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[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)CCSC)CC2)c1[O-]	ZINC000012055730	555898528	/nfs/dbraw/zinc/89/85/28/555898528.db2.gz	OAHFEPAOKAFZLZ-HSZRJFAPSA-N	0	3	474.642	4.575	10	10		JJCEHN
COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)CC2)c([O-])c1	ZINC000034683507	569644523	/nfs/dbraw/zinc/64/45/23/569644523.db2.gz	FHAGSFPURRJCBZ-UHFFFAOYSA-N	0	3	452.501	4.990	10	10		JJCEHN
O=c1ccc(-c2ccc(OC(F)(F)F)cc2)c2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccccc2[O-])C1	ZINC000004258725	194386268	/nfs/dbraw/zinc/38/62/68/194386268.db2.gz	FJBUCGSUDNIINZ-QFBILLFUSA-N	0	3	456.464	4.739	10	10	biogenic	JJCEHN
O=c1ccc(-c2ccc(OC(F)(F)F)cc2)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccccc2[O-])C1	ZINC000004258725	194386271	/nfs/dbraw/zinc/38/62/71/194386271.db2.gz	FJBUCGSUDNIINZ-QFBILLFUSA-N	0	3	456.464	4.739	10	10	biogenic	JJCEHN
COc1cccc(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)CCSC)CC2)c1[O-]	ZINC000012055732	555898507	/nfs/dbraw/zinc/89/85/07/555898507.db2.gz	OAHFEPAOKAFZLZ-QHCPKHFHSA-N	0	3	474.642	4.575	10	10		JJCEHN
CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc32)c(OC)c1	ZINC000026847463	563037139	/nfs/dbraw/zinc/03/71/39/563037139.db2.gz	PTSLCIZOHHWQJU-UHFFFAOYSA-N	0	3	464.547	4.860	10	10		JJCEHN
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H]([N@H+](C)Cc1ccccc1[O-])CC2	ZINC000000689682	553758841	/nfs/dbraw/zinc/75/88/41/553758841.db2.gz	SOFSXTKPGSIDCI-OAQYLSRUSA-N	0	3	477.557	4.573	10	10		JJCEHN
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H]([N@@H+](C)Cc1ccccc1[O-])CC2	ZINC000000689682	553758843	/nfs/dbraw/zinc/75/88/43/553758843.db2.gz	SOFSXTKPGSIDCI-OAQYLSRUSA-N	0	3	477.557	4.573	10	10		JJCEHN