smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(N)c2c(c1O)C[N@H+](C)CC2	ZINC000001719193	342711250	/nfs/dbraw/zinc/71/12/50/342711250.db2.gz	QHVLVXNKFNSWOQ-UHFFFAOYSA-N	1	1	208.261	0.971	40	10		BCCBMO
COCC[NH2+]Cc1cc(C(=O)OC)ccc1O	ZINC000096530253	174335036	/nfs/dbraw/zinc/33/50/36/174335036.db2.gz	UNGUPRBFDDDEBF-UHFFFAOYSA-N	1	1	239.271	0.915	40	10		BCCBMO
CCOC(=O)[C@@H]([NH3+])Cc1ccc(N)cc1	ZINC000072201435	170254239	/nfs/dbraw/zinc/25/42/39/170254239.db2.gz	RAXLHWJKWFXAAE-JTQLQIEISA-N	1	1	208.261	0.702	40	10		BCCBMO
CCOC(=O)[C@H]([NH3+])Cc1ccc(N)cc1	ZINC000072201438	170275393	/nfs/dbraw/zinc/27/53/93/170275393.db2.gz	RAXLHWJKWFXAAE-SNVBAGLBSA-N	1	1	208.261	0.702	40	10		BCCBMO
COc1cccc(C[N@H+]2CC[C@@H](O)C2)c1O	ZINC000128089194	175260243	/nfs/dbraw/zinc/26/02/43/175260243.db2.gz	WIMFZGQSSRVDGK-SNVBAGLBSA-N	1	1	223.272	0.967	40	10		BCCBMO
O=C1COc2c1ccc(O)c2CN1CC[NH2+]CC1	ZINC000206049497	348617716	/nfs/dbraw/zinc/61/77/16/348617716.db2.gz	PSKDPUIIZRWOSI-UHFFFAOYSA-N	1	1	248.282	0.373	40	10		BCCBMO
Nc1ccc(C[NH2+][C@H]2C=CS(=O)(=O)C2)cc1	ZINC000575422867	387036839	/nfs/dbraw/zinc/03/68/39/387036839.db2.gz	WZVQUIHGJHURBV-NSHDSACASA-N	1	1	238.312	0.669	40	10		BCCBMO
COc1cccc(C[N@H+]2CC[C@H](O)C2)c1O	ZINC000128165809	175260373	/nfs/dbraw/zinc/26/03/73/175260373.db2.gz	WIMFZGQSSRVDGK-JTQLQIEISA-N	1	1	223.272	0.967	40	10		BCCBMO
[NH2+]=C1Nc2c(O)c(O)ccc2C2=NCCN21	ZINC000021948302	356481148	/nfs/dbraw/zinc/48/11/48/356481148.db2.gz	DYICYCAYPYBENA-UHFFFAOYSA-N	1	1	218.216	0.120	40	10		BCCBMO
Nc1ccc(C[NH2+][C@@H]2C=CS(=O)(=O)C2)cc1	ZINC000575422865	387037338	/nfs/dbraw/zinc/03/73/38/387037338.db2.gz	WZVQUIHGJHURBV-LLVKDONJSA-N	1	1	238.312	0.669	40	10		BCCBMO