smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)C1=C(O)C(=O)N(CCNCCO)[C@@H]1c1cccnc1	ZINC000019972740	182172512	/nfs/dbraw/zinc/17/25/12/182172512.db2.gz	RCQULPFJNZXQDO-CYBMUJFWSA-N	0	3	305.334	-0.052	40	30		DBEBHN
CN1CCCN(C)CCNC(=O)C(CCCC#N)C(=O)NCC1	ZINC000068604517	374675360	/nfs/dbraw/zinc/67/53/60/374675360.db2.gz	TVJAHHPFWLXNHL-UHFFFAOYSA-N	0	3	323.441	-0.204	40	30		DBEBHN
CN=C(NC#N)NCCSCc1csc(NC(=N)N)n1	ZINC000018193448	392376078	/nfs/dbraw/zinc/37/60/78/392376078.db2.gz	YDDXVAXDYKBWDX-UHFFFAOYSA-N	0	3	312.428	-0.073	40	30	in-man	DBEBHN
CC(=O)C1=C(O)C(=O)N(CCNCCO)[C@H]1c1cccnc1	ZINC000019972741	182172136	/nfs/dbraw/zinc/17/21/36/182172136.db2.gz	RCQULPFJNZXQDO-ZDUSSCGKSA-N	0	3	305.334	-0.052	40	30		DBEBHN
CC1=C(N)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@H](N)[C@@H]3O	ZINC000029338282	382637665	/nfs/dbraw/zinc/63/76/65/382637665.db2.gz	XNHZZRIKMUCTHU-QTTZVWFDSA-N	0	3	320.305	-0.931	40	30	in-vitro	DBEBHN
C=CCn1c(N2CCNCC2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000062720425	378333982	/nfs/dbraw/zinc/33/39/82/378333982.db2.gz	NKYRCMOEOBQQFW-UHFFFAOYSA-N	0	3	304.354	-0.971	40	30		DBEBHN
CC1=C(N)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@H](N)[C@H]3O	ZINC000029338285	382637605	/nfs/dbraw/zinc/63/76/05/382637605.db2.gz	XNHZZRIKMUCTHU-PWCHPLFNSA-N	0	3	320.305	-0.931	40	30	in-vitro	DBEBHN