smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCC[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000015721940	553534928	/nfs/dbraw/zinc/53/49/28/553534928.db2.gz	KPQPMACMLFXMMV-XUXIUFHCSA-N	-1	3	509.651	-1.471	10	30		KAEEHM
C=CCN1CC[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	553662738	/nfs/dbraw/zinc/66/27/38/553662738.db2.gz	OZQAAEZUQYITNF-ODJFNWAUSA-N	-1	3	505.520	-1.341	10	30	in-vitro	KAEEHM
C=CCN1CC[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	553662654	/nfs/dbraw/zinc/66/26/54/553662654.db2.gz	OZQAAEZUQYITNF-VMYIIGNDSA-N	-1	3	505.520	-1.341	10	30	in-vitro	KAEEHM
CNCC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000111447732	571431964	/nfs/dbraw/zinc/43/19/64/571431964.db2.gz	KYOPEKNSPWYXTK-APIJFGDWSA-N	-1	3	601.618	-5.627	10	30		KAEEHM