smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1ccccc1CN1CCc2c(C(=O)OC)c(OC[C@H]3CCC[N@H+](C)C3)cc(=O)n2CC1	ZINC000012099812	519070028	/nfs/dbraw/zinc/07/00/28/519070028.db2.gz	DMZPWRWHLGHVOH-NRFANRHFSA-N	1	0	495.620	2.979	10	30		JFEERO
N[C@H](CCCCC(=O)ON1C(=O)CCC1=O)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000097972946	569748241	/nfs/dbraw/zinc/74/82/41/569748241.db2.gz	XHFQHCFLECMRIQ-OAQYLSRUSA-N	1	0	450.491	2.837	10	30		JFEERO
C=CCOc1ccccc1CN1CCc2c(C(=O)OC)c(OC[C@@H]3CCC[N@H+](C)C3)cc(=O)n2CC1	ZINC000012099811	519070422	/nfs/dbraw/zinc/07/04/22/519070422.db2.gz	DMZPWRWHLGHVOH-OAQYLSRUSA-N	1	0	495.620	2.979	10	30		JFEERO
N[C@@H](CCCCC(=O)ON1C(=O)CCC1=O)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000097972947	569748248	/nfs/dbraw/zinc/74/82/48/569748248.db2.gz	XHFQHCFLECMRIQ-NRFANRHFSA-N	1	0	450.491	2.837	10	30		JFEERO
C[C@@H](O/N=C1\c2ncncc2-c2cc(Br)cc(Br)c21)C(=O)NCC[NH+](C)C	ZINC000004212188	562932647	/nfs/dbraw/zinc/93/26/47/562932647.db2.gz	KIGNRDGJGXIHCH-GYZHTSTMSA-N	1	0	497.191	2.817	10	30	in-man	JFEERO