smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2oc3ccccc3c2CN(C)C)C1	ZINC000161317041	206340561	/nfs/dbraw/zinc/34/05/61/206340561.db2.gz	ACYHDDMRBSFLKL-PBHICJAKSA-N	1	3	343.471	2.953	10	70		EFIEHO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2oc3ccccc3c2CN(C)C)C1	ZINC000161317041	206340565	/nfs/dbraw/zinc/34/05/65/206340565.db2.gz	ACYHDDMRBSFLKL-PBHICJAKSA-N	1	3	343.471	2.953	10	70		EFIEHO
c1ccc(CN2CCC(OCCC[NH2+][C@@H]3CCCOC3)CC2)cc1	ZINC000159741160	544798611	/nfs/dbraw/zinc/79/86/11/544798611.db2.gz	IHLOTQCOLALNCN-LJQANCHMSA-N	1	3	332.488	2.826	10	70		EFIEHO
CCCN1CCC([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)CC1	ZINC000161048347	473202127	/nfs/dbraw/zinc/20/21/27/473202127.db2.gz	QWQGOMLLSJPHGP-UHFFFAOYSA-N	1	3	339.483	2.861	10	70		EFIEHO
Cc1ccc2c(c1)[C@@H](NCCN1CCC([NH+](C)C)CC1)CCCO2	ZINC000160221340	301903906	/nfs/dbraw/zinc/90/39/06/301903906.db2.gz	UNXGIGCHEZBKLE-IBGZPJMESA-N	1	3	331.504	2.824	10	70		EFIEHO
CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(CN3CCCC3)c2)[C@@H](C)C1	ZINC000161168590	473214494	/nfs/dbraw/zinc/21/44/94/473214494.db2.gz	JFCVLGGPFUKMLK-LPHOPBHVSA-N	1	3	329.488	2.741	10	70		EFIEHO
CC(C)[N@@H+]1C[C@H](NC(=O)c2cccc(CN3CCCC3)c2)[C@@H](C)C1	ZINC000161168590	473214497	/nfs/dbraw/zinc/21/44/97/473214497.db2.gz	JFCVLGGPFUKMLK-LPHOPBHVSA-N	1	3	329.488	2.741	10	70		EFIEHO
CC(C)C[C@H](CN(C)C)NC(=O)N1CCC(CCC[NH+](C)C)CC1	ZINC000160472089	473129512	/nfs/dbraw/zinc/12/95/12/473129512.db2.gz	MXZFBMZZJYERAL-GOSISDBHSA-N	1	3	340.556	2.726	10	70		EFIEHO
c1ccn2c(c1)nnc2C1CC[NH+](CCCN2CCCCC2)CC1	ZINC000161356219	473229111	/nfs/dbraw/zinc/22/91/11/473229111.db2.gz	LZYQAEKNMNMCPL-UHFFFAOYSA-N	1	3	327.476	2.785	10	70		EFIEHO
c1ccc(CN2CCC(OCCC[NH2+][C@H]3CCCOC3)CC2)cc1	ZINC000159741304	544798717	/nfs/dbraw/zinc/79/87/17/544798717.db2.gz	IHLOTQCOLALNCN-IBGZPJMESA-N	1	3	332.488	2.826	10	70		EFIEHO
CCN1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1	ZINC000159557679	529027750	/nfs/dbraw/zinc/02/77/50/529027750.db2.gz	YJMQIJRGPIOCDU-UHFFFAOYSA-N	1	3	344.503	2.520	10	70		EFIEHO
Cc1ccc(C(=O)CC[N@@H+](C)CC2CCN(C[C@@H](C)O)CC2)cc1	ZINC000159371474	225206147	/nfs/dbraw/zinc/20/61/47/225206147.db2.gz	IZEVMNYJAQLLRZ-QGZVFWFLSA-N	1	3	332.488	2.592	10	70		EFIEHO
Cc1ccc(C(=O)CC[N@H+](C)CC2CCN(C[C@@H](C)O)CC2)cc1	ZINC000159371474	225206150	/nfs/dbraw/zinc/20/61/50/225206150.db2.gz	IZEVMNYJAQLLRZ-QGZVFWFLSA-N	1	3	332.488	2.592	10	70		EFIEHO
CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC(CCC[NH+](C)C)CC1	ZINC000160471992	310699306	/nfs/dbraw/zinc/69/93/06/310699306.db2.gz	MXZFBMZZJYERAL-SFHVURJKSA-N	1	3	340.556	2.726	10	70		EFIEHO
Cc1ccc2c(c1)[C@H](NCCN1CCC([NH+](C)C)CC1)CCCO2	ZINC000160221205	301909614	/nfs/dbraw/zinc/90/96/14/301909614.db2.gz	UNXGIGCHEZBKLE-LJQANCHMSA-N	1	3	331.504	2.824	10	70		EFIEHO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)C1	ZINC000161168464	206332844	/nfs/dbraw/zinc/33/28/44/206332844.db2.gz	JFCVLGGPFUKMLK-APWZRJJASA-N	1	3	329.488	2.741	10	70		EFIEHO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)C1	ZINC000161168464	206332848	/nfs/dbraw/zinc/33/28/48/206332848.db2.gz	JFCVLGGPFUKMLK-APWZRJJASA-N	1	3	329.488	2.741	10	70		EFIEHO
Cc1ccc(C(=O)CC[N@@H+](C)CC2CCN(C[C@H](C)O)CC2)cc1	ZINC000159371600	225205347	/nfs/dbraw/zinc/20/53/47/225205347.db2.gz	IZEVMNYJAQLLRZ-KRWDZBQOSA-N	1	3	332.488	2.592	10	70		EFIEHO
Cc1ccc(C(=O)CC[N@H+](C)CC2CCN(C[C@H](C)O)CC2)cc1	ZINC000159371600	225205353	/nfs/dbraw/zinc/20/53/53/225205353.db2.gz	IZEVMNYJAQLLRZ-KRWDZBQOSA-N	1	3	332.488	2.592	10	70		EFIEHO
CC(C)[N@H+]1C[C@H](NC(=O)c2oc3ccccc3c2CN(C)C)[C@@H](C)C1	ZINC000161317165	473225773	/nfs/dbraw/zinc/22/57/73/473225773.db2.gz	ACYHDDMRBSFLKL-YOEHRIQHSA-N	1	3	343.471	2.953	10	70		EFIEHO
CC(C)[N@@H+]1C[C@H](NC(=O)c2oc3ccccc3c2CN(C)C)[C@@H](C)C1	ZINC000161317165	473225779	/nfs/dbraw/zinc/22/57/79/473225779.db2.gz	ACYHDDMRBSFLKL-YOEHRIQHSA-N	1	3	343.471	2.953	10	70		EFIEHO
O=C(C1CC[NH+](CCCN2CCCCC2)CC1)N1CCCCCC1	ZINC000160433403	473124697	/nfs/dbraw/zinc/12/46/97/473124697.db2.gz	ORMHDHNKLSLRPW-UHFFFAOYSA-N	1	3	335.536	2.977	10	70		EFIEHO
CC1(C)CC([NH2+]C2CCN(Cc3cccnc3)CC2)CC(C)(C)N1	ZINC000159638930	473047462	/nfs/dbraw/zinc/04/74/62/473047462.db2.gz	IPJBTSVFQWDAQK-UHFFFAOYSA-N	1	3	330.520	2.945	10	70		EFIEHO