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)c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1	ZINC000044511874	386796704	/nfs/dbraw/zinc/79/67/04/386796704.db2.gz	FZGBFNZRWRDHQX-UHFFFAOYSA-N	2	0	247.386	1.923	40	10		BDCBRP
NC(=[NH2+])C(/N=N/c1ccccc1)C(N)=[NH2+]	ZINC000003953901	181185737	/nfs/dbraw/zinc/18/57/37/181185737.db2.gz	DUTJFFGOOSJANZ-CCEZHUSRSA-N	2	0	204.237	1.011	40	10	in-vitro	BDCBRP
C[NH2+]CCC[NH2+]Cc1ccc(N(C)C)cc1	ZINC000006871653	342785458	/nfs/dbraw/zinc/78/54/58/342785458.db2.gz	PJFOSRQYSWQACH-UHFFFAOYSA-N	2	0	221.348	1.452	40	10		BDCBRP
C[NH+](C)Cc1ccc(O)c(C[NH+](C)C)c1	ZINC000001871365	342713312	/nfs/dbraw/zinc/71/33/12/342713312.db2.gz	IVJXXQSXKSRPIL-UHFFFAOYSA-N	2	0	208.305	1.515	40	10		BDCBRP
CN(C)c1ccc(CN2C[C@H]3CC[NH2+][C@H]3C2)cc1	ZINC000096054074	384428690	/nfs/dbraw/zinc/42/86/90/384428690.db2.gz	SGOYOSDWFYUAGY-HIFRSBDPSA-N	2	0	245.370	1.546	40	10		BDCBRP
C[NH+](C)Cc1cccc(C[NH+](C)C)c1[O-]	ZINC000001670756	342707888	/nfs/dbraw/zinc/70/78/88/342707888.db2.gz	VUENIEFVRKDJAS-UHFFFAOYSA-N	2	0	208.305	1.515	40	10		BDCBRP
C[NH+](C)Cc1cc(O)c(O)c(C[NH+](C)C)c1	ZINC000001671223	383921034	/nfs/dbraw/zinc/92/10/34/383921034.db2.gz	GRBCQHDFWCSCPX-UHFFFAOYSA-N	2	0	224.304	1.221	40	10	in-vitro	BDCBRP
C[n+]1ccc(C=CNc2cccc(N)[nH+]2)cc1	ZINC000017429440	342924906	/nfs/dbraw/zinc/92/49/06/342924906.db2.gz	RCDGYIRHUOLBMD-UHFFFAOYSA-O	2	0	227.291	1.571	40	10		BDCBRP