smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccnc1C1=CCN(C)CC1	36237986	1169074096	/nfs/dbraw/zinc/07/40/96/1169074096.db2.gz	PBTQEIWIXICWQO-UHFFFAOYSA-N	0	3	188.274	2.109	1	0		AEAFHN
C1=C(c2cccs2)[C@H]2CC[C@@H]1N2	73164515	166073808	/nfs/dbraw/zinc/07/38/08/166073808.db2.gz	ZGCURIIJLKXIIG-IONNQARKSA-N	0	3	177.272	2.266	1	0		AEAFHN
C=C=CCN(C)Cc1ccccc1	2018321	166152756	/nfs/dbraw/zinc/15/27/56/166152756.db2.gz	PQOJGRQWTLRKFM-UHFFFAOYSA-N	0	3	173.259	2.460	1	0		AEAFHN
CCN(C)[C@@H]1CCCc2ccncc21	27181116	167144923	/nfs/dbraw/zinc/14/49/23/167144923.db2.gz	GPCVUHGDQJVKPL-GFCCVEGCSA-N	0	3	190.290	2.411	1	0		AEAFHN
CCN(C)[C@H]1CCCc2ccncc21	27181122	167150794	/nfs/dbraw/zinc/15/07/94/167150794.db2.gz	GPCVUHGDQJVKPL-LBPRGKRZSA-N	0	3	190.290	2.411	1	0		AEAFHN
CN(C)[C@H]1CCCc2ncccc21	43078742	167851948	/nfs/dbraw/zinc/85/19/48/167851948.db2.gz	MWCGLQVTRULHIL-NSHDSACASA-N	0	3	176.263	2.021	1	0		AEAFHN
c1cnc2c(c1)CCN1CCCC[C@@H]21	27728112	171046512	/nfs/dbraw/zinc/04/65/12/171046512.db2.gz	JWBLYAGFFUSJCB-NSHDSACASA-N	0	3	188.274	2.165	1	0		AEAFHN
c1cnc2c(c1)CCN1CCCC[C@H]21	27728117	171046586	/nfs/dbraw/zinc/04/65/86/171046586.db2.gz	JWBLYAGFFUSJCB-LLVKDONJSA-N	0	3	188.274	2.165	1	0		AEAFHN
CN1CC12C1CC3CC(C1)CC2C3	28900959	171048004	/nfs/dbraw/zinc/04/80/04/171048004.db2.gz	UDPMPUCFFSBXKS-UHFFFAOYSA-N	0	3	177.291	2.127	1	0		AEAFHN
CN1CC=C(c2ccc(F)cc2)C1	40421660	171080543	/nfs/dbraw/zinc/08/05/43/171080543.db2.gz	PYIRSTZYFTYOPL-UHFFFAOYSA-N	0	3	177.222	2.155	1	0		AEAFHN
CN1CC=C(C(C)(C)C)CC1	5351707	171221466	/nfs/dbraw/zinc/22/14/66/171221466.db2.gz	OIYHBEVTDGYUAU-UHFFFAOYSA-N	0	3	153.269	2.294	1	0		AEAFHN