smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1cc(Nc2ccc(N)cc2)[nH+]cn1	ZINC000217512536	385325289	/nfs/dbraw/zinc/32/52/89/385325289.db2.gz	FOWNHUUBLKNNAF-UHFFFAOYSA-N	1	2	229.287	1.868	40	10		BDCBLO
O=C1CC[NH2+][C@H](c2c(O)ccc3ccccc32)N1	ZINC000408736785	384213703	/nfs/dbraw/zinc/21/37/03/384213703.db2.gz	HZJYAAPOIGJAPV-AWEZNQCLSA-N	1	2	242.278	1.654	40	10		BDCBLO
CN(C)C(=O)[C@@H]1CCCN1c1ccc([NH3+])cc1	ZINC000036132155	411298405	/nfs/dbraw/zinc/29/84/05/411298405.db2.gz	JBOINVRMADICHV-LBPRGKRZSA-N	1	2	233.315	1.326	40	10		BDCBLO
CN(C)C(=O)[C@H]1CCCN1c1ccc([NH3+])cc1	ZINC000036132157	384918007	/nfs/dbraw/zinc/91/80/07/384918007.db2.gz	JBOINVRMADICHV-GFCCVEGCSA-N	1	2	233.315	1.326	40	10		BDCBLO
C[NH+](C)Cc1c(O)cc(F)c(F)c1F	ZINC000002540352	357337416	/nfs/dbraw/zinc/33/74/16/357337416.db2.gz	MPHZDBWEYMJVTK-UHFFFAOYSA-N	1	2	205.179	1.871	40	10		BDCBLO
[NH3+]c1ccc(N2CCCC[C@@H]2CO)cc1	ZINC000058641173	132368507	/nfs/dbraw/zinc/36/85/07/132368507.db2.gz	VVLRASGCTQMFFU-GFCCVEGCSA-N	1	2	206.289	1.620	40	10		BDCBLO
O=C1CC[NH2+][C@@H](c2c(O)ccc3ccccc32)N1	ZINC000408736786	384215089	/nfs/dbraw/zinc/21/50/89/384215089.db2.gz	HZJYAAPOIGJAPV-CQSZACIVSA-N	1	2	242.278	1.654	40	10		BDCBLO
CN(C)c1ccc(C2N(C)CC[N@@H+]2C)cc1	ZINC000019319204	188280842	/nfs/dbraw/zinc/28/08/42/188280842.db2.gz	KHHOTQAEURHKJZ-UHFFFAOYSA-N	1	2	219.332	1.628	40	10		BDCBLO
CN(C)c1ccc(C2N(C)CC[N@H+]2C)cc1	ZINC000019319204	188280844	/nfs/dbraw/zinc/28/08/44/188280844.db2.gz	KHHOTQAEURHKJZ-UHFFFAOYSA-N	1	2	219.332	1.628	40	10		BDCBLO
C[N@@H+](c1ccc(N)cc1)C1CCOCC1	ZINC000036320420	343315370	/nfs/dbraw/zinc/31/53/70/343315370.db2.gz	HKYPUKKDUNCZQR-UHFFFAOYSA-N	1	2	206.289	1.884	40	10		BDCBLO
C[N@H+](c1ccc(N)cc1)C1CCOCC1	ZINC000036320420	343315371	/nfs/dbraw/zinc/31/53/71/343315371.db2.gz	HKYPUKKDUNCZQR-UHFFFAOYSA-N	1	2	206.289	1.884	40	10		BDCBLO
Oc1c(Cl)cccc1C[NH+]1CCOCC1	ZINC000031614461	343221675	/nfs/dbraw/zinc/22/16/75/343221675.db2.gz	RIYSLSMXJUWLKV-UHFFFAOYSA-N	1	2	227.691	1.878	40	10		BDCBLO