smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C(=O)NCC(=O)NCc1[nH+]ccn1C	ZINC000217010161	172379158	/nfs/dbraw/zinc/37/91/58/172379158.db2.gz	IOOFMNGYRNSNOS-UHFFFAOYSA-N	1	2	239.279	-0.693	50	70		BBIALO
C[C@@H](O)c1cc2n(n1)CC[N@@H+](CCO)C2	ZINC000217354722	385881965	/nfs/dbraw/zinc/88/19/65/385881965.db2.gz	WKFMHFNFRPGVLN-MRVPVSSYSA-N	1	2	211.265	-0.256	50	70		BBIALO
C[C@@H](O)c1cc2n(n1)CC[N@H+](CCO)C2	ZINC000217354722	385881962	/nfs/dbraw/zinc/88/19/62/385881962.db2.gz	WKFMHFNFRPGVLN-MRVPVSSYSA-N	1	2	211.265	-0.256	50	70		BBIALO
C[C@H](O)c1cc2n(n1)CC[N@@H+](CCO)C2	ZINC000217354812	177016736	/nfs/dbraw/zinc/01/67/36/177016736.db2.gz	WKFMHFNFRPGVLN-QMMMGPOBSA-N	1	2	211.265	-0.256	50	70		BBIALO
C[C@H](O)c1cc2n(n1)CC[N@H+](CCO)C2	ZINC000217354812	177016735	/nfs/dbraw/zinc/01/67/35/177016735.db2.gz	WKFMHFNFRPGVLN-QMMMGPOBSA-N	1	2	211.265	-0.256	50	70		BBIALO
O=C(Cn1cc[nH+]c1)N[C@@H]1COCC[C@H]1O	ZINC000217604680	182071497	/nfs/dbraw/zinc/07/14/97/182071497.db2.gz	RGSWVBDFCWFHMA-RKDXNWHRSA-N	1	2	225.248	-0.851	50	70		BBIALO