smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)CCNC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1	ZINC000020289249	553634206	/nfs/dbraw/zinc/63/42/06/553634206.db2.gz	BXUZNYRDMRSLJS-GBXCKJPGSA-N	0	3	501.697	2.583	50	10		KFCAHN
CCN(CC)CCNC(=O)C(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1	ZINC000020289252	553634345	/nfs/dbraw/zinc/63/43/45/553634345.db2.gz	BXUZNYRDMRSLJS-HYBUGGRVSA-N	0	3	501.697	2.583	50	10		KFCAHN
CCN(CC)CCNC(=O)C(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1	ZINC000020289254	553634222	/nfs/dbraw/zinc/63/42/22/553634222.db2.gz	BXUZNYRDMRSLJS-RDPSFJRHSA-N	0	3	501.697	2.583	50	10		KFCAHN
CCN(CC)CCNC(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1	ZINC000020289256	553634190	/nfs/dbraw/zinc/63/41/90/553634190.db2.gz	BXUZNYRDMRSLJS-YKSBVNFPSA-N	0	3	501.697	2.583	50	10		KFCAHN
[O-]c1c(I)cc(I)cc1CNC[C@H](O)C[NH+]1CCCCC1	ZINC000048277682	554321405	/nfs/dbraw/zinc/32/14/05/554321405.db2.gz	KEWDGKZLJQPOGB-ZDUSSCGKSA-N	0	3	516.161	2.538	50	10		KFCAHN
[O-]c1c(I)cc(I)cc1C[NH2+]C[C@H](O)CN1CCCCC1	ZINC000048277682	554321403	/nfs/dbraw/zinc/32/14/03/554321403.db2.gz	KEWDGKZLJQPOGB-ZDUSSCGKSA-N	0	3	516.161	2.538	50	10		KFCAHN
[O-]c1c(I)cc(I)cc1CNC[C@@H](O)C[NH+]1CCCCC1	ZINC000048277685	554321436	/nfs/dbraw/zinc/32/14/36/554321436.db2.gz	KEWDGKZLJQPOGB-CYBMUJFWSA-N	0	3	516.161	2.538	50	10		KFCAHN
[O-]c1c(I)cc(I)cc1C[NH2+]C[C@@H](O)CN1CCCCC1	ZINC000048277685	554321433	/nfs/dbraw/zinc/32/14/33/554321433.db2.gz	KEWDGKZLJQPOGB-CYBMUJFWSA-N	0	3	516.161	2.538	50	10		KFCAHN
CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCCN3CCN(c4ccc(OC)cc4)CC3)c(O)c2c1	ZINC000049723024	554324702	/nfs/dbraw/zinc/32/47/02/554324702.db2.gz	XBTJNJZJQKBKJH-UHFFFAOYSA-N	0	3	555.701	2.509	50	10		KFCAHN
CCN1CCN([C@H](C)C[NH2+]Cc2cc(I)cc(I)c2[O-])CC1	ZINC000252536342	572262781	/nfs/dbraw/zinc/26/27/81/572262781.db2.gz	IEZQIMFLOXKNLE-GFCCVEGCSA-N	0	3	529.204	2.717	50	10		KFCAHN
CCN1CCN([C@@H](C)C[NH2+]Cc2cc(I)cc(I)c2[O-])CC1	ZINC000252536343	572262734	/nfs/dbraw/zinc/26/27/34/572262734.db2.gz	IEZQIMFLOXKNLE-LBPRGKRZSA-N	0	3	529.204	2.717	50	10		KFCAHN
CN1CCN(CCCC[NH2+]Cc2cc(I)cc(I)c2[O-])CC1	ZINC000252549510	572263348	/nfs/dbraw/zinc/26/33/48/572263348.db2.gz	RJXXLDAXJLZZDL-UHFFFAOYSA-N	0	3	529.204	2.719	50	10		KFCAHN
CCN1CCN(CCC[NH2+]Cc2cc(I)cc(I)c2[O-])CC1	ZINC000252571330	572263737	/nfs/dbraw/zinc/26/37/37/572263737.db2.gz	XUWXEWPRZSEVAU-UHFFFAOYSA-N	0	3	529.204	2.719	50	10		KFCAHN