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(COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1)NC12CC3CC(CC(C3)C1)C2	ZINC000408602214	569969364	/nfs/dbraw/zinc/96/93/64/569969364.db2.gz	BBISBSNSVRKAET-ZZXKWVIFSA-N	-2	1	466.494	3.430	40	5		JGBBML
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])C(=O)[O-])n2)c1	ZINC000408631889	569983323	/nfs/dbraw/zinc/98/33/23/569983323.db2.gz	GYILGGHIUMEWFH-UUASQNMZSA-N	-2	1	489.422	3.229	40	5		JGBBML
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c(Br)c(Br)c1[O-]	ZINC000033601494	569628537	/nfs/dbraw/zinc/62/85/37/569628537.db2.gz	GSVMDHQTNASDOR-ONEGZZNKSA-N	-2	1	477.065	3.183	40	5		JGBBML
CCOc1ccccc1NC(=O)COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000408606235	569971093	/nfs/dbraw/zinc/97/10/93/569971093.db2.gz	PHJCMZQBYDKRNF-FMIVXFBMSA-N	-2	1	452.423	3.383	40	5		JGBBML
CCCOc1c(I)cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OC	ZINC000409329381	570203449	/nfs/dbraw/zinc/20/34/49/570203449.db2.gz	FDIIXEVPCBUSSI-SNAWJCMRSA-N	-2	1	473.223	3.368	40	5		JGBBML
CC(=O)c1ccc(NC(=O)COc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)cc2)cc1	ZINC000408608473	569971742	/nfs/dbraw/zinc/97/17/42/569971742.db2.gz	WOAIYPUDIUHRJN-NYYWCZLTSA-N	-2	1	450.407	3.187	40	5		JGBBML
COc1cc(OC)cc(-c2nc(SC(=Cc3cc([N+](=O)[O-])cc(OC)c3[O-])C(=O)[O-])n[nH]2)c1	ZINC000408632282	569983564	/nfs/dbraw/zinc/98/35/64/569983564.db2.gz	IKJLVDARTRKDPR-FRKPEAEDSA-N	-2	1	474.451	3.329	40	5		JGBBML
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Br)c1OCc1ccccn1	ZINC000098035366	569749825	/nfs/dbraw/zinc/74/98/25/569749825.db2.gz	XFQULFDAJMYJFS-WAYWQWQTSA-N	-2	1	475.255	3.299	40	5		JGBBML