smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@H+](C[C@@H]1CCCO1)C1CCN(c2cccc(NC(=O)c3ccccc3OC)c2)CC1	ZINC000012248134	521226933	/nfs/dbraw/zinc/22/69/33/521226933.db2.gz	BZSYNZNSNGJSBP-QHCPKHFHSA-N	1	0	437.584	4.417	10	10		IICERO
C[C@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1	ZINC000002012435	562925545	/nfs/dbraw/zinc/92/55/45/562925545.db2.gz	ZRBLJEGNAJFUPE-JLTOFOAXSA-N	1	0	440.462	4.327	10	10		IICERO
C[C@@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1	ZINC000013887720	563013784	/nfs/dbraw/zinc/01/37/84/563013784.db2.gz	ZRBLJEGNAJFUPE-XOBRGWDASA-N	1	0	440.462	4.327	10	10		IICERO
CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)/C=C\c4ccc(OC)cc4)ccc3n2)CC1	ZINC000038153922	563096804	/nfs/dbraw/zinc/09/68/04/563096804.db2.gz	BYSCWUNLAIWJED-GHXNOFRVSA-N	1	0	430.552	4.346	10	10		IICERO
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(C[C@H](O)C[NH+]2CCCCC2)c2ccccc12	ZINC000013541056	562992761	/nfs/dbraw/zinc/99/27/61/562992761.db2.gz	WAJAAXUKXQAYFT-TXUMJUCDSA-N	1	0	442.563	4.294	10	10		IICERO
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(C[C@@H](O)C[NH+]2CCCCC2)c2ccccc12	ZINC000013541054	562992669	/nfs/dbraw/zinc/99/26/69/562992669.db2.gz	WAJAAXUKXQAYFT-NAZSJVEXSA-N	1	0	442.563	4.294	10	10		IICERO
C[C@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1	ZINC000013887719	563013748	/nfs/dbraw/zinc/01/37/48/563013748.db2.gz	ZRBLJEGNAJFUPE-VLIAUNLRSA-N	1	0	440.462	4.327	10	10		IICERO
CC[N@H+](C[C@H]1CCCO1)C1CCN(c2cccc(NC(=O)c3ccccc3OC)c2)CC1	ZINC000012248135	521269488	/nfs/dbraw/zinc/26/94/88/521269488.db2.gz	BZSYNZNSNGJSBP-HSZRJFAPSA-N	1	0	437.584	4.417	10	10		IICERO
C[C@@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1	ZINC000002012433	562925570	/nfs/dbraw/zinc/92/55/70/562925570.db2.gz	ZRBLJEGNAJFUPE-VBKZILBWSA-N	1	0	440.462	4.327	10	10		IICERO