smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCCNc1ccc([NH3+])cc1	ZINC000004353505	342747218	/nfs/dbraw/zinc/74/72/18/342747218.db2.gz	FFFPNITUUYVPSH-UHFFFAOYSA-N	2	2	221.348	2.413	40	10		BECBLP
CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1	ZINC000096523476	188321690	/nfs/dbraw/zinc/32/16/90/188321690.db2.gz	WANKUXZSYXHQJQ-CQSZACIVSA-N	2	2	247.386	2.066	40	10		BECBLP
CCN(CC)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1	ZINC000096523476	188321692	/nfs/dbraw/zinc/32/16/92/188321692.db2.gz	WANKUXZSYXHQJQ-CQSZACIVSA-N	2	2	247.386	2.066	40	10		BECBLP
C[NH+](C)Cc1cc(Cl)cc(C[NH+](C)C)c1O	ZINC000001670755	188273866	/nfs/dbraw/zinc/27/38/66/188273866.db2.gz	YYMJQPRNZRJYFY-UHFFFAOYSA-N	2	2	242.750	2.169	40	10		BECBLP
Cc1ccc(NC=Cc2cc[n+](C)cc2)[nH+]c1	ZINC000001706601	342710167	/nfs/dbraw/zinc/71/01/67/342710167.db2.gz	IAVJRYVABDFXEA-UHFFFAOYSA-O	2	2	226.303	2.297	40	10		BECBLP
C[NH+](C)Cc1cc(Cl)c(O)c(C[NH+](C)C)c1	ZINC000001671182	383920270	/nfs/dbraw/zinc/92/02/70/383920270.db2.gz	XITXAAZUAPOOOW-UHFFFAOYSA-N	2	2	242.750	2.169	40	10	in-vitro	BECBLP
CCN(CC)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1	ZINC000096523475	385268565	/nfs/dbraw/zinc/26/85/65/385268565.db2.gz	WANKUXZSYXHQJQ-AWEZNQCLSA-N	2	2	247.386	2.066	40	10		BECBLP
CCN(CC)c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1	ZINC000096523475	385268571	/nfs/dbraw/zinc/26/85/71/385268571.db2.gz	WANKUXZSYXHQJQ-AWEZNQCLSA-N	2	2	247.386	2.066	40	10		BECBLP
Cc1cc[nH+]c(NC=Cc2cc[n+](C)cc2)c1	ZINC000001706595	383926322	/nfs/dbraw/zinc/92/63/22/383926322.db2.gz	HBXMCYCECVCORA-UHFFFAOYSA-O	2	2	226.303	2.297	40	10		BECBLP
CCN(CC)c1ccc(C[NH2+]CC[NH+](C)C)cc1	ZINC000020083562	384573845	/nfs/dbraw/zinc/57/38/45/384573845.db2.gz	IDXHPKYDTKRWJS-UHFFFAOYSA-N	2	2	249.402	2.184	40	10		BECBLP