smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(O)c(C[N@@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1	ZINC000012206348	524741038	/nfs/dbraw/zinc/74/10/38/524741038.db2.gz	DPOKSJUQTRFKED-HSZRJFAPSA-N	2	1	451.611	3.737	50	10		JHCAMP
COc1ccc(O)c(C[N@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1	ZINC000012206348	524741048	/nfs/dbraw/zinc/74/10/48/524741048.db2.gz	DPOKSJUQTRFKED-HSZRJFAPSA-N	2	1	451.611	3.737	50	10		JHCAMP
C[NH+](C)CCCNc1cc(N2CC[NH+](C3CCCCC3)CC2)c(N)c2c1C(=O)c1ccccc1C2=O	ZINC000009130700	554930620	/nfs/dbraw/zinc/93/06/20/554930620.db2.gz	JIVXFTQQUAUIKC-UHFFFAOYSA-N	2	1	489.664	3.863	50	10		JHCAMP
COc1ccc(O)c(C[N@@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1	ZINC000012206340	524736316	/nfs/dbraw/zinc/73/63/16/524736316.db2.gz	DPOKSJUQTRFKED-QHCPKHFHSA-N	2	1	451.611	3.737	50	10		JHCAMP
COc1ccc(O)c(C[N@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1	ZINC000012206340	524736327	/nfs/dbraw/zinc/73/63/27/524736327.db2.gz	DPOKSJUQTRFKED-QHCPKHFHSA-N	2	1	451.611	3.737	50	10		JHCAMP
C[NH+]1CCN(c2ccc(CNC(=O)C3CC[NH+](Cc4c(F)cccc4Cl)CC3)cc2)CC1	ZINC000067613898	569688784	/nfs/dbraw/zinc/68/87/84/569688784.db2.gz	PFJGRRJJCQUYKG-UHFFFAOYSA-N	2	1	459.009	3.759	50	10		JHCAMP
COc1cccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1O	ZINC000020451892	525939585	/nfs/dbraw/zinc/93/95/85/525939585.db2.gz	FIJMCURVBAOFEQ-QHCPKHFHSA-N	2	1	451.611	3.737	50	10		JHCAMP
COc1cccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1O	ZINC000020451892	525939596	/nfs/dbraw/zinc/93/95/96/525939596.db2.gz	FIJMCURVBAOFEQ-QHCPKHFHSA-N	2	1	451.611	3.737	50	10		JHCAMP
COc1cccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1O	ZINC000020451894	525939965	/nfs/dbraw/zinc/93/99/65/525939965.db2.gz	FIJMCURVBAOFEQ-HSZRJFAPSA-N	2	1	451.611	3.737	50	10		JHCAMP
COc1cccc(C[N@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1O	ZINC000020451894	525939972	/nfs/dbraw/zinc/93/99/72/525939972.db2.gz	FIJMCURVBAOFEQ-HSZRJFAPSA-N	2	1	451.611	3.737	50	10		JHCAMP