smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1ccccc1CN1CCC(O)(c2ccc3oc(C(=O)NCc4ccccn4)cc3c2)CC1	ZINC000012244980	519070447	/nfs/dbraw/zinc/07/04/47/519070447.db2.gz	WWSMTXBRUHIJJA-UHFFFAOYSA-N	0	3	497.595	4.806	10	30		JJEEHN
CC1=NN(c2cccc(Br)c2)C(=O)C1=Cc1c(C)c(C#N)c2nc3ccccc3n2c1O	ZINC000016249436	520894686	/nfs/dbraw/zinc/89/46/86/520894686.db2.gz	FSANMCKFZIBYGJ-WQRHYEAKSA-N	0	3	486.329	4.942	10	30		JJEEHN
CCCCCCCCCCCCCCCCCCOC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](C)N	ZINC000014286912	555791344	/nfs/dbraw/zinc/79/13/44/555791344.db2.gz	MZIHPOHBHQOCFS-PKTZIBPZSA-N	0	3	469.711	4.889	10	30		JJEEHN
C#CCN[C@@H]1C[C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)OC)N2[C@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000035424255	560081121	/nfs/dbraw/zinc/08/11/21/560081121.db2.gz	NRZRNXUBQPXQKT-ABQRKTDGSA-N	0	3	481.518	4.754	10	30	biogenic	JJEEHN