smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)c1nc2ccc(Nc3c4ccccc4[nH+]c4ccccc43)cc2[nH]1	ZINC000026937577	563037557	/nfs/dbraw/zinc/03/75/57/563037557.db2.gz	KTRQUABBPWHNSS-IQFVJIFQSA-N	1	1	460.490	2.116	1	10		JECFMO
CCCOCCn1c2cc(-c3ccc(OC)nc3)ncc2nc(N2CCC[N@@H+](CCCO)CC2)c1=O	ZINC000045335729	563190166	/nfs/dbraw/zinc/19/01/66/563190166.db2.gz	PEWZFEYDMCHRJT-UHFFFAOYSA-N	1	1	496.612	2.183	1	10		JECFMO
N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3[nH+]c3c(C(=O)NCCO)cccc23)cc1	ZINC000005742192	562934736	/nfs/dbraw/zinc/93/47/36/562934736.db2.gz	AUTMXMFUXGDCLM-UHFFFAOYSA-N	1	1	478.534	2.025	1	10		JECFMO
C[NH2+]CNc1cc(CC/C(C)=C(\CO)C[C@@]23O[C@]2(C(=O)OC)C(=O)c2ccccc2C3=O)ccn1	ZINC000085592683	560065617	/nfs/dbraw/zinc/06/56/17/560065617.db2.gz	HXVICMRFRYCESY-GMFMHPDQSA-N	1	1	479.533	2.062	1	10	biogenic,in-vitro	JECFMO
Cn1cc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1C(=O)NCCC[NH+](C)C	ZINC000031909665	563109118	/nfs/dbraw/zinc/10/91/18/563109118.db2.gz	ANCRTFGULDCQCO-UHFFFAOYSA-N	1	1	494.573	2.283	1	10		JECFMO
CC[C@@]1(C(=O)NCC[NH+]2CCSCC2)OC(=O)c2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	ZINC000040897292	563154174	/nfs/dbraw/zinc/15/41/74/563154174.db2.gz	WEJBFNHWDVALPR-AREMUKBSSA-N	1	1	490.585	2.366	1	10		JECFMO
O=C(/C=C/c1ccc(Cl)cc1)N1CC[NH+](CCCNC(=O)c2cc(O)c(O)c(O)c2)CC1	ZINC000058581478	563207765	/nfs/dbraw/zinc/20/77/65/563207765.db2.gz	YWVSPIGQVJXOQY-QPJJXVBHSA-N	1	1	459.930	2.434	1	10		JECFMO
NCOc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OC3CC[NH2+]CC3)c2)ccc1O	ZINC000085625504	291476186	/nfs/dbraw/zinc/47/61/86/291476186.db2.gz	XFVLJSMBXFYIFT-LJQANCHMSA-N	1	1	474.554	2.115	1	10	biogenic,in-vitro	JECFMO
COc1ccc(N2CC[NH+](CCCNS(=O)(=O)c3c(C)noc3/C=C/N(C)C)CC2)cc1	ZINC000059727171	563209192	/nfs/dbraw/zinc/20/91/92/563209192.db2.gz	CVFNZNIPHCSOQB-JLHYYAGUSA-N	1	1	463.604	2.015	3	10		JECFMO
O=C(/C=C/c1ccccc1Cl)N1CC[NH+](CCCNC(=O)c2cc(O)c(O)c(O)c2)CC1	ZINC000058591025	563208120	/nfs/dbraw/zinc/20/81/20/563208120.db2.gz	ZAGDTSBTYNGUEB-VOTSOKGWSA-N	1	1	459.930	2.434	1	10		JECFMO
Nc1ccc(C[NH+]2CCN(c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)CC2)cc1	ZINC000040898781	563154381	/nfs/dbraw/zinc/15/43/81/563154381.db2.gz	NDNZQISCWWLCBH-FQEVSTJZSA-N	1	1	451.506	2.347	1	10		JECFMO