smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CC[NH+]2CCOCC2)c(OC)c1	ZINC000011933633	556377289	/nfs/dbraw/zinc/37/72/89/556377289.db2.gz	ORVGNEQZXVYOKJ-IBGZPJMESA-N	1	2	434.537	0.185	10	0		ICAELO
COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CC[NH+]2CCOCC2)c(OC)c1	ZINC000011933634	556377278	/nfs/dbraw/zinc/37/72/78/556377278.db2.gz	ORVGNEQZXVYOKJ-LJQANCHMSA-N	1	2	434.537	0.185	10	0		ICAELO
COc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCCN(c2ncccn2)CC1	ZINC000012298441	524452019	/nfs/dbraw/zinc/45/20/19/524452019.db2.gz	CLHSYNQMTGSJOF-IBGZPJMESA-N	1	2	438.532	0.915	10	0		ICAELO
COc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCCN(c2ncccn2)CC1	ZINC000012298441	524452013	/nfs/dbraw/zinc/45/20/13/524452013.db2.gz	CLHSYNQMTGSJOF-IBGZPJMESA-N	1	2	438.532	0.915	10	0		ICAELO
COc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCCN(c2ncccn2)CC1	ZINC000012298442	524451479	/nfs/dbraw/zinc/45/14/79/524451479.db2.gz	CLHSYNQMTGSJOF-LJQANCHMSA-N	1	2	438.532	0.915	10	0		ICAELO
COc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCCN(c2ncccn2)CC1	ZINC000012298442	524451470	/nfs/dbraw/zinc/45/14/70/524451470.db2.gz	CLHSYNQMTGSJOF-LJQANCHMSA-N	1	2	438.532	0.915	10	0		ICAELO
CCC(CC)C(=O)NC[C@H]1O[C@@H](CC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](O)[C@@H]1O	ZINC000012603833	521494769	/nfs/dbraw/zinc/49/47/69/521494769.db2.gz	RXWAFILLOPFETL-KJNZLNQQSA-N	1	2	434.537	0.162	10	0	biogenic	ICAELO
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C[C@H](Cn2cc(C[NH+](C)C)nn2)[C@@H](O)[C@H]1O	ZINC000225509987	291315506	/nfs/dbraw/zinc/31/55/06/291315506.db2.gz	VZBBYOGVQJJFOV-JKMAKKBCSA-N	1	2	440.504	0.843	10	0	biogenic	ICAELO
C[NH2+][C@H](Cn1cnc(I)c1I)C(=O)OC	ZINC000308959331	556718836	/nfs/dbraw/zinc/71/88/36/556718836.db2.gz	ZYTRMOQXKOXVSL-RXMQYKEDSA-N	1	2	435.003	0.853	10	0		ICAELO
C[NH2+][C@@H](Cn1cnc(I)c1I)C(=O)OC	ZINC000308959332	556718794	/nfs/dbraw/zinc/71/87/94/556718794.db2.gz	ZYTRMOQXKOXVSL-YFKPBYRVSA-N	1	2	435.003	0.853	10	0		ICAELO