smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1cc(Cl)ccc1[O-]	ZINC000217902558	569454820	/nfs/dbraw/zinc/45/48/20/569454820.db2.gz	LYXULFAAVFOYGI-QFIPXVFZSA-N	-1	3	447.878	4.189	50	70	biogenic	IIIAHM
COc1ccc(Cc2nc([N-]C(=O)c3sc(-c4ccc(OC)cc4)nc3C)n[nH]2)cc1	ZINC000218506009	557203843	/nfs/dbraw/zinc/20/38/43/557203843.db2.gz	JWAWCATYOSECCB-UHFFFAOYSA-N	-1	3	435.509	4.097	50	70		IIIAHM
COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCCC(=O)Nc2ccccc2[O-])cc1	ZINC000217948393	569455112	/nfs/dbraw/zinc/45/51/12/569455112.db2.gz	YWUOGJVVCZHSCS-DEOSSOPVSA-N	-1	3	431.492	4.386	50	70	biogenic	IIIAHM
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1cc(Cl)ccc1[O-]	ZINC000217902488	568901726	/nfs/dbraw/zinc/90/17/26/568901726.db2.gz	LYXULFAAVFOYGI-JOCHJYFZSA-N	-1	3	447.878	4.189	50	70	biogenic	IIIAHM
O=C1C[C@@H](c2ccc3c(c2)OCCO3)c2c(ccc3c(=O)c(-c4ccc([O-])cc4)coc32)O1	ZINC000217622903	569450349	/nfs/dbraw/zinc/45/03/49/569450349.db2.gz	JDGLLFLXLWRZJF-SFHVURJKSA-N	-1	3	442.423	4.378	50	70	biogenic	IIIAHM
Cn1c(CCCNC(=O)c2c[n-]c3ccc(OC(F)(F)F)cc3c2=O)nc2ccccc21	ZINC000218557751	557207310	/nfs/dbraw/zinc/20/73/10/557207310.db2.gz	PKZMUKIBELFUBL-UHFFFAOYSA-N	-1	3	444.413	4.088	50	70		IIIAHM
O=C1C[C@H](c2ccc3c(c2)OCCO3)c2c(ccc3c(=O)c(-c4ccc([O-])cc4)coc32)O1	ZINC000217622986	569450400	/nfs/dbraw/zinc/45/04/00/569450400.db2.gz	JDGLLFLXLWRZJF-GOSISDBHSA-N	-1	3	442.423	4.378	50	70	biogenic	IIIAHM
COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCCC(=O)Nc2ccccc2[O-])cc1	ZINC000217948317	569455090	/nfs/dbraw/zinc/45/50/90/569455090.db2.gz	YWUOGJVVCZHSCS-XMMPIXPASA-N	-1	3	431.492	4.386	50	70	biogenic	IIIAHM