smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1ccc([C@H](O)[C@@H]2CNCC[NH2+]2)cc1O	ZINC000039098709	183277850	/nfs/dbraw/zinc/27/78/50/183277850.db2.gz	ROKDWOXDIKOOAZ-KWQFWETISA-N	1	1	224.260	-0.307	10	10		BBCEMO
Oc1ccc([C@@H](O)[C@@H]2CNCC[NH2+]2)cc1O	ZINC000039098711	384102414	/nfs/dbraw/zinc/10/24/14/384102414.db2.gz	ROKDWOXDIKOOAZ-GZMMTYOYSA-N	1	1	224.260	-0.307	10	10		BBCEMO
Oc1ccc([C@H](O)[C@H]2CNCC[NH2+]2)cc1O	ZINC000039098713	183278931	/nfs/dbraw/zinc/27/89/31/183278931.db2.gz	ROKDWOXDIKOOAZ-KCJUWKMLSA-N	1	1	224.260	-0.307	10	10		BBCEMO
Oc1ccc([C@@H](O)[C@H]2CNCC[NH2+]2)cc1O	ZINC000039098715	188473466	/nfs/dbraw/zinc/47/34/66/188473466.db2.gz	ROKDWOXDIKOOAZ-LDYMZIIASA-N	1	1	224.260	-0.307	10	10		BBCEMO
COCC[NH2+][C@H](C(N)=O)c1ccc(O)c(O)c1	ZINC000053256825	174339128	/nfs/dbraw/zinc/33/91/28/174339128.db2.gz	RVTZQISBLRYXLA-JTQLQIEISA-N	1	1	240.259	-0.140	10	10		BBCEMO
COCC[NH2+][C@@H](C(N)=O)c1ccc(O)c(O)c1	ZINC000053256828	174336859	/nfs/dbraw/zinc/33/68/59/174336859.db2.gz	RVTZQISBLRYXLA-SNVBAGLBSA-N	1	1	240.259	-0.140	10	10		BBCEMO
OC[C@@H](O)C[NH2+]Cc1cccc(F)c1O	ZINC000083348137	183111192	/nfs/dbraw/zinc/11/11/92/183111192.db2.gz	NYLDHMBXFSSERG-QMMMGPOBSA-N	1	1	215.224	-0.026	10	10		BBCEMO
OC[C@H](O)C[NH2+]Cc1cccc(F)c1O	ZINC000083348138	183143054	/nfs/dbraw/zinc/14/30/54/183143054.db2.gz	NYLDHMBXFSSERG-MRVPVSSYSA-N	1	1	215.224	-0.026	10	10		BBCEMO
NC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(N)cc1	ZINC000083363205	181244089	/nfs/dbraw/zinc/24/40/89/181244089.db2.gz	MWACJAIAWRJBAW-VIFPVBQESA-N	1	1	236.275	-0.912	10	10		BBCEMO
NC(=O)C[C@@H]([NH3+])C(=O)NCc1ccccc1O	ZINC000083364580	181242186	/nfs/dbraw/zinc/24/21/86/181242186.db2.gz	REBFYUJGGMIWJK-MRVPVSSYSA-N	1	1	237.259	-0.789	10	10		BBCEMO
NC(=O)C[C@H]([NH3+])C(=O)NCc1ccccc1O	ZINC000083364581	181245136	/nfs/dbraw/zinc/24/51/36/181245136.db2.gz	REBFYUJGGMIWJK-QMMMGPOBSA-N	1	1	237.259	-0.789	10	10		BBCEMO
O=C(NCc1ccccc1O)[C@@H]1COCC[NH2+]1	ZINC000228424209	640873638	/nfs/dbraw/zinc/87/36/38/640873638.db2.gz	FIDGNRKYTDTNIM-JTQLQIEISA-N	1	1	236.271	-0.003	10	10		BBCEMO
O=C(NCc1ccccc1O)[C@H]1COCC[NH2+]1	ZINC000228424217	640873469	/nfs/dbraw/zinc/87/34/69/640873469.db2.gz	FIDGNRKYTDTNIM-SNVBAGLBSA-N	1	1	236.271	-0.003	10	10		BBCEMO