smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNc1nonc1N[N+](=O)C(C)(C)[N+](=O)[O-]	ZINC000225421910	386194045	/nfs/dbraw/zinc/19/40/45/386194045.db2.gz	NXHCTIIHCBOGDW-UHFFFAOYSA-N	1	1	231.192	0.610	50	10		BCCAMO
CCOC(=O)[C@H]([NH3+])Cc1ccc(O)c(O)c1	ZINC000058124699	170274737	/nfs/dbraw/zinc/27/47/37/170274737.db2.gz	NULMGOSOSZBEQL-MRVPVSSYSA-N	1	1	225.244	0.531	50	10		BCCAMO
C[NH+]1CCN(CC(=O)Nc2ccc(N)cc2)CC1	ZINC000022152750	173078432	/nfs/dbraw/zinc/07/84/32/173078432.db2.gz	XWNSOTJCQVAZAM-UHFFFAOYSA-N	1	1	248.330	0.455	50	10		BCCAMO
CN(C)c1ccc([C@H]2CNCC[NH2+]2)cc1	ZINC000038545434	343376912	/nfs/dbraw/zinc/37/69/12/343376912.db2.gz	ZGRWHFVHAULXAQ-GFCCVEGCSA-N	1	1	205.305	0.987	50	10		BCCAMO
CC[NH+]1CCN(C(=O)Cc2ccc(N)cc2)CC1	ZINC000020185645	342975345	/nfs/dbraw/zinc/97/53/45/342975345.db2.gz	FZSDTJTUOMPSNU-UHFFFAOYSA-N	1	1	247.342	0.975	50	10		BCCAMO
CC1=NN(c2ccc(N)cc2)C(=O)[C@@H]1[NH3+]	ZINC000075250785	356914149	/nfs/dbraw/zinc/91/41/49/356914149.db2.gz	BXLNYWYSKQRDRI-SECBINFHSA-N	1	1	204.233	0.319	50	10		BCCAMO
NC(=O)C1CC[NH+](c2ccc(N)cc2)CC1	ZINC000022218861	132332613	/nfs/dbraw/zinc/33/26/13/132332613.db2.gz	SXFSOZCNRLOVFG-UHFFFAOYSA-N	1	1	219.288	0.971	50	10		BCCAMO
CC(=O)N1CC[NH+](Cc2ccc(N)cc2)CC1	ZINC000020398338	342984873	/nfs/dbraw/zinc/98/48/73/342984873.db2.gz	KSSBFJYMUTXPHA-UHFFFAOYSA-N	1	1	233.315	0.933	50	10		BCCAMO
COC(=O)[C@@H]([NH3+])Cc1ccc(O)c(O)c1	ZINC000019861870	359968322	/nfs/dbraw/zinc/96/83/22/359968322.db2.gz	XBBDACCLCFWBSI-ZETCQYMHSA-N	1	1	211.217	0.141	50	10	in-man	BCCAMO
CN(C)c1ccc(C[NH2+]CCNCCO)cc1	ZINC000022076649	136208463	/nfs/dbraw/zinc/20/84/63/136208463.db2.gz	MLXGUTQIPGJYFE-UHFFFAOYSA-N	1	1	237.347	0.424	50	10		BCCAMO
CN(C)c1ccc([C@@H]2CNCC[NH2+]2)cc1	ZINC000096305486	384453078	/nfs/dbraw/zinc/45/30/78/384453078.db2.gz	ZGRWHFVHAULXAQ-LBPRGKRZSA-N	1	1	205.305	0.987	50	10		BCCAMO
NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1	ZINC000022167485	181280394	/nfs/dbraw/zinc/28/03/94/181280394.db2.gz	LTKSBKLJMOYVAC-NSHDSACASA-N	1	1	233.315	0.966	50	10		BCCAMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1	ZINC000022167483	181269310	/nfs/dbraw/zinc/26/93/10/181269310.db2.gz	LTKSBKLJMOYVAC-LLVKDONJSA-N	1	1	233.315	0.966	50	10		BCCAMO
CN1CCN(c2ccc(C[NH3+])cc2)CC1	ZINC000000158909	132312931	/nfs/dbraw/zinc/31/29/31/132312931.db2.gz	MZFQGKRIWIKPBT-UHFFFAOYSA-N	1	1	205.305	0.897	50	10		BCCAMO
