smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CC(N)=O)c1ccc([NH3+])cc1	20374445	572219115	/nfs/dbraw/zinc/21/91/15/572219115.db2.gz	MJIFWEZHYVPLNC-UHFFFAOYSA-N	1	2	179.223	0.190	40	10		ACCBLO
COC(=O)CNc1ccc([NH3+])cc1	20383304	168093574	/nfs/dbraw/zinc/09/35/74/168093574.db2.gz	RVMIGVAYAAAZBT-UHFFFAOYSA-N	1	2	180.207	0.854	40	10		ACCBLO
NC(=O)CNc1ccc([NH3+])cc1	20381761	169153099	/nfs/dbraw/zinc/15/30/99/169153099.db2.gz	SUVDKDKSNYZGFY-UHFFFAOYSA-N	1	2	165.196	0.166	40	10		ACCBLO
[NH3+]Cc1cc(C=O)ccc1O	95719622	169219529	/nfs/dbraw/zinc/21/95/29/169219529.db2.gz	HBFAPZJEXMEIQF-UHFFFAOYSA-N	1	2	151.165	0.663	40	10		ACCBLO
[NH3+]c1ccc(N2CC[C@@H]2CO)cc1	95775578	169292403	/nfs/dbraw/zinc/29/24/03/169292403.db2.gz	YKJGQXWXHPMZMH-SNVBAGLBSA-N	1	2	178.235	0.840	40	10		ACCBLO
[NH3+]c1ccc(N2CC[C@H]2CO)cc1	95775580	169293350	/nfs/dbraw/zinc/29/33/50/169293350.db2.gz	YKJGQXWXHPMZMH-JTQLQIEISA-N	1	2	178.235	0.840	40	10		ACCBLO
[NH3+]c1ccc(N2CC(O)C2)cc1	39082023	171080332	/nfs/dbraw/zinc/08/03/32/171080332.db2.gz	OSNKVPSQFAMADP-UHFFFAOYSA-N	1	2	164.208	0.450	40	10		ACCBLO
C[NH+](C)CC(=O)c1ccc(O)c(O)c1	54969075	343332772	/nfs/dbraw/zinc/33/27/72/343332772.db2.gz	HZOZZBGFSSJUPZ-UHFFFAOYSA-N	1	2	195.218	0.842	40	10	in-vitro	ACCBLO
COC(=O)[C@H]([NH3+])c1cc(F)ccc1O	95639709	343685036	/nfs/dbraw/zinc/68/50/36/343685036.db2.gz	KMBZYMGHDIILST-MRVPVSSYSA-N	1	2	199.181	0.704	40	10		ACCBLO
CC1(O)CN(c2ccc([NH3+])cc2)C1	116054725	343768567	/nfs/dbraw/zinc/76/85/67/343768567.db2.gz	NCUZEVSFBMYAIP-UHFFFAOYSA-N	1	2	178.235	0.840	40	10		ACCBLO
Cc1nc(N)c(C=S)c[nH+]1	165856672	344271650	/nfs/dbraw/zinc/27/16/50/344271650.db2.gz	YFEFYVMNPPIFGH-UHFFFAOYSA-N	1	2	153.210	0.715	40	10		ACCBLO
Oc1cc2[nH]c[nH+]c2cc1O	34498924	351441668	/nfs/dbraw/zinc/44/16/68/351441668.db2.gz	YBMUVGQKRPSJLS-UHFFFAOYSA-N	1	2	150.137	0.974	40	10		ACCBLO
[NH3+]Cc1cc(C=O)cc(O)c1O	225721159	351798907	/nfs/dbraw/zinc/79/89/07/351798907.db2.gz	PPISIMFDPPXJML-UHFFFAOYSA-N	1	2	167.164	0.369	40	10		ACCBLO
C[NH+](C)Cc1cc(C=O)cc(O)c1O	225721474	351798972	/nfs/dbraw/zinc/79/89/72/351798972.db2.gz	FLKWCPXIMTYGQG-UHFFFAOYSA-N	1	2	195.218	0.972	40	10		ACCBLO
COc1cc(C=O)cc(C[NH3+])c1O	225721235	351798997	/nfs/dbraw/zinc/79/89/97/351798997.db2.gz	CITIGXWQXQXBNU-UHFFFAOYSA-N	1	2	181.191	0.672	40	10		ACCBLO