smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1ccc(OCC(N)=[NH2+])cc1	217371081	166326171	/nfs/dbraw/zinc/32/61/71/166326171.db2.gz	JDZGPVXLVZWXGQ-UHFFFAOYSA-N	1	0	192.218	1.204	40	70		ADIBRO
CC(=O)c1cccc(OCC(N)=[NH2+])c1	217368924	166327883	/nfs/dbraw/zinc/32/78/83/166327883.db2.gz	UWPNKPZPQPVRFO-UHFFFAOYSA-N	1	0	192.218	1.204	40	70		ADIBRO
C[C@@H](C(N)=[NH2+])C1CCC1	217694449	168324976	/nfs/dbraw/zinc/32/49/76/168324976.db2.gz	KSMPPOGCZUKETO-RXMQYKEDSA-N	1	0	126.203	1.359	40	70		ADIBRO
CC(C)[N@@H+]1CCC2=C(CCC(=O)N2)C1	217545958	344403176	/nfs/dbraw/zinc/40/31/76/344403176.db2.gz	OOZGZOHSJMVNDR-UHFFFAOYSA-N	1	0	194.278	1.265	40	70		ADIBRO
C[C@H](C(N)=[NH2+])C1CCC1	217694360	344405006	/nfs/dbraw/zinc/40/50/06/344405006.db2.gz	KSMPPOGCZUKETO-YFKPBYRVSA-N	1	0	126.203	1.359	40	70		ADIBRO
COC1CC[NH+](CC2CC2)CC1	218486803	344412614	/nfs/dbraw/zinc/41/26/14/344412614.db2.gz	SNZBKJFHXIQHGZ-UHFFFAOYSA-N	1	0	169.268	1.507	40	70		ADIBRO
Cc1cc(C[NH+](C)C)c(C)[nH]1	218643485	344414364	/nfs/dbraw/zinc/41/43/64/344414364.db2.gz	ASZGECGEBICNGZ-UHFFFAOYSA-N	1	0	152.241	1.693	40	70		ADIBRO