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)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000026187176	553818302	/nfs/dbraw/zinc/81/83/02/553818302.db2.gz	ILBHHEXPXBRSKB-FWEHEUNISA-N	0	1	711.821	-1.624	10	30		KAEEMN
CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000049888917	562691594	/nfs/dbraw/zinc/69/15/94/562691594.db2.gz	LADIUXCZKYKVRR-PSEZLDIXSA-N	0	1	707.899	-1.018	10	30		KAEEMN
C=CC[N@@H+]1CC[C@@]23c4c5c(O[C@@H]6O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]6O)ccc4C[C@@H]1[C@]2(O)CC[C@@H](O)[C@@H]3O5	ZINC000077311515	553662735	/nfs/dbraw/zinc/66/27/35/553662735.db2.gz	OZQAAEZUQYITNF-ODJFNWAUSA-N	0	1	505.520	-1.341	10	30	in-vitro	KAEEMN
C=CC[N@@H+]1CC[C@@]23c4c5c(O[C@@H]6O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]6O)ccc4C[C@@H]1[C@]2(O)CC[C@H](O)[C@@H]3O5	ZINC000077311517	553662652	/nfs/dbraw/zinc/66/26/52/553662652.db2.gz	OZQAAEZUQYITNF-VMYIIGNDSA-N	0	1	505.520	-1.341	10	30	in-vitro	KAEEMN
C=CC[N@@H+]1CC[C@@]23c4c5c(O[C@@H]6O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]6O)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5	ZINC000263621862	572132614	/nfs/dbraw/zinc/13/26/14/572132614.db2.gz	DSRNCSJRHACUJL-IJWCBNMRSA-N	0	1	503.504	-1.133	10	30	in-vitro	KAEEMN
C=CC[N@@H+]1CC[C@@]23c4c5c(O[C@H]6O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]6O)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5	ZINC000263621863	572132574	/nfs/dbraw/zinc/13/25/74/572132574.db2.gz	DSRNCSJRHACUJL-MOIRTXDVSA-N	0	1	503.504	-1.133	10	30	in-vitro	KAEEMN
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](CS)C(=O)NCC(N)=O	ZINC000301320199	572144134	/nfs/dbraw/zinc/14/41/34/572144134.db2.gz	WTXLFXLSDCKAEI-AZTPLLCYSA-N	0	1	650.803	-2.396	10	30		KAEEMN