smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)[C@H]1C(=O)O[C@H]2c3cc(C)cc([O-])c3C3=C(C(=O)c4c(O[C@H]5C[C@@H](O)[C@@H](O)[C@H](C)O5)cccc4C3=O)N21	ZINC000009308123	561709005	/nfs/dbraw/zinc/70/90/05/561709005.db2.gz	BSBSCJRAEMDCHC-FTERDKBNSA-N	-1	3	549.576	3.012	10	30	in-vitro	KGEEHM
CC[C@H](C)[C@H]1C(=O)O[C@@H]2c3cc(C)cc([O-])c3C3=C(C(=O)c4c(O[C@H]5C[C@@H](O)[C@@H](O)[C@H](C)O5)cccc4C3=O)N21	ZINC000009308126	560211158	/nfs/dbraw/zinc/21/11/58/560211158.db2.gz	BSBSCJRAEMDCHC-CWFDHOKRSA-N	-1	3	549.576	3.012	10	30	in-vitro	KGEEHM
CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(Br)c([O-])c(OC)c1	ZINC000020609365	553678349	/nfs/dbraw/zinc/67/83/49/553678349.db2.gz	YBMWRHSFQAMSQZ-MENVHETRSA-N	-1	3	508.365	3.339	10	30		KGEEHM
COCCN1CCC(C(=O)N[O-])(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1	ZINC000034016163	553980316	/nfs/dbraw/zinc/98/03/16/553980316.db2.gz	NXUHVWMBPOFLMA-UHFFFAOYSA-N	-1	3	518.510	3.138	10	30	in-vitro	KGEEHM
CC[C@H](C)[C@H](NC(=O)CC(C)(C)C)C(=O)N1Cc2cc(OCC(=O)N[O-])ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1	ZINC000072117104	562723335	/nfs/dbraw/zinc/72/33/35/562723335.db2.gz	DMFYWVSGUMHBCM-TVIOGVOPSA-N	-1	3	582.698	3.439	10	30		KGEEHM
CN1CCN(c2nc(N=NCc3cc(I)ccc3O)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)CC1	ZINC000253684871	562882852	/nfs/dbraw/zinc/88/28/52/562882852.db2.gz	RPBJMJLBJAAJOW-UHFFFAOYSA-N	-1	3	575.371	3.031	10	30		KGEEHM