smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)Cc1ccccc1	ZINC000036316209	569762397	/nfs/dbraw/zinc/76/23/97/569762397.db2.gz	DKGZNLFVOSXWOX-AREMUKBSSA-N	1	1	481.596	4.892	10	30		JJEEMO
C=CC[NH+](CC=C)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)C1(c2ccccc2)CC1	ZINC000012190405	518770982	/nfs/dbraw/zinc/77/09/82/518770982.db2.gz	ZZRFUJRWRBAPNX-UHFFFAOYSA-N	1	1	461.587	4.927	10	30		JJEEMO
CCOc1ccc(NC(NC(=O)[C@@H](C)Oc2ccccc2)=[NH+]CCc2c[nH]c3ccccc23)cc1	ZINC000015728925	520856025	/nfs/dbraw/zinc/85/60/25/520856025.db2.gz	FWLKDZIWRYRSNY-HXUWFJFHSA-N	1	1	470.573	4.970	10	30		JJEEMO
CCOc1ccc(NC(NC(=O)[C@H](C)Oc2ccccc2)=[NH+]CCc2c[nH]c3ccccc23)cc1	ZINC000015728926	520857139	/nfs/dbraw/zinc/85/71/39/520857139.db2.gz	FWLKDZIWRYRSNY-FQEVSTJZSA-N	1	1	470.573	4.970	10	30		JJEEMO
C=CCOc1ccccc1C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2cccc(F)c2)C3=O)CC1	ZINC000014884149	519069043	/nfs/dbraw/zinc/06/90/43/519069043.db2.gz	WAVOTDTVSGUEOD-UHFFFAOYSA-N	1	1	485.559	4.509	10	30		JJEEMO
C=CCC[C@@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1	ZINC000036306939	518715545	/nfs/dbraw/zinc/71/55/45/518715545.db2.gz	LBJAHDXXYFMFTE-JOCHJYFZSA-N	1	1	453.558	4.794	10	30		JJEEMO
C=CCC[C@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1	ZINC000036306942	518723114	/nfs/dbraw/zinc/72/31/14/518723114.db2.gz	LBJAHDXXYFMFTE-QFIPXVFZSA-N	1	1	453.558	4.794	10	30		JJEEMO
C=CC[NH+](CC=C)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)Cc1ccccc1F	ZINC000011841039	518770933	/nfs/dbraw/zinc/77/09/33/518770933.db2.gz	PJVFGSMQQSUPNA-UHFFFAOYSA-N	1	1	453.539	4.577	10	30		JJEEMO
C#CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)Cc1ccccc1	ZINC000036316208	569762403	/nfs/dbraw/zinc/76/24/03/569762403.db2.gz	DKGZNLFVOSXWOX-SANMLTNESA-N	1	1	481.596	4.892	10	30		JJEEMO