smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1	ZINC001200402035	1068396436	/nfs/dbraw/zinc/39/64/36/1068396436.db2.gz	YDMKOBIWVFRFRF-XMMPIXPASA-N	2	0	457.062	4.332	20	10		JICDRP
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1	ZINC001318095148	1066896856	/nfs/dbraw/zinc/89/68/56/1066896856.db2.gz	OEGKRSGQLWXMRI-UHFFFAOYSA-N	2	0	452.002	4.085	20	10		JICDRP
c1cncc(-c2cccc3c2C2(CN3c3cccc(OCC[NH+]4CCCC4)n3)CC[NH2+]CC2)c1	ZINC001164908605	721568672	/nfs/dbraw/zinc/56/86/72/721568672.db2.gz	QVGOQGZNKLKHTE-UHFFFAOYSA-N	2	0	455.606	4.391	20	10		JICDRP
CC(C)(C)[NH+]1CCN(Cc2c(O)ccc3ccc(O)c(CN4CC[NH+](C(C)(C)C)CC4)c32)CC1	ZINC001317945982	1066803623	/nfs/dbraw/zinc/80/36/23/1066803623.db2.gz	IYMHAWJYKYSPSC-UHFFFAOYSA-N	2	0	468.686	4.083	20	10		JICDRP
CC[NH+]1CCN(c2ccc(C[NH2+]Cc3c(C)nn(-c4ccc(F)cc4F)c3C)cc2F)CC1	ZINC001200152239	1067770700	/nfs/dbraw/zinc/77/07/00/1067770700.db2.gz	RSBCDXKFPHFAJV-UHFFFAOYSA-N	2	0	457.544	4.338	20	10		JICDRP
CN1CCN(c2ccc(C[NH2+]Cc3ccccc3C[NH+]3CCN(c4ccccc4)CC3)cc2F)CC1	ZINC001318339708	1067023272	/nfs/dbraw/zinc/02/32/72/1067023272.db2.gz	VELIPFGLQXEXHG-UHFFFAOYSA-N	2	0	487.667	4.190	20	10		JICDRP
CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(OC(F)F)cc3OC(F)F)cc2F)CC1	ZINC001200152670	1067772043	/nfs/dbraw/zinc/77/20/43/1067772043.db2.gz	ZSBHMRBPBYRJIP-UHFFFAOYSA-N	2	0	459.459	4.460	20	10		JICDRP
CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1	ZINC001200402023	1068396049	/nfs/dbraw/zinc/39/60/49/1068396049.db2.gz	YDMKOBIWVFRFRF-DEOSSOPVSA-N	2	0	457.062	4.332	20	10		JICDRP
C[NH+]1CCC(Oc2ccnc(N3CC4(CC[NH2+]CC4)c4c3cccc4-c3cccnc3)c2)CC1	ZINC001164908780	721568539	/nfs/dbraw/zinc/56/85/39/721568539.db2.gz	SCMQLBBFKHLMFG-UHFFFAOYSA-N	2	0	455.606	4.390	20	10		JICDRP