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+]1CCC(NC(=O)CN2CCN(c3ccncc3)CC2)CC1	ZINC000161370396	545852371	/nfs/dbraw/zinc/85/23/71/545852371.db2.gz	XHLKDLJXHHZUEW-UHFFFAOYSA-N	1	3	331.464	0.804	20	70		ECIDHO
C[C@@H](NCCO)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000159721186	533398357	/nfs/dbraw/zinc/39/83/57/533398357.db2.gz	ZWYQUBVXJKNPBN-CYBMUJFWSA-N	1	3	329.466	0.560	20	70		ECIDHO
CN(C)CC[NH+]1CCC(CNC(=O)CN(C)[C@@H]2CCSC2)CC1	ZINC000160426550	436871538	/nfs/dbraw/zinc/87/15/38/436871538.db2.gz	UBKBWEGRUAYPBR-MRXNPFEDSA-N	1	3	342.553	0.814	20	70		ECIDHO
CN(CC(=O)NCC1CCN(CC[NH+](C)C)CC1)[C@@H]1CCSC1	ZINC000160426550	436871542	/nfs/dbraw/zinc/87/15/42/436871542.db2.gz	UBKBWEGRUAYPBR-MRXNPFEDSA-N	1	3	342.553	0.814	20	70		ECIDHO
C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1	ZINC000160986452	436881207	/nfs/dbraw/zinc/88/12/07/436881207.db2.gz	WKZBOYQIEDBHAB-DVOMOZLQSA-N	1	3	332.448	0.720	20	70		ECIDHO
CC[N@@H+]1CCCN(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)CC1	ZINC000159584978	436860530	/nfs/dbraw/zinc/86/05/30/436860530.db2.gz	WMFOEVDXYVYSKO-QGZVFWFLSA-N	1	3	339.528	0.996	20	70		ECIDHO
CC[N@H+]1CCCN(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)CC1	ZINC000159584978	436860533	/nfs/dbraw/zinc/86/05/33/436860533.db2.gz	WMFOEVDXYVYSKO-QGZVFWFLSA-N	1	3	339.528	0.996	20	70		ECIDHO
CN(C)CC[NH+]1CCC(CNC(=O)CN(C)[C@H]2CCSC2)CC1	ZINC000160426686	436873789	/nfs/dbraw/zinc/87/37/89/436873789.db2.gz	UBKBWEGRUAYPBR-INIZCTEOSA-N	1	3	342.553	0.814	20	70		ECIDHO
CN(CC(=O)NCC1CCN(CC[NH+](C)C)CC1)[C@H]1CCSC1	ZINC000160426686	436873792	/nfs/dbraw/zinc/87/37/92/436873792.db2.gz	UBKBWEGRUAYPBR-INIZCTEOSA-N	1	3	342.553	0.814	20	70		ECIDHO
C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1	ZINC000160986107	436881641	/nfs/dbraw/zinc/88/16/41/436881641.db2.gz	WKZBOYQIEDBHAB-IOASZLSFSA-N	1	3	332.448	0.720	20	70		ECIDHO
C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1	ZINC000160986230	436881439	/nfs/dbraw/zinc/88/14/39/436881439.db2.gz	WKZBOYQIEDBHAB-WWGRRREGSA-N	1	3	332.448	0.720	20	70		ECIDHO
C[C@H](NCCO)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000159721097	533859189	/nfs/dbraw/zinc/85/91/89/533859189.db2.gz	ZWYQUBVXJKNPBN-ZDUSSCGKSA-N	1	3	329.466	0.560	20	70		ECIDHO
CCN1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)[C@H](C)C1	ZINC000160974939	436882261	/nfs/dbraw/zinc/88/22/61/436882261.db2.gz	NJAXCSVTOCWUOY-CJNGLKHVSA-N	1	3	332.448	0.722	20	70		ECIDHO
CCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)[C@H](C)C1	ZINC000160975077	436882313	/nfs/dbraw/zinc/88/23/13/436882313.db2.gz	NJAXCSVTOCWUOY-CZUORRHYSA-N	1	3	332.448	0.722	20	70		ECIDHO
CCN1CCCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1	ZINC000159884563	436864737	/nfs/dbraw/zinc/86/47/37/436864737.db2.gz	QBBGUBROXRAEKQ-HNNXBMFYSA-N	1	3	339.484	0.311	20	70		ECIDHO
CCN1CCCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1	ZINC000159884563	436864741	/nfs/dbraw/zinc/86/47/41/436864741.db2.gz	QBBGUBROXRAEKQ-HNNXBMFYSA-N	1	3	339.484	0.311	20	70		ECIDHO
CC[N@@H+]1CCCN(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)CC1	ZINC000159584853	436860503	/nfs/dbraw/zinc/86/05/03/436860503.db2.gz	WMFOEVDXYVYSKO-KRWDZBQOSA-N	1	3	339.528	0.996	20	70		ECIDHO
CC[N@H+]1CCCN(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)CC1	ZINC000159584853	436860508	/nfs/dbraw/zinc/86/05/08/436860508.db2.gz	WMFOEVDXYVYSKO-KRWDZBQOSA-N	1	3	339.528	0.996	20	70		ECIDHO
C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1	ZINC000160986355	436881019	/nfs/dbraw/zinc/88/10/19/436881019.db2.gz	WKZBOYQIEDBHAB-XJKCOSOUSA-N	1	3	332.448	0.720	20	70		ECIDHO