smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(C[N@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c1O	ZINC000012593738	525923299	/nfs/dbraw/zinc/92/32/99/525923299.db2.gz	DIFFTCUKBQYSGI-HSZRJFAPSA-N	1	3	442.575	4.433	50	10		IICAHO
COc1cccc(C[N@@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c1O	ZINC000012593738	525923311	/nfs/dbraw/zinc/92/33/11/525923311.db2.gz	DIFFTCUKBQYSGI-HSZRJFAPSA-N	1	3	442.575	4.433	50	10		IICAHO
COc1ccc(O)c(C[N@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c1	ZINC000012473598	524739553	/nfs/dbraw/zinc/73/95/53/524739553.db2.gz	MYNNLMDZGKJDLU-DEOSSOPVSA-N	1	3	442.575	4.433	50	10		IICAHO
COc1ccc(O)c(C[N@@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c1	ZINC000012473598	524739563	/nfs/dbraw/zinc/73/95/63/524739563.db2.gz	MYNNLMDZGKJDLU-DEOSSOPVSA-N	1	3	442.575	4.433	50	10		IICAHO
COc1ccc(O)c(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)c1	ZINC000023373166	568613736	/nfs/dbraw/zinc/61/37/36/568613736.db2.gz	CSJHQHLEPAGKEE-JOCHJYFZSA-N	1	3	429.649	4.343	50	10		IICAHO
COc1ccc(O)c(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)c1	ZINC000023373166	568613739	/nfs/dbraw/zinc/61/37/39/568613739.db2.gz	CSJHQHLEPAGKEE-JOCHJYFZSA-N	1	3	429.649	4.343	50	10		IICAHO
COc1ccc(O)c(C[N@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c1	ZINC000012473603	524738102	/nfs/dbraw/zinc/73/81/02/524738102.db2.gz	MYNNLMDZGKJDLU-XMMPIXPASA-N	1	3	442.575	4.433	50	10		IICAHO
COc1ccc(O)c(C[N@@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c1	ZINC000012473603	524738111	/nfs/dbraw/zinc/73/81/11/524738111.db2.gz	MYNNLMDZGKJDLU-XMMPIXPASA-N	1	3	442.575	4.433	50	10		IICAHO
COc1ccc(O)c(CN(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1	ZINC000023373163	568613652	/nfs/dbraw/zinc/61/36/52/568613652.db2.gz	CSJHQHLEPAGKEE-QFIPXVFZSA-N	1	3	429.649	4.343	50	10		IICAHO
COc1ccc(O)c(CN(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)c1	ZINC000023373163	568613655	/nfs/dbraw/zinc/61/36/55/568613655.db2.gz	CSJHQHLEPAGKEE-QFIPXVFZSA-N	1	3	429.649	4.343	50	10		IICAHO
COc1cccc(C[N@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c1O	ZINC000012593734	525924302	/nfs/dbraw/zinc/92/43/02/525924302.db2.gz	DIFFTCUKBQYSGI-QHCPKHFHSA-N	1	3	442.575	4.433	50	10		IICAHO
COc1cccc(C[N@@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c1O	ZINC000012593734	525924308	/nfs/dbraw/zinc/92/43/08/525924308.db2.gz	DIFFTCUKBQYSGI-QHCPKHFHSA-N	1	3	442.575	4.433	50	10		IICAHO