smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@H]([NH3+])CCCNC(N)=NS(=O)(=O)c1ccc(C)cc1	ZINC000013533364	560218849	/nfs/dbraw/zinc/21/88/49/560218849.db2.gz	GIGVCLWIEMFWBF-GFCCVEGCSA-N	1	2	342.421	-0.131	3	30	in-vitro	EBEFLO
COC(=O)[C@@H]([NH3+])CCCNC(N)=NS(=O)(=O)c1ccc(C)cc1	ZINC000013533355	560218770	/nfs/dbraw/zinc/21/87/70/560218770.db2.gz	GIGVCLWIEMFWBF-LBPRGKRZSA-N	1	2	342.421	-0.131	3	30	in-vitro	EBEFLO
O=c1nc(/[NH+]=C\N2CCOCC2)ccn1[C@@H]1C[C@H](F)[C@H](CO)O1	ZINC000053122783	214165166	/nfs/dbraw/zinc/16/51/66/214165166.db2.gz	BYKXBQAEKRFDHX-VAQBLRFSSA-N	1	2	326.328	-0.147	1	30		EBEFLO
[NH3+][C@H](C(=O)NO)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1	ZINC000035269441	213017042	/nfs/dbraw/zinc/01/70/42/213017042.db2.gz	SHEHMLUZPICLDA-GFCCVEGCSA-N	1	2	333.348	-0.674	1	30		EBEFLO
[NH3+][C@@H](C(=O)NO)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1	ZINC000035269442	213016721	/nfs/dbraw/zinc/01/67/21/213016721.db2.gz	SHEHMLUZPICLDA-LBPRGKRZSA-N	1	2	333.348	-0.674	1	30		EBEFLO
O=c1nc(/[NH+]=C/N2CCOCC2)ccn1[C@H]1CS[C@H](CO)O1	ZINC000053259753	214173439	/nfs/dbraw/zinc/17/34/39/214173439.db2.gz	ISYPURPPUTZVMN-ZGQQQQJYSA-N	1	2	326.378	-0.184	1	30		EBEFLO