smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]c2cc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)ccc2n1CCc1ccccc1	ZINC000218400335	569883377	/nfs/dbraw/zinc/88/33/77/569883377.db2.gz	ZZRHIAHAZMUFJL-QHCPKHFHSA-N	1	2	481.556	4.057	50	70		JIIALO
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCCCCc1[nH]c2ccccc2[nH+]1	ZINC000217618772	569880636	/nfs/dbraw/zinc/88/06/36/569880636.db2.gz	ARUHAYBIUWHUTH-HHHXNRCGSA-N	1	2	493.567	4.207	50	70	biogenic	JIIALO
COc1cc2c(cc1OC)C[N@H+](Cc1cc(=O)c(OCC(=O)Nc3ccc(C(C)C)cc3)co1)CC2	ZINC000217736839	569881264	/nfs/dbraw/zinc/88/12/64/569881264.db2.gz	YHNRENGVZYSWGN-UHFFFAOYSA-N	1	2	492.572	4.356	50	70	biogenic	JIIALO
COc1cc2c(cc1OC)C[N@@H+](Cc1cc(=O)c(OCC(=O)Nc3ccc(C(C)C)cc3)co1)CC2	ZINC000217736839	569881265	/nfs/dbraw/zinc/88/12/65/569881265.db2.gz	YHNRENGVZYSWGN-UHFFFAOYSA-N	1	2	492.572	4.356	50	70	biogenic	JIIALO
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCCCCc1[nH]c2ccccc2[nH+]1	ZINC000217618860	569880610	/nfs/dbraw/zinc/88/06/10/569880610.db2.gz	ARUHAYBIUWHUTH-MHZLTWQESA-N	1	2	493.567	4.207	50	70	biogenic	JIIALO