smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N@H+]2C[C@H](C)C[C@H](C)C2)c(N)c1	ZINC000213360451	132299865	/nfs/dbraw/zinc/29/98/65/132299865.db2.gz	VKJFGWQLMLYRLD-PHIMTYICSA-N	1	2	234.343	2.760	40	10		BFCBLO
COc1ccc([N@@H+]2C[C@H](C)C[C@H](C)C2)c(N)c1	ZINC000213360451	132299868	/nfs/dbraw/zinc/29/98/68/132299868.db2.gz	VKJFGWQLMLYRLD-PHIMTYICSA-N	1	2	234.343	2.760	40	10		BFCBLO
COc1ccc([NH+]2C[C@@H](C)C[C@H](C)C2)c(N)c1	ZINC000213360509	536707807	/nfs/dbraw/zinc/70/78/07/536707807.db2.gz	VKJFGWQLMLYRLD-QWRGUYRKSA-N	1	2	234.343	2.760	40	10		BFCBLO
CCNc1cc(Nc2ccc(N)cc2)nc(C)[nH+]1	ZINC000217511763	170172701	/nfs/dbraw/zinc/17/27/01/170172701.db2.gz	OSUUSBQMUKBZPI-UHFFFAOYSA-N	1	2	243.314	2.543	40	10		BFCBLO
Cc1cc(CO)c(C)n1-c1ccc([NH+](C)C)cc1	ZINC000008701677	178045465	/nfs/dbraw/zinc/04/54/65/178045465.db2.gz	CUMHXXUWGZHNFD-UHFFFAOYSA-N	1	2	244.338	2.652	40	10		BFCBLO
Nc1ccc([NH+]2CCC(n3cccc3)CC2)cc1	ZINC000005323849	132317229	/nfs/dbraw/zinc/31/72/29/132317229.db2.gz	XOSYLMNRUDEJQH-UHFFFAOYSA-N	1	2	241.338	2.912	40	10		BFCBLO
COc1ccc([NH+]2[C@H](C)CC[C@H]2C)cc1N	ZINC000008732786	398274974	/nfs/dbraw/zinc/27/49/74/398274974.db2.gz	QWZXSYRWDWUGGR-NXEZZACHSA-N	1	2	220.316	2.655	40	10		BFCBLO
COc1cccc(CNc2ccc[nH+]c2C)c1O	ZINC000091495406	369420173	/nfs/dbraw/zinc/42/01/73/369420173.db2.gz	AWUBWEARDHIFCK-UHFFFAOYSA-N	1	2	244.294	2.716	40	10		BFCBLO
Nc1ccc(Oc2ccc3[nH]c[nH+]c3c2)cc1	ZINC000080443121	384558680	/nfs/dbraw/zinc/55/86/80/384558680.db2.gz	DNELCUCKVLCPIV-UHFFFAOYSA-N	1	2	225.251	2.937	40	10		BFCBLO
COc1ccc([NH+]2[C@@H](C)CC[C@@H]2C)cc1N	ZINC000008732785	491097272	/nfs/dbraw/zinc/09/72/72/491097272.db2.gz	QWZXSYRWDWUGGR-UWVGGRQHSA-N	1	2	220.316	2.655	40	10		BFCBLO
COc1ccc([NH+]2C[C@H](C)C[C@@H](C)C2)c(N)c1	ZINC000213360570	132299855	/nfs/dbraw/zinc/29/98/55/132299855.db2.gz	VKJFGWQLMLYRLD-GHMZBOCLSA-N	1	2	234.343	2.760	40	10		BFCBLO
COc1ccc([N@H+]2[C@H](C)CC[C@@H]2C)cc1N	ZINC000017957892	398274736	/nfs/dbraw/zinc/27/47/36/398274736.db2.gz	QWZXSYRWDWUGGR-AOOOYVTPSA-N	1	2	220.316	2.655	40	10		BFCBLO
COc1ccc([N@@H+]2[C@H](C)CC[C@@H]2C)cc1N	ZINC000017957892	398274738	/nfs/dbraw/zinc/27/47/38/398274738.db2.gz	QWZXSYRWDWUGGR-AOOOYVTPSA-N	1	2	220.316	2.655	40	10		BFCBLO
COc1cccc(CNc2c[nH+]ccc2C)c1O	ZINC000071413393	175269223	/nfs/dbraw/zinc/26/92/23/175269223.db2.gz	YJUKMRWVGPRWMH-UHFFFAOYSA-N	1	2	244.294	2.716	40	10		BFCBLO