smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NCc2ccccc2O)[C@@H](O)[C@H]1O	ZINC000028566441	563069672	/nfs/dbraw/zinc/06/96/72/563069672.db2.gz	HCYJFNRTOTXSQG-LSCFUAHRSA-N	0	0	452.449	-1.216	1	10		JACFRN
Cc1cn([C@@H]2C[C@@H](n3c(=O)c(C)cn([C@@H]4C[C@@H](N=[N+]=[N-])[C@@H](CO)O4)c3=O)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000029340202	581094152	/nfs/dbraw/zinc/09/41/52/581094152.db2.gz	FOSHPJRCRHGLRP-JQOWZUPLSA-N	0	0	491.461	-1.043	1	10		JACFRN
Cc1cn([C@H]2C[C@@H](n3c(=O)c(C)cn([C@@H]4C[C@@H](N=[N+]=[N-])[C@@H](CO)O4)c3=O)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000029340205	581094067	/nfs/dbraw/zinc/09/40/67/581094067.db2.gz	FOSHPJRCRHGLRP-SDSMMKDESA-N	0	0	491.461	-1.043	1	10		JACFRN
Cc1cn([C@@H]2C[C@H](n3c(=O)c(C)cn([C@@H]4C[C@@H](N=[N+]=[N-])[C@@H](CO)O4)c3=O)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000029340208	581094066	/nfs/dbraw/zinc/09/40/66/581094066.db2.gz	FOSHPJRCRHGLRP-UKRFAEJPSA-N	0	0	491.461	-1.043	1	10		JACFRN
Cc1cn([C@H]2C[C@H](n3c(=O)c(C)cn([C@@H]4C[C@@H](N=[N+]=[N-])[C@@H](CO)O4)c3=O)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000029340211	581094129	/nfs/dbraw/zinc/09/41/29/581094129.db2.gz	FOSHPJRCRHGLRP-GTDBDLECSA-N	0	0	491.461	-1.043	1	10		JACFRN
Cc1cn([C@@H]2C[C@H](n3c(=O)c(C)cn([C@@H]4C[C@H](N=[N+]=[N-])[C@H](CO)O4)c3=O)[C@H](CO)O2)c(=O)[nH]c1=O	ZINC000038154481	563132560	/nfs/dbraw/zinc/13/25/60/563132560.db2.gz	FOSHPJRCRHGLRP-QNILMXGZSA-N	0	0	491.461	-1.043	1	10		JACFRN
Cc1cn([C@H]2C[C@H](n3c(=O)c(C)cn([C@@H]4C[C@H](N=[N+]=[N-])[C@H](CO)O4)c3=O)[C@H](CO)O2)c(=O)[nH]c1=O	ZINC000038154482	581094039	/nfs/dbraw/zinc/09/40/39/581094039.db2.gz	FOSHPJRCRHGLRP-OJFNHCPVSA-N	0	0	491.461	-1.043	1	10		JACFRN
Cc1cn([C@@H]2C[C@@H](n3c(=O)c(C)cn([C@@H]4C[C@H](N=[N+]=[N-])[C@H](CO)O4)c3=O)[C@H](CO)O2)c(=O)[nH]c1=O	ZINC000038154483	581094049	/nfs/dbraw/zinc/09/40/49/581094049.db2.gz	FOSHPJRCRHGLRP-KARBZBNUSA-N	0	0	491.461	-1.043	1	10		JACFRN
Cc1cn([C@H]2C[C@@H](n3c(=O)c(C)cn([C@@H]4C[C@H](N=[N+]=[N-])[C@H](CO)O4)c3=O)[C@H](CO)O2)c(=O)[nH]c1=O	ZINC000038154484	581094155	/nfs/dbraw/zinc/09/41/55/581094155.db2.gz	FOSHPJRCRHGLRP-PLZKBRGSSA-N	0	0	491.461	-1.043	1	10		JACFRN