smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc([C@@]2(CC(=O)N3CCN(C4CCCC4)CC3)CC(=O)N(CC[NH+](C)C)C2=O)c1	ZINC000299763509	570174907	/nfs/dbraw/zinc/17/49/07/570174907.db2.gz	OBWNRFISPLCUIC-AREMUKBSSA-N	1	3	470.614	1.730	50	0		JDAAHO
C[NH+](C)CCN1C(=O)C[C@@](CC(=O)N2CCN(C3CCCC3)CC2)(c2ccccc2F)C1=O	ZINC000015006276	555850913	/nfs/dbraw/zinc/85/09/13/555850913.db2.gz	XRFFCQUMNBWNTI-VWLOTQADSA-N	1	3	458.578	1.861	50	0		JDAAHO
COc1cc(C[NH2+]CC(C)(C)N2CCOCC2)ccc1OC[C@@H](O)CN1CCC(O)CC1	ZINC000023373334	556049850	/nfs/dbraw/zinc/04/98/50/556049850.db2.gz	JBQMZIFEERVVOF-NRFANRHFSA-N	1	3	451.608	1.092	50	0		JDAAHO
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)ccc12	ZINC000100656047	569766135	/nfs/dbraw/zinc/76/61/35/569766135.db2.gz	FHYIXLQAMONDNN-VDGAXYAQSA-N	1	3	487.601	1.532	50	0		JDAAHO
CN1CCN(CC[NH2+]Cc2cccn2-c2nnc(N3CCN(Cc4ccccc4)CC3)s2)CC1	ZINC000020576342	555831017	/nfs/dbraw/zinc/83/10/17/555831017.db2.gz	HEIUHGQCSPFZCU-UHFFFAOYSA-N	1	3	480.686	1.988	50	0		JDAAHO
C[NH+](C)CCN1C(=O)C[C@](CC(=O)N2CCN(C3CCCC3)CC2)(c2ccccc2F)C1=O	ZINC000015006278	555850872	/nfs/dbraw/zinc/85/08/72/555850872.db2.gz	XRFFCQUMNBWNTI-RUZDIDTESA-N	1	3	458.578	1.861	50	0		JDAAHO
COCC[NH+]1CCC(CN(C)C(=O)C[C@@]2(c3ccccc3F)CC(=O)N(CCN(C)C)C2=O)CC1	ZINC000299760683	570174549	/nfs/dbraw/zinc/17/45/49/570174549.db2.gz	QLNFDGMONWCSQC-SANMLTNESA-N	1	3	490.620	1.591	50	0		JDAAHO
CCn1c2c(C(=O)NCC3CCN(Cc4ccccc4F)CC3)cnn2c(=O)c2c1CC[NH2+]C2	ZINC000064966208	523251760	/nfs/dbraw/zinc/25/17/60/523251760.db2.gz	MRWUOMSPKFQIKL-UHFFFAOYSA-N	1	3	466.561	1.943	50	0		JDAAHO
COc1cccc([C@]2(CC(=O)N(C)CCC[NH+]3CCCCC3)CC(=O)N(CCN(C)C)C2=O)c1	ZINC000014882756	524193088	/nfs/dbraw/zinc/19/30/88/524193088.db2.gz	YKHSSVZIJOBVMB-SANMLTNESA-N	1	3	472.630	1.978	50	0		JDAAHO
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)N)ccc12	ZINC000004534038	526149491	/nfs/dbraw/zinc/14/94/91/526149491.db2.gz	FHYIXLQAMONDNN-LSTHTHJFSA-N	1	3	487.601	1.532	50	0		JDAAHO
CCN1CCN(c2ncnc3sc(C(=O)NCCCN4CC[NH+](CC)CC4)c(C)c32)CC1	ZINC000033048347	521681971	/nfs/dbraw/zinc/68/19/71/521681971.db2.gz	FPGMYCYQCGFXJT-UHFFFAOYSA-N	1	3	459.664	1.899	50	0		JDAAHO
COc1cccc([C@@]2(CC(=O)N(C)CCC[NH+]3CCCCC3)CC(=O)N(CCN(C)C)C2=O)c1	ZINC000014882755	524137623	/nfs/dbraw/zinc/13/76/23/524137623.db2.gz	YKHSSVZIJOBVMB-AREMUKBSSA-N	1	3	472.630	1.978	50	0		JDAAHO
COc1cc(C[NH2+]CC(C)(C)N2CCOCC2)ccc1OC[C@H](O)CN1CCC(O)CC1	ZINC000023373336	556049842	/nfs/dbraw/zinc/04/98/42/556049842.db2.gz	JBQMZIFEERVVOF-OAQYLSRUSA-N	1	3	451.608	1.092	50	0		JDAAHO
C[NH+](C)CCOc1cccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N3C2)c1	ZINC000014744740	521801249	/nfs/dbraw/zinc/80/12/49/521801249.db2.gz	XQFXXKZSFQOJRJ-OPXMRZJTSA-N	1	3	475.593	1.909	50	0		JDAAHO
CCn1c2c(C(=O)NCC3CC[NH+](CCc4ccc(OC)cc4)CC3)cnn2c(=O)c2c1CCNC2	ZINC000064966210	523252239	/nfs/dbraw/zinc/25/22/39/523252239.db2.gz	XNMHJHRRHRCYDT-UHFFFAOYSA-N	1	3	492.624	1.855	50	0		JDAAHO
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)N)ccc12	ZINC000100656050	569766139	/nfs/dbraw/zinc/76/61/39/569766139.db2.gz	FHYIXLQAMONDNN-FFZOFVMBSA-N	1	3	487.601	1.532	50	0		JDAAHO
COc1cccc([C@]2(CC(=O)N3CCN(C4CCCC4)CC3)CC(=O)N(CC[NH+](C)C)C2=O)c1	ZINC000299763512	570174919	/nfs/dbraw/zinc/17/49/19/570174919.db2.gz	OBWNRFISPLCUIC-SANMLTNESA-N	1	3	470.614	1.730	50	0		JDAAHO
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)N)ccc12	ZINC000004534040	526148311	/nfs/dbraw/zinc/14/83/11/526148311.db2.gz	FHYIXLQAMONDNN-UXPWSPDFSA-N	1	3	487.601	1.532	50	0		JDAAHO
COCC[NH+]1CCC(CN(C)C(=O)C[C@]2(c3ccccc3F)CC(=O)N(CCN(C)C)C2=O)CC1	ZINC000299760679	570174536	/nfs/dbraw/zinc/17/45/36/570174536.db2.gz	QLNFDGMONWCSQC-AREMUKBSSA-N	1	3	490.620	1.591	50	0		JDAAHO