CCOC(=O)[C@@](C)([NH3+])Cc1ccc(O)c(O)c1	ZINC000053226479	170260538	/nfs/dbraw/zinc/26/05/38/170260538.db2.gz	SVEBYYWCXTVYCR-LBPRGKRZSA-N	1	1	239.271	0.921	50	10	in-man	BCCAMO
C[NH+]1CCN(C(=O)Cc2ccc(N)cc2)CC1	ZINC000020154958	173068074	/nfs/dbraw/zinc/06/80/74/173068074.db2.gz	AJGWCRWPCTVETH-UHFFFAOYSA-N	1	1	233.315	0.585	50	10		BCCAMO
c1cc(N2CCOCC2)ccc1[C@H]1CNCC[NH2+]1	ZINC000095100167	384365427	/nfs/dbraw/zinc/36/54/27/384365427.db2.gz	RTAZSKWNEMNKGR-CQSZACIVSA-N	1	1	247.342	0.757	50	10		BCCAMO
C[NH+]1CCN(C(=O)COc2ccc(N)cc2)CC1	ZINC000019816802	173067110	/nfs/dbraw/zinc/06/71/10/173067110.db2.gz	IKTPGVJDWUQQEL-UHFFFAOYSA-N	1	1	249.314	0.422	50	10		BCCAMO
COC(=O)[C@H]([NH3+])Cc1ccc(O)c(O)c1	ZINC000019861874	384543761	/nfs/dbraw/zinc/54/37/61/384543761.db2.gz	XBBDACCLCFWBSI-SSDOTTSWSA-N	1	1	211.217	0.141	50	10		BCCAMO
CN1CC[NH+](CCOc2ccc(N)cc2)CC1	ZINC000019731859	173083895	/nfs/dbraw/zinc/08/38/95/173083895.db2.gz	PODGLCSJCBYFGC-UHFFFAOYSA-N	1	1	235.331	0.895	50	10		BCCAMO
CC(C)([N+](=O)[O-])[N+](=O)Nc1nonc1N	ZINC000225423203	192027548	/nfs/dbraw/zinc/02/75/48/192027548.db2.gz	SDWDBJDADGXYKT-UHFFFAOYSA-N	1	1	217.165	0.150	50	10		BCCAMO
C[NH+](C)CCNCc1ccc(O)c(O)c1	ZINC000022141810	397972447	/nfs/dbraw/zinc/97/24/47/397972447.db2.gz	LCBTUDIELATKFG-UHFFFAOYSA-N	1	1	210.277	0.749	50	10		BCCAMO
CC1=NN(c2ccc(N)cc2)C(=O)[C@H]1[NH3+]	ZINC000136494420	346234391	/nfs/dbraw/zinc/23/43/91/346234391.db2.gz	BXLNYWYSKQRDRI-VIFPVBQESA-N	1	1	204.233	0.319	50	10		BCCAMO
Nc1ccc(NC(=O)CC[NH+]2CCOCC2)cc1	ZINC000019735290	181714401	/nfs/dbraw/zinc/71/44/01/181714401.db2.gz	PVFYJAYURTWSDF-UHFFFAOYSA-N	1	1	249.314	0.930	50	10		BCCAMO
CN(C)c1ccc2c(c1)N(C)C(=O)[C@H]2[NH3+]	ZINC000088131445	383881223	/nfs/dbraw/zinc/88/12/23/383881223.db2.gz	WUKZHODWLDCYMK-JTQLQIEISA-N	1	1	205.261	0.729	50	10		BCCAMO
c1cc(N2CCOCC2)ccc1[C@@H]1CNCC[NH2+]1	ZINC000095100166	384366969	/nfs/dbraw/zinc/36/69/69/384366969.db2.gz	RTAZSKWNEMNKGR-AWEZNQCLSA-N	1	1	247.342	0.757	50	10		BCCAMO
CN(C)c1ccc2c(c1)N(C)C(=O)[C@@H]2[NH3+]	ZINC000100550744	384648178	/nfs/dbraw/zinc/64/81/78/384648178.db2.gz	WUKZHODWLDCYMK-SNVBAGLBSA-N	1	1	205.261	0.729	50	10		BCCAMO
CCOC(=O)[C@@H]([NH3+])Cc1ccc(O)c(O)c1	ZINC000056897596	170254110	/nfs/dbraw/zinc/25/41/10/170254110.db2.gz	NULMGOSOSZBEQL-QMMMGPOBSA-N	1	1	225.244	0.531	50	10	investigational	BCCAMO