smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc[nH+]c1CN1C(=O)CO[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]21	ZINC000067897340	436727419	/nfs/dbraw/zinc/72/74/19/436727419.db2.gz	HIBCMJPJXKSCMY-ZBFHGGJFSA-N	2	2	342.399	0.738	40	10	biogenic,in-vitro	ECCBLP
Cn1cc[nH+]c1CN1C(=O)CO[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]21	ZINC000067897340	436727420	/nfs/dbraw/zinc/72/74/20/436727420.db2.gz	HIBCMJPJXKSCMY-ZBFHGGJFSA-N	2	2	342.399	0.738	40	10	biogenic,in-vitro	ECCBLP
Oc1ccccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCCCC2)[C@H]1O	ZINC000012529612	436050305	/nfs/dbraw/zinc/05/03/05/436050305.db2.gz	RTDMFQKCLDHULZ-HSFUPAIVSA-N	2	2	334.416	0.821	40	10	biogenic,in-vitro	ECCBLP
Nc1nc2c(c(N)[nH+]1)C[C@@]1(COCC[N@H+](Cc3ccccc3O)C1)O2	ZINC000257279655	436861246	/nfs/dbraw/zinc/86/12/46/436861246.db2.gz	OHPILFCNILODDO-QGZVFWFLSA-N	2	2	343.387	0.553	40	10		ECCBLP
Nc1nc2c(c(N)[nH+]1)C[C@@]1(COCC[N@@H+](Cc3ccccc3O)C1)O2	ZINC000257279655	436861250	/nfs/dbraw/zinc/86/12/50/436861250.db2.gz	OHPILFCNILODDO-QGZVFWFLSA-N	2	2	343.387	0.553	40	10		ECCBLP
COc1ccc(N2CC[NH2+][C@H](C(=O)NCCn3cc[nH+]c3C)C2)cc1	ZINC000257250773	536705828	/nfs/dbraw/zinc/70/58/28/536705828.db2.gz	JNXTUFAMIMRGOI-KRWDZBQOSA-N	2	2	343.431	0.795	40	10		ECCBLP
COc1ccc(N2CC[NH2+][C@@H](C(=O)NCCn3cc[nH+]c3C)C2)cc1	ZINC000257250774	536704767	/nfs/dbraw/zinc/70/47/67/536704767.db2.gz	JNXTUFAMIMRGOI-QGZVFWFLSA-N	2	2	343.431	0.795	40	10		ECCBLP
Nc1nc2c(c(N)[nH+]1)C[C@]1(COCC[N@H+](Cc3ccccc3O)C1)O2	ZINC000257279654	436861496	/nfs/dbraw/zinc/86/14/96/436861496.db2.gz	OHPILFCNILODDO-KRWDZBQOSA-N	2	2	343.387	0.553	40	10		ECCBLP
Nc1nc2c(c(N)[nH+]1)C[C@]1(COCC[N@@H+](Cc3ccccc3O)C1)O2	ZINC000257279654	436861497	/nfs/dbraw/zinc/86/14/97/436861497.db2.gz	OHPILFCNILODDO-KRWDZBQOSA-N	2	2	343.387	0.553	40	10		ECCBLP