraw/zinc/71/90/11/351719011.db2.gz	PUVXRICGFWGJBH-UHFFFAOYSA-N	-1	3	179.154	2.319	40	10		AECBHM
[O-]c1csc2c1CCCC2	218693158	409514382	/nfs/dbraw/zinc/51/43/82/409514382.db2.gz	OZRJZXYWZIDEQU-UHFFFAOYSA-N	-1	3	154.234	2.333	40	10		AECBHM