smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCC(O)CC2)[N@@H+]3C)cc1	ZINC000035442571	560079829	/nfs/dbraw/zinc/07/98/29/560079829.db2.gz	MYJIRPJJRPOXRE-FJIJXJHWSA-N	1	0	457.619	0.889	10	10	biogenic	JCCERO
C[C@@H](O)[C@]1([NH3+])Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O	ZINC000035636348	569705747	/nfs/dbraw/zinc/70/57/47/569705747.db2.gz	HSDGDISMODBEAN-VEVHRTGASA-N	1	0	485.489	0.424	10	10	in-vitro	JCCERO
C[C@@H](O)[C@]1([NH3+])Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O	ZINC000036413810	525864347	/nfs/dbraw/zinc/86/43/47/525864347.db2.gz	HSDGDISMODBEAN-CYOPSZNZSA-N	1	0	485.489	0.424	10	10		JCCERO
C[C@H](O)[C@]1([NH3+])Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O	ZINC000044960182	525849856	/nfs/dbraw/zinc/84/98/56/525849856.db2.gz	HSDGDISMODBEAN-KJYFGZIJSA-N	1	0	485.489	0.424	10	10	in-vitro	JCCERO
C[C@H](O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O	ZINC000060184044	563209418	/nfs/dbraw/zinc/20/94/18/563209418.db2.gz	KMIBSUUWQWSRQV-BAYOIBAISA-N	1	0	499.516	0.812	10	10		JCCERO
CNS(=O)(=O)CCc1ccc2c(c1)c(-c1cc[n+](C)cc1)cn2CCS(=O)(=O)NC	ZINC000077273554	569705312	/nfs/dbraw/zinc/70/53/12/569705312.db2.gz	ZPOVBMRFZCUCDJ-UHFFFAOYSA-N	1	0	451.594	0.774	10	10	in-vitro	JCCERO