smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCN(c2ccc(OC)cc2)CC1	ZINC000015679426	568966308	/nfs/dbraw/zinc/96/63/08/568966308.db2.gz	CDYIPEARJBSYPS-UHFFFAOYSA-N	0	0	413.518	2.072	10	10		HECERN
COc1cc([C@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@@H]2CO)cc(O)c1O	ZINC000013400255	291207263	/nfs/dbraw/zinc/20/72/63/291207263.db2.gz	ATBGMZCSYDMJJM-RHSMWYFYSA-N	0	0	402.355	2.095	10	10	biogenic	HECERN
CC(=O)Nc1ccc([N+](=O)[O-])c2c1C(=O)c1c(NC(C)=O)ccc([N+](=O)[O-])c1C2=O	ZINC000044710045	519734535	/nfs/dbraw/zinc/73/45/35/519734535.db2.gz	QZNQEOQENXBFPL-UHFFFAOYSA-N	0	0	412.314	2.195	10	10		HECERN
COc1ccc(N2CCN(C(=O)c3noc4ncnc(N5CCCC5)c34)CC2)cc1	ZINC000009688005	536690919	/nfs/dbraw/zinc/69/09/19/536690919.db2.gz	LRYQUEJLMLDIDJ-UHFFFAOYSA-N	0	0	408.462	2.189	10	10		HECERN
COc1ccc(N2CCN(C(=O)CN3c4cc(C)ccc4O[C@H](C)C3=O)CC2)cc1	ZINC000001362178	132244852	/nfs/dbraw/zinc/24/48/52/132244852.db2.gz	VUQXPYNFRRDQPT-QGZVFWFLSA-N	0	0	409.486	2.466	10	10		HECERN
COc1ccc(N2CCN(C(=O)CN3c4cc(C)ccc4O[C@@H](C)C3=O)CC2)cc1	ZINC000001362181	132244850	/nfs/dbraw/zinc/24/48/50/132244850.db2.gz	VUQXPYNFRRDQPT-KRWDZBQOSA-N	0	0	409.486	2.466	10	10		HECERN
CCN1CCN(C(=O)C(=Cc2ccc(N(C)C)cc2)Sc2nnc(C)[nH]2)CC1	ZINC000048513206	558845519	/nfs/dbraw/zinc/84/55/19/558845519.db2.gz	ZTHZJKWSYBMKEY-NBVRZTHBSA-N	0	0	400.552	2.476	10	10		HECERN
Cc1nn(CC(=O)NCc2ccc(N(C)C)cc2)c(=O)c2cc3cc(F)ccc3n21	ZINC000006749942	568458433	/nfs/dbraw/zinc/45/84/33/568458433.db2.gz	OMCVFLOAFCABOA-UHFFFAOYSA-N	0	0	407.449	2.479	10	10		HECERN
Cc1cc(/C=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(C)C2=O)c(C)n1C	ZINC000005274802	557643193	/nfs/dbraw/zinc/64/31/93/557643193.db2.gz	DQFCEQNOFGXXOG-UNOMPAQXSA-N	0	0	415.515	2.180	10	10		HECERN
COc1ccc(-c2nc3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n3n2)cc1OC	ZINC000002389608	557343443	/nfs/dbraw/zinc/34/34/43/557343443.db2.gz	JSWZBQDTBRBSIM-WOJGMQOQSA-N	0	0	408.483	2.449	10	10		HECERN
COc1ccc(C=C2C(=O)NC(=S)N(C)C2=O)cc1I	ZINC000020220043	558348856	/nfs/dbraw/zinc/34/88/56/558348856.db2.gz	HOEODVLFWNDQMB-VMPITWQZSA-N	0	0	402.213	2.397	10	10		HECERN