smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN(C(=O)CCN3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)CC2)cc1	ZINC000004686840	536678430	/nfs/dbraw/zinc/67/84/30/536678430.db2.gz	OAKBAFUSVKYVIF-LPTDTENNSA-N	0	0	409.486	1.541	1	10		HDCFRN
COc1ccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)CC2)cc1	ZINC000004686841	536679681	/nfs/dbraw/zinc/67/96/81/536679681.db2.gz	OAKBAFUSVKYVIF-GQSCTRQFSA-N	0	0	409.486	1.541	1	10		HDCFRN
COc1ccc(N2CCN(C(=O)CCCN3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)CC2)cc1	ZINC000004192374	536678316	/nfs/dbraw/zinc/67/83/16/536678316.db2.gz	JTFANDOZPHVXMB-NEAWWFDSSA-N	0	0	423.513	1.931	1	10		HDCFRN
COc1ccc(N2CCN(C(=O)Cn3nnc(-c4ccc(N(C)C)cc4)n3)CC2)cc1	ZINC000001223076	536685178	/nfs/dbraw/zinc/68/51/78/536685178.db2.gz	SLDWCDHKIGVMNJ-UHFFFAOYSA-N	0	0	421.505	1.764	3	10		HDCFRN
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O)C[C@@]1(C)O)C(=O)c1c(O)ccc(O)c1C3=O	ZINC000014684524	560224353	/nfs/dbraw/zinc/22/43/53/560224353.db2.gz	ZBSRQGXAWDQXFX-SBOBAANCSA-N	0	0	414.366	1.024	1	10	in-vitro	HDCFRN
COc1ccc(N2CCN(C(=O)CCCN3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)CC2)cc1	ZINC000004192375	536678634	/nfs/dbraw/zinc/67/86/34/536678634.db2.gz	JTFANDOZPHVXMB-YVCBRDFCSA-N	0	0	423.513	1.931	1	10		HDCFRN
Nc1ccc(CC[C@]2(CO)Oc3cc4oc(CO)cc(O)c-4c(=O)c3C[C@H]2O)cc1	ZINC000085593579	291199439	/nfs/dbraw/zinc/19/94/39/291199439.db2.gz	KWBZIBLPBRWJGM-DENIHFKCSA-N	0	0	413.426	1.233	1	10	biogenic,in-vitro	HDCFRN
COc1ccc(N2CCN(S(=O)(=O)c3ccc(-n4cnnn4)c(C)c3)CC2)cc1	ZINC000001342025	132244443	/nfs/dbraw/zinc/24/44/43/132244443.db2.gz	XDOHZNZPFUOZKW-UHFFFAOYSA-N	0	0	414.491	1.490	3	10		HDCFRN
C[NH2+][C@@H]1C=CCOc2cc3c(c([O-])c21)C(=O)c1c(cc(OC)c(O)c1C(O)O)C3=O	ZINC000085486894	291194497	/nfs/dbraw/zinc/19/44/97/291194497.db2.gz	JLKNLYPQNJHUTR-SNVBAGLBSA-N	0	0	413.382	1.074	1	10	biogenic,in-vitro	HDCFRN
CC[C@@H](O)C[C@@H](O)c1c(CC(=O)OC)cc2c(c1O)C(=O)c1c(O)cccc1C2=O	ZINC000012504441	560212704	/nfs/dbraw/zinc/21/27/04/560212704.db2.gz	SIHNJMGWRHPFAZ-IAQYHMDHSA-N	0	0	414.410	1.783	1	10	in-vitro	HDCFRN
COc1ccc(N2CCN(S(=O)(=O)c3c(C)nc4sccn4c3=O)CC2)cc1	ZINC000009116892	132336048	/nfs/dbraw/zinc/33/60/48/132336048.db2.gz	ZUEDRHSTMBBQRO-UHFFFAOYSA-N	0	0	420.516	1.584	3	10		HDCFRN