smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cc(C)no2)c([O-])c1	ZINC000012154149	563363157	/nfs/dbraw/zinc/36/31/57/563363157.db2.gz	MLEYWUWQPDTSLN-MRXNPFEDSA-N	0	3	316.401	3.815	40	10		DHCBHN
COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cc(C)no2)c([O-])c1	ZINC000012154149	563363161	/nfs/dbraw/zinc/36/31/61/563363161.db2.gz	MLEYWUWQPDTSLN-MRXNPFEDSA-N	0	3	316.401	3.815	40	10		DHCBHN
COCCNCc1cc(C)n(-c2ccc(Cl)cc2C)c1C	ZINC000223672867	201653166	/nfs/dbraw/zinc/65/31/66/201653166.db2.gz	XQBNOCXDKUPSTK-UHFFFAOYSA-N	0	3	306.837	3.792	40	10		DHCBHN
COCCNCc1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	ZINC000223673867	563735049	/nfs/dbraw/zinc/73/50/49/563735049.db2.gz	YHDBTDHYLKSOJK-UHFFFAOYSA-N	0	3	306.837	3.792	40	10		DHCBHN
CN(C)CC1=CC(=NNc2ccccc2)C=C(CN(C)C)C1=O	ZINC000006005906	181304742	/nfs/dbraw/zinc/30/47/42/181304742.db2.gz	JCIFNCVBECKXEV-FMQUCBEESA-N	0	3	312.417	3.931	40	10		DHCBHN
COCCNCc1cc(C)n(-c2cc(Cl)ccc2C)c1C	ZINC000223673385	563735059	/nfs/dbraw/zinc/73/50/59/563735059.db2.gz	HZQCAWWPNJMZIM-UHFFFAOYSA-N	0	3	306.837	3.792	40	10		DHCBHN
CN(C)CC1=CC(=NNc2ccccc2)C=C(CN(C)C)C1=O	ZINC000104312738	563563817	/nfs/dbraw/zinc/56/38/17/563563817.db2.gz	JCIFNCVBECKXEV-VXPUYCOJSA-N	0	3	312.417	3.931	40	10		DHCBHN
C[NH+](C)CCN(Cc1cccs1)Cc1cc(Cl)ccc1[O-]	ZINC000019582675	182132016	/nfs/dbraw/zinc/13/20/16/182132016.db2.gz	BTQQRWUXQITFRV-UHFFFAOYSA-N	0	3	324.877	3.671	40	10		DHCBHN
COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cc(C)no2)c([O-])c1	ZINC000012154150	563363421	/nfs/dbraw/zinc/36/34/21/563363421.db2.gz	MLEYWUWQPDTSLN-INIZCTEOSA-N	0	3	316.401	3.815	40	10		DHCBHN
COc1ccc(C[N@H+]2CCCCC[C@H]2c2cc(C)no2)c([O-])c1	ZINC000012154150	563363424	/nfs/dbraw/zinc/36/34/24/563363424.db2.gz	MLEYWUWQPDTSLN-INIZCTEOSA-N	0	3	316.401	3.815	40	10		DHCBHN
COCCNCc1cc(C)n(-c2cccc(Cl)c2C)c1C	ZINC000223672279	563735200	/nfs/dbraw/zinc/73/52/00/563735200.db2.gz	OEHRRDQOFIQYMH-UHFFFAOYSA-N	0	3	306.837	3.792	40	10		DHCBHN
[O-]c1c2ccccc2ccc1[C@H](c1ccccc1)[NH+]1CCOCC1	ZINC000031658826	563440326	/nfs/dbraw/zinc/44/03/26/563440326.db2.gz	RBAHJVKVIABDMN-FQEVSTJZSA-N	0	3	319.404	3.967	40	10		DHCBHN
[O-]c1c2ccccc2ccc1[C@@H](c1ccccc1)[NH+]1CCOCC1	ZINC000031658829	563440341	/nfs/dbraw/zinc/44/03/41/563440341.db2.gz	RBAHJVKVIABDMN-HXUWFJFHSA-N	0	3	319.404	3.967	40	10		DHCBHN