smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)Oc1ccc(/C=[NH+]/CC[C@@]2(O)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1	ZINC000004815138	452818141	/nfs/dbraw/zinc/81/81/41/452818141.db2.gz	CLJGDQRPOPPOBX-NBWSRYIDSA-N	2	1	332.488	3.374	40	30		EGEBMP
CC(C)Oc1ccc(/C=[NH+]/CC[C@@]2(O)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1	ZINC000004815137	210284357	/nfs/dbraw/zinc/28/43/57/210284357.db2.gz	CLJGDQRPOPPOBX-HGIMSIGDSA-N	2	1	332.488	3.374	40	30		EGEBMP
C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1	ZINC000253370374	455835074	/nfs/dbraw/zinc/83/50/74/455835074.db2.gz	QAWYGQLLILAITG-WMLDXEAASA-N	2	1	346.500	3.089	40	30		EGEBMP
C[NH+]=C(NCc1ccoc1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000177172230	454831967	/nfs/dbraw/zinc/83/19/67/454831967.db2.gz	FOJDBEWLYUFYCK-RDJZCZTQSA-N	2	1	346.500	3.089	40	30		EGEBMP
C=C(C)C[NH+]1CCC([NH2+]C2CCC(c3nc(CC)no3)CC2)CC1	ZINC000183801485	455329116	/nfs/dbraw/zinc/32/91/16/455329116.db2.gz	LBZSHMVRNDQMPA-UHFFFAOYSA-N	2	1	332.492	3.288	40	30		EGEBMP
C[NH+]=C(NCc1ccoc1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1	ZINC000246134457	455433754	/nfs/dbraw/zinc/43/37/54/455433754.db2.gz	FOJDBEWLYUFYCK-DOTOQJQBSA-N	2	1	346.500	3.089	40	30		EGEBMP
C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000195530942	455980766	/nfs/dbraw/zinc/98/07/66/455980766.db2.gz	QAWYGQLLILAITG-YOEHRIQHSA-N	2	1	346.500	3.089	40	30		EGEBMP
CC(C)Oc1ccc(/C=[NH+]/CC[C@@]2(O)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1	ZINC000013774707	453488547	/nfs/dbraw/zinc/48/85/47/453488547.db2.gz	CLJGDQRPOPPOBX-QFKLZXOKSA-N	2	1	332.488	3.374	40	30		EGEBMP
CC(C)Oc1ccc(/C=[NH+]/CC[C@@]2(O)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1	ZINC000013774711	453488097	/nfs/dbraw/zinc/48/80/97/453488097.db2.gz	CLJGDQRPOPPOBX-CXVIAELPSA-N	2	1	332.488	3.374	40	30		EGEBMP