smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1c(N=Nc2nn[n-]n2)ccc2ccccc21	ZINC000100368089	183253134	/nfs/dbraw/zinc/25/31/34/183253134.db2.gz	WTOMASUNAPBPMR-SEYXRHQNSA-N	-1	1	240.226	2.474	40	10		BECBMM
Cc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O	ZINC000014488654	178292222	/nfs/dbraw/zinc/29/22/22/178292222.db2.gz	RNJHIYAJJKOFIO-UHFFFAOYSA-N	-1	1	238.242	2.476	40	10	biogenic,in-vitro	BECBMM
O=C1[N-]C(=S)C(=Cc2ccco2)S1	ZINC000002554130	383973449	/nfs/dbraw/zinc/97/34/49/383973449.db2.gz	UNLVAIRUOAPPGK-XQRVVYSFSA-N	-1	1	211.267	2.404	40	10		BECBMM
Nc1ccc(NC(=O)c2ccccc2[O-])cc1	ZINC000000072666	342672745	/nfs/dbraw/zinc/67/27/45/342672745.db2.gz	ACVACKIEZDGXND-UHFFFAOYSA-N	-1	1	228.251	2.227	40	10		BECBMM
CCN(CC)c1ccc(N=Nc2nn[n-]n2)cc1	ZINC000012559250	384324685	/nfs/dbraw/zinc/32/46/85/384324685.db2.gz	VWDQYYXKKLHIBC-OUKQBFOZSA-N	-1	1	245.290	2.461	40	10		BECBMM
O=C1[N-]C(=S)SC1=CNc1ccccc1	ZINC000103304922	187207587	/nfs/dbraw/zinc/20/75/87/187207587.db2.gz	FCNKIZXPLHJALF-VURMDHGXSA-N	-1	1	236.321	2.088	40	10		BECBMM
C[C@H](N=Nc1nn[n-]n1)N=Nc1ccccc1	ZINC000017024942	342919507	/nfs/dbraw/zinc/91/95/07/342919507.db2.gz	NDSJCTZOWWRLBQ-QSYCZCMOSA-N	-1	1	230.235	2.413	40	10		BECBMM
CCCC(C)=C1SC(=S)[N-]C1=O	ZINC000040541553	384584869	/nfs/dbraw/zinc/58/48/69/384584869.db2.gz	GZEDVTSCFDNZSC-WAYWQWQTSA-N	-1	1	201.316	2.208	40	10		BECBMM
C[C@H](N=Nc1nn[n-]n1)N=Nc1ccccc1	ZINC000104167713	384807909	/nfs/dbraw/zinc/80/79/09/384807909.db2.gz	NDSJCTZOWWRLBQ-ZRZICWAWSA-N	-1	1	230.235	2.413	40	10		BECBMM
CC(CC(C)C)=C1SC(=S)[N-]C1=O	ZINC000040541555	384584747	/nfs/dbraw/zinc/58/47/47/384584747.db2.gz	UPDORWALEMUVJX-SREVYHEPSA-N	-1	1	215.343	2.454	40	10		BECBMM
CCSc1cc([O-])c(C(=O)OC)s1	ZINC000096510934	385249176	/nfs/dbraw/zinc/24/91/76/385249176.db2.gz	AIGQJEJNMSBLIB-UHFFFAOYSA-N	-1	1	218.299	2.352	40	10		BECBMM
C[C@H](N=Nc1nn[n-]n1)N=Nc1ccccc1	ZINC000104167716	384807728	/nfs/dbraw/zinc/80/77/28/384807728.db2.gz	NDSJCTZOWWRLBQ-WBKIZCIFSA-N	-1	1	230.235	2.413	40	10		BECBMM
[N-]=[N+]=NC=C([O-])c1ccccc1[N+](=O)[O-]	ZINC000166244556	526391543	/nfs/dbraw/zinc/39/15/43/526391543.db2.gz	RIHMTWZEHXABJH-UHFFFAOYSA-N	-1	1	206.161	2.088	40	10		BECBMM
Oc1ccc2ccccc2c1N=Nc1nn[n-]n1	ZINC000103780443	183284439	/nfs/dbraw/zinc/28/44/39/183284439.db2.gz	NWCCNBZJEHBRTP-SEYXRHQNSA-N	-1	1	240.226	2.474	40	10		BECBMM
Cc1c([O-])ccc2c1C(=O)c1ccccc1C2=O	ZINC000038255067	525877936	/nfs/dbraw/zinc/87/79/36/525877936.db2.gz	GKYPACIJAKRPRI-UHFFFAOYSA-N	-1	1	238.242	2.476	40	10		BECBMM