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(NCCN1CCNC1=O)c1ncccc1[O-]	ZINC000217001322	352232281	/nfs/dbraw/zinc/23/22/81/352232281.db2.gz	XQTIMEKBWGPQRL-UHFFFAOYSA-N	-1	1	250.258	-0.458	50	70		CBIAMM
COCCn1cnnc1CCNC(=O)c1ncccc1[O-]	ZINC000218722561	352236036	/nfs/dbraw/zinc/23/60/36/352236036.db2.gz	AOQNTNWHZOCXHE-UHFFFAOYSA-N	-1	1	291.311	-0.002	50	70		CBIAMM
CN[C@@H](C(=O)NCc1n[nH]c(=O)[n-]1)c1ccccc1	ZINC000218140768	352234961	/nfs/dbraw/zinc/23/49/61/352234961.db2.gz	GDUWYUZVQZLDII-SNVBAGLBSA-N	-1	1	261.285	-0.325	50	70		CBIAMM
O=C(N[C@@H]1CCOC[C@H]1O)c1cnc(C2CC2)[n-]c1=O	ZINC000218661962	352236190	/nfs/dbraw/zinc/23/61/90/352236190.db2.gz	FHHDGZDZYAEYDW-NXEZZACHSA-N	-1	1	279.296	-0.473	50	70		CBIAMM
CN[C@H](C(=O)NCc1n[nH]c(=O)[n-]1)c1ccccc1	ZINC000218140848	352234892	/nfs/dbraw/zinc/23/48/92/352234892.db2.gz	GDUWYUZVQZLDII-JTQLQIEISA-N	-1	1	261.285	-0.325	50	70		CBIAMM
O=C(N[C@@H]1COCC[C@H]1O)c1cnc(C2CC2)[n-]c1=O	ZINC000218084507	352235174	/nfs/dbraw/zinc/23/51/74/352235174.db2.gz	ODTLBKCKRITESE-NXEZZACHSA-N	-1	1	279.296	-0.473	50	70		CBIAMM