smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)[nH+]1	ZINC000002747021	563448381	/nfs/dbraw/zinc/44/83/81/563448381.db2.gz	MVVZVJGMTSSYNJ-FQEVSTJZSA-N	1	1	341.414	4.845	40	10		EJCBMO
Cc1cc[nH+]c(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)c1	ZINC000001587769	564095650	/nfs/dbraw/zinc/09/56/50/564095650.db2.gz	PKUYZMYEHWGCMG-FQEVSTJZSA-N	1	1	341.414	4.845	40	10		EJCBMO
Cc1cccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)[nH+]1	ZINC000002747022	563448427	/nfs/dbraw/zinc/44/84/27/563448427.db2.gz	MVVZVJGMTSSYNJ-HXUWFJFHSA-N	1	1	341.414	4.845	40	10		EJCBMO
Cc1ccc(C)n1-c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1	ZINC000072216751	563985581	/nfs/dbraw/zinc/98/55/81/563985581.db2.gz	NFLPKUXPNHBONZ-NRFANRHFSA-N	1	1	331.463	4.826	40	10		EJCBMO
C[NH+](C)Cc1cc(C(C)(C)CC(C)(C)C)cc(Br)c1O	ZINC000001706346	563405467	/nfs/dbraw/zinc/40/54/67/563405467.db2.gz	NIZZDYSSGLVFAM-UHFFFAOYSA-N	1	1	342.321	4.930	40	10		EJCBMO
CC[N@@H+](C)Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1O	ZINC000584577187	564086133	/nfs/dbraw/zinc/08/61/33/564086133.db2.gz	CICBOMVEPRQYQZ-UHFFFAOYSA-N	1	1	341.842	4.789	40	10		EJCBMO
CCn1c2ccccc2c2cc(/N=N/c3ccc(N)[nH+]c3N)ccc21	ZINC000017139778	563838076	/nfs/dbraw/zinc/83/80/76/563838076.db2.gz	MCCNUGZOMUPADR-WCWDXBQESA-N	1	1	330.395	4.789	40	10		EJCBMO
Cc1cc[nH+]c(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)c1	ZINC000008581347	564066644	/nfs/dbraw/zinc/06/66/44/564066644.db2.gz	PKUYZMYEHWGCMG-HXUWFJFHSA-N	1	1	341.414	4.845	40	10		EJCBMO
Cc1ccc(C)n1-c1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1	ZINC000072216812	563985593	/nfs/dbraw/zinc/98/55/93/563985593.db2.gz	CJNJDRIFWPDXMK-OAQYLSRUSA-N	1	1	331.463	4.826	40	10		EJCBMO
Cc1ccc(C)n1-c1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1	ZINC000072216811	563985571	/nfs/dbraw/zinc/98/55/71/563985571.db2.gz	CJNJDRIFWPDXMK-NRFANRHFSA-N	1	1	331.463	4.826	40	10		EJCBMO
CCn1c2ccccc2c2cc(/N=N\c3ccc(N)[nH+]c3N)ccc21	ZINC000104230288	219363491	/nfs/dbraw/zinc/36/34/91/219363491.db2.gz	MCCNUGZOMUPADR-VHXPQNKSSA-N	1	1	330.395	4.789	40	10		EJCBMO
Cc1ccc(C)n1-c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1	ZINC000072216752	563985554	/nfs/dbraw/zinc/98/55/54/563985554.db2.gz	NFLPKUXPNHBONZ-OAQYLSRUSA-N	1	1	331.463	4.826	40	10		EJCBMO