smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(c2ccc(CNC(=O)C3CCN(c4nccnc4Oc4ccccc4)CC3)cc2)CC1	ZINC000033142001	523926722	/nfs/dbraw/zinc/92/67/22/523926722.db2.gz	PCXYXCZIHYPLJJ-UHFFFAOYSA-N	1	0	486.620	3.554	10	10		JHCERO
COc1ccc(CCN2C(=O)N(C)C(=O)C23CC[NH+](Cc2ccc(N4CCCC4)cc2)CC3)cc1	ZINC000014742890	523945013	/nfs/dbraw/zinc/94/50/13/523945013.db2.gz	ZWJVEPJCVRGWMN-UHFFFAOYSA-N	1	0	476.621	3.767	10	10		JHCERO
COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1ccc3c(c1)CCCN3C)CC2	ZINC000014741445	523801471	/nfs/dbraw/zinc/80/14/71/523801471.db2.gz	GSAOQGKSQFUWDN-UHFFFAOYSA-N	1	0	490.648	3.557	10	10		JHCERO
Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)C2)s1	ZINC000033174054	525620898	/nfs/dbraw/zinc/62/08/98/525620898.db2.gz	YRKJYGAPUDXUNB-OAQYLSRUSA-N	1	0	463.651	3.889	10	10		JHCERO
COc1cccc(CN2C(=O)N[C@@](C)(C3CC[NH+](Cc4cc(Cl)ccc4O)CC3)C2=O)c1OC	ZINC000012004348	562958472	/nfs/dbraw/zinc/95/84/72/562958472.db2.gz	UXRVFSQKTZHMKP-VWLOTQADSA-N	1	0	487.984	3.786	10	10		JHCERO
CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](C/C=C/c1ccc(N(C)C)cc1)CC2	ZINC000014741878	521525099	/nfs/dbraw/zinc/52/50/99/521525099.db2.gz	FFMXVJFFXGHRBS-RMKNXTFCSA-N	1	0	475.637	3.912	10	10		JHCERO
Cn1c(CCNC(=O)[C@@H]2CC23CC[NH+](Cc2ccc4c(c2)CCCN4C)CC3)nc2ccccc21	ZINC000012246384	527048521	/nfs/dbraw/zinc/04/85/21/527048521.db2.gz	AHOQDUMRYMJGHE-QHCPKHFHSA-N	1	0	471.649	3.917	10	10		JHCERO
CCN(CC)c1ccc(C[N@H+]2CCc3c(C(=O)NCc4ccsc4)c(OC)cc(=O)n3CC2)cc1	ZINC000019739674	556363661	/nfs/dbraw/zinc/36/36/61/556363661.db2.gz	GVJAWKGNTGWUTI-UHFFFAOYSA-N	1	0	494.661	3.753	10	10		JHCERO
Cc1cc2c(ccnc2N2CCC[C@H](C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)C2)s1	ZINC000033174057	525621092	/nfs/dbraw/zinc/62/10/92/525621092.db2.gz	YRKJYGAPUDXUNB-NRFANRHFSA-N	1	0	463.651	3.889	10	10		JHCERO
COc1cccc(CN2C(=O)N[C@](C)(C3CC[NH+](Cc4cc(Cl)ccc4O)CC3)C2=O)c1OC	ZINC000012004354	562958402	/nfs/dbraw/zinc/95/84/02/562958402.db2.gz	UXRVFSQKTZHMKP-RUZDIDTESA-N	1	0	487.984	3.786	10	10		JHCERO
CCN(CC)c1ccc(CN2C[C@@H]([NH2+]Cc3ccc(OC)c(C)c3C)C[C@H]2C(=O)NCCOC)cc1	ZINC000020455281	520894237	/nfs/dbraw/zinc/89/42/37/520894237.db2.gz	YIKVWXXUVNFPQC-BDYUSTAISA-N	1	0	496.696	3.654	10	10		JHCERO
COCC(=O)N(C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1c1ccccc1OC)C(C)C	ZINC000034740900	522733270	/nfs/dbraw/zinc/73/32/70/522733270.db2.gz	IPVAVAPKCVDHPR-RDGATRHJSA-N	1	0	453.627	3.860	10	10		JHCERO
COc1cccc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2ccccc2)[C@@H]3O)c1O	ZINC000011995284	562958244	/nfs/dbraw/zinc/95/82/44/562958244.db2.gz	CUIKQVGSSOVZSK-RSXGOPAZSA-N	1	0	458.558	3.780	10	10		JHCERO
O=C([C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1cc(Cl)ccc1O)N1CCOCC1	ZINC000012028614	555886284	/nfs/dbraw/zinc/88/62/84/555886284.db2.gz	WYEURYJOJMCTGB-UXHICEINSA-N	1	0	450.963	3.779	10	10		JHCERO
Cn1c(CCNC(=O)[C@H]2CC23CC[NH+](Cc2ccc4c(c2)CCCN4C)CC3)nc2ccccc21	ZINC000012246383	527048906	/nfs/dbraw/zinc/04/89/06/527048906.db2.gz	AHOQDUMRYMJGHE-HSZRJFAPSA-N	1	0	471.649	3.917	10	10		JHCERO