smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)/C=C\c4cccc(Cl)c4)ccc3n2)CC1	ZINC000064251921	563152613	/nfs/dbraw/zinc/15/26/13/563152613.db2.gz	MJIPCUCCHJCHRN-YFHOEESVSA-N	1	0	434.971	4.990	10	10		IJCERO
CCN(CC[N+](C)(C)C[C@H](C)O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000031351341	717120073	/nfs/dbraw/zinc/12/00/73/717120073.db2.gz	BIOVUACJQYBICE-FTOHGRHOSA-N	1	0	434.948	4.947	10	10		IJCERO
COc1cccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3O)CC2)c1	ZINC000034683419	555818696	/nfs/dbraw/zinc/81/86/96/555818696.db2.gz	VPISWAWPHAYFBB-UHFFFAOYSA-N	1	0	434.511	4.851	10	10		IJCERO
C[NH+]1CCN(c2ccccc2/C=C2\SCCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1	ZINC000000538642	562918122	/nfs/dbraw/zinc/91/81/22/562918122.db2.gz	LHYMPSWMHXUWSK-STZFKDTASA-N	1	0	448.419	4.866	10	10	investigational	IJCERO
CCN(CC[N+](C)(C)C[C@@H](C)O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000031351339	717119785	/nfs/dbraw/zinc/11/97/85/717119785.db2.gz	BIOVUACJQYBICE-QOJBGXHZSA-N	1	0	434.948	4.947	10	10		IJCERO
CCOc1ccccc1N1CC[NH+](Cc2cc(-c3cc(OC)ccc3OC)ccc2O)CC1	ZINC000055197246	569297080	/nfs/dbraw/zinc/29/70/80/569297080.db2.gz	SSGYODKTYAQKQM-UHFFFAOYSA-N	1	0	448.563	4.797	10	10		IJCERO
COc1ccccc1CC[NH2+][C@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O	ZINC000020274823	557004974	/nfs/dbraw/zinc/00/49/74/557004974.db2.gz	UHCPVOKANKFBAQ-XJPNONJMSA-N	1	0	428.492	4.575	10	10		IJCERO
CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)/C=C\c4ccccc4Cl)ccc3n2)CC1	ZINC000064245759	563152505	/nfs/dbraw/zinc/15/25/05/563152505.db2.gz	JTPVKCHYAFRZLA-FLIBITNWSA-N	1	0	434.971	4.990	10	10		IJCERO
CNc1ccc(NCCC[N+](C)(C)Cc2ccccc2)c2c1C(=O)c1ccccc1C2=O	ZINC000033607583	717121535	/nfs/dbraw/zinc/12/15/35/717121535.db2.gz	FUEWBVOCEJFBHF-UHFFFAOYSA-O	1	0	428.556	4.582	10	10		IJCERO
Cc1ccc(N(C2CC[NH+](Cc3ccccc3O)CC2)S(=O)(=O)c2ccccc2)cc1	ZINC000034683950	555819434	/nfs/dbraw/zinc/81/94/34/555819434.db2.gz	YQJDJJGMVMWZMS-UHFFFAOYSA-N	1	0	436.577	4.561	10	10		IJCERO
COc1ccccc1CC[NH2+][C@@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O	ZINC000103550447	557316224	/nfs/dbraw/zinc/31/62/24/557316224.db2.gz	UHCPVOKANKFBAQ-RBGJJZJSSA-N	1	0	428.492	4.575	10	10		IJCERO