smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2c3nn(CCN(C)C)c4cc5c(c(oc12)c43)C=CC(C)(C)O5	ZINC000026575944	210500324	/nfs/dbraw/zinc/50/03/24/210500324.db2.gz	SGOGJXXSYFPGJQ-UHFFFAOYSA-N	0	3	391.471	4.690	1	5		GJBFHN
COc1ccc2c(c1)CN1C(=N2)CS[C@@H]1c1cc([N+](=O)[O-])ccc1Cl	ZINC000001865073	209341808	/nfs/dbraw/zinc/34/18/08/209341808.db2.gz	XLTKGSJZLBPBBR-QGZVFWFLSA-N	0	3	375.837	4.548	1	5		GJBFHN
CN1CCN(c2c3c4ccccc4nc-3n(C)c3ccc(C(F)(F)F)cc32)CC1	ZINC000103172635	536417869	/nfs/dbraw/zinc/41/78/69/536417869.db2.gz	IMVRSMJBVJPRNH-UHFFFAOYSA-N	0	3	398.432	4.602	1	5		GJBFHN
CCc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2[C@@H](O)[C@H]2CCCN2C1	ZINC000066259905	211002149	/nfs/dbraw/zinc/00/21/49/211002149.db2.gz	HQLMQXGIZHMQJJ-YKSBVNFPSA-N	0	3	377.484	4.584	1	5		GJBFHN
COc1ccc2c(c1)CN1C(=N2)CS[C@H]1c1cc([N+](=O)[O-])ccc1Cl	ZINC000006019824	204161128	/nfs/dbraw/zinc/16/11/28/204161128.db2.gz	XLTKGSJZLBPBBR-KRWDZBQOSA-N	0	3	375.837	4.548	1	5		GJBFHN
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1OC)CN1CCC[C@H]1C3	ZINC000038796306	560086042	/nfs/dbraw/zinc/08/60/42/560086042.db2.gz	ZRGRTHUWZSWRSQ-AWEZNQCLSA-N	0	3	393.483	4.548	1	5	biogenic,in-vitro	GJBFHN
CCN(CC)CCNc1c2c(cc3oc4ccccc4c(=O)c31)OC(C)(C)C=C2	ZINC000029231228	207358951	/nfs/dbraw/zinc/35/89/51/207358951.db2.gz	IOLGSVQUUTWJAO-UHFFFAOYSA-N	0	3	392.499	4.884	1	5		GJBFHN
CN(C)CCN1C(=O)c2cccc3cc4ccc(-c5ccccc5)cc4c(c32)C1=O	ZINC000027555763	207327863	/nfs/dbraw/zinc/32/78/63/207327863.db2.gz	XGWPTXVPIVRWBR-UHFFFAOYSA-N	0	3	394.474	4.818	1	5		GJBFHN
C[N+]1(CCCCCCOc2cc(=O)c3c([O-])c4ccccc4oc-3c2)CCCC1	ZINC000299830139	717181346	/nfs/dbraw/zinc/18/13/46/717181346.db2.gz	NCQVSOHFXSNWGR-UHFFFAOYSA-O	0	3	396.507	4.831	1	5		GJBFHN
C[N+]1(CCCCCCOc2cc([O-])c3c(c2)oc2ccccc2c3=O)CCCC1	ZINC000299830139	717181348	/nfs/dbraw/zinc/18/13/48/717181348.db2.gz	NCQVSOHFXSNWGR-UHFFFAOYSA-O	0	3	396.507	4.831	1	5		GJBFHN
CCc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2[C@H](O)[C@@H]2CCCN2C1	ZINC000066259904	222139701	/nfs/dbraw/zinc/13/97/01/222139701.db2.gz	HQLMQXGIZHMQJJ-GBXCKJPGSA-N	0	3	377.484	4.584	1	5		GJBFHN
COc1ccc2c(c1)CN1C(=N2)CS[C@@H]1c1c(Cl)cccc1[N+](=O)[O-]	ZINC000001865077	212259390	/nfs/dbraw/zinc/25/93/90/212259390.db2.gz	ZOURWWZPLJKIOU-QGZVFWFLSA-N	0	3	375.837	4.548	1	5		GJBFHN
CCOc1cc2c3cc(O)ccc3c3c(c2cc1OCC)CN1CCC[C@H]1[C@H]3O	ZINC000066259525	222139128	/nfs/dbraw/zinc/13/91/28/222139128.db2.gz	QPVURBGIVVOVFI-GBXCKJPGSA-N	0	3	393.483	4.507	1	5		GJBFHN