smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+]1CCc2cc(O)c(O)cc2C1	1563568	342947522	/nfs/dbraw/zinc/94/75/22/342947522.db2.gz	WETXYFNVBDLWIW-UHFFFAOYSA-N	1	1	179.219	1.086	50	10	endogenous,in-man	ADCAMO
CC[N@@H+](C)Cc1ccc(N)cc1	37078226	167143706	/nfs/dbraw/zinc/14/37/06/167143706.db2.gz	JBOSIXUHCCUPHD-UHFFFAOYSA-N	1	1	164.252	1.721	50	10	in-vitro	ADCAMO
CC[N@H+](C)c1ccc(N)cc1	20374539	167151077	/nfs/dbraw/zinc/15/10/77/167151077.db2.gz	FBQOVLVRZVJLDE-UHFFFAOYSA-N	1	1	150.225	1.725	50	10		ADCAMO
CC[N@@H+](C)c1ccc(N)cc1	20374539	167151082	/nfs/dbraw/zinc/15/10/82/167151082.db2.gz	FBQOVLVRZVJLDE-UHFFFAOYSA-N	1	1	150.225	1.725	50	10		ADCAMO
CC[NH2+]Cc1c(O)cccc1F	238261096	167273510	/nfs/dbraw/zinc/27/35/10/167273510.db2.gz	JHWRLTFUGFHIPR-UHFFFAOYSA-N	1	1	169.199	1.641	50	10		ADCAMO
C[C@@H]([NH3+])c1c(O)cccc1F	36949602	168368286	/nfs/dbraw/zinc/36/82/86/168368286.db2.gz	OUEGFNFSWXSLJE-RXMQYKEDSA-N	1	1	155.172	1.551	50	10		ADCAMO
[NH3+]Cc1cc(F)cc(F)c1O	39125666	169220153	/nfs/dbraw/zinc/22/01/53/169220153.db2.gz	AFHZHTNEFNRBJQ-UHFFFAOYSA-N	1	1	159.135	1.129	50	10		ADCAMO
Nc1ccc(C[NH+]2CCOCC2)cc1	19701980	169291035	/nfs/dbraw/zinc/29/10/35/169291035.db2.gz	WNYFVEFUHMDIRQ-UHFFFAOYSA-N	1	1	192.262	1.101	50	10	in-vitro	ADCAMO
C[NH+](C)Cc1cc(F)cc(F)c1O	137749471	325623494	/nfs/dbraw/zinc/62/34/94/325623494.db2.gz	ZNCGGZCJSXXNDY-UHFFFAOYSA-N	1	1	187.189	1.732	50	10		ADCAMO
Nc1ccc([NH+]2CCCC2)cc1	319800	342933333	/nfs/dbraw/zinc/93/33/33/342933333.db2.gz	URAARCWOADCWLA-UHFFFAOYSA-N	1	1	162.236	1.869	50	10	in-vitro	ADCAMO
Cc1[nH+]ccn1-c1ccc(N)cc1	4244867	342989767	/nfs/dbraw/zinc/98/97/67/342989767.db2.gz	IEZCMVRWKNEHJB-UHFFFAOYSA-N	1	1	173.219	1.763	50	10	in-vitro	ADCAMO
Cc1[nH+]ccn1Cc1ccc(N)cc1	4244872	342989975	/nfs/dbraw/zinc/98/99/75/342989975.db2.gz	KWSBIEFIWQOXTF-UHFFFAOYSA-N	1	1	187.246	1.822	50	10	in-vitro	ADCAMO
C[N@@H+](Cc1ccc(N)cc1)C1CC1	32006935	343096199	/nfs/dbraw/zinc/09/61/99/343096199.db2.gz	QOPUVTLCVAKZRB-UHFFFAOYSA-N	1	1	176.263	1.863	50	10		ADCAMO
C[C@H]([NH3+])c1c(O)cccc1F	36949601	343156030	/nfs/dbraw/zinc/15/60/30/343156030.db2.gz	OUEGFNFSWXSLJE-YFKPBYRVSA-N	1	1	155.172	1.551	50	10		ADCAMO
C[C@@H]1c2cc(O)c(O)cc2CC[N@@H+]1C	5082283	351337557	/nfs/dbraw/zinc/33/75/57/351337557.db2.gz	RKMGOUZXGHZLBJ-SSDOTTSWSA-N	1	1	193.246	1.647	50	10	endogenous,in-man	ADCAMO