smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1Oc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216917897	206360354	/nfs/dbraw/zinc/36/03/54/206360354.db2.gz	AXYDLCXJAGVKMX-CQSZACIVSA-N	1	1	374.868	4.421	40	70		FIIBMO
C[N@H+]1CCC[C@H](C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1	ZINC000216911198	206360548	/nfs/dbraw/zinc/36/05/48/206360548.db2.gz	IWJNWHRMBQYVFC-HJGBXLFDSA-N	1	1	352.522	4.435	40	70		FIIBMO
O=C(/C(=C/c1ccco1)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000218097990	527591405	/nfs/dbraw/zinc/59/14/05/527591405.db2.gz	HFLLHWCCGRKBGI-PTGBLXJZSA-N	1	1	372.468	4.165	40	70		FIIBMO
CCCCc1ccc(Nc2cc(N3CC[NH+](C)CC3)nc(SC)n2)cc1	ZINC000216852670	521286783	/nfs/dbraw/zinc/28/67/83/521286783.db2.gz	SJUCUVYLXSMQBD-UHFFFAOYSA-N	1	1	371.554	4.037	40	70		FIIBMO
C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1	ZINC000216911168	568153381	/nfs/dbraw/zinc/15/33/81/568153381.db2.gz	IWJNWHRMBQYVFC-GYVBGXKYSA-N	1	1	352.522	4.435	40	70		FIIBMO
O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@]12C[C@H]3C[C@@H](C1)C[C@](Cl)(C3)C2	ZINC000217444488	568184138	/nfs/dbraw/zinc/18/41/38/568184138.db2.gz	IJUBJARZEOLNML-YNJLUXMJSA-N	1	1	365.945	4.372	40	70		FIIBMO
COc1ccccc1Oc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216917918	568153947	/nfs/dbraw/zinc/15/39/47/568153947.db2.gz	AXYDLCXJAGVKMX-AWEZNQCLSA-N	1	1	374.868	4.421	40	70		FIIBMO