smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O[C@@]1(c2cn[nH]n2)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1	ZINC000794014789	578568794	/nfs/dbraw/zinc/56/87/94/578568794.db2.gz	HKYKANPFABXSNX-KRWDZBQOSA-N	1	0	329.404	0.735	10	10		ECCERO
C[C@@H](O)C[N@@H+]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C	ZINC000105822619	545735978	/nfs/dbraw/zinc/73/59/78/545735978.db2.gz	IJQVDNASKIVKKR-HZPDHXFCSA-N	1	0	348.491	0.756	10	10		ECCERO
C[C@@H](O)C[N@@H+]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C	ZINC000105822622	545735114	/nfs/dbraw/zinc/73/51/14/545735114.db2.gz	IJQVDNASKIVKKR-JKSUJKDBSA-N	1	0	348.491	0.756	10	10		ECCERO
COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCCC3=O)CC2)cc1	ZINC000171883046	609765830	/nfs/dbraw/zinc/76/58/30/609765830.db2.gz	FHBOZBJCUXUGGO-MRXNPFEDSA-N	1	0	333.432	0.801	10	10		ECCERO
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](OC)C[NH2+]3)CC2)cc1F	ZINC000583618160	439489081	/nfs/dbraw/zinc/48/90/81/439489081.db2.gz	HAWINPJXTIEDIW-ZFWWWQNUSA-N	1	0	337.395	0.860	10	10		ECCERO
CN(C)c1ccc(CNC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)cc1	ZINC000155364524	436794506	/nfs/dbraw/zinc/79/45/06/436794506.db2.gz	CZVCFBQVVGPGAW-KRWDZBQOSA-N	1	0	334.464	0.631	10	10		ECCERO
CN(C)c1ccc(CN(C)C(=O)CN2CCO[C@H](C[NH+](C)C)C2)cc1	ZINC000105923936	436586488	/nfs/dbraw/zinc/58/64/88/436586488.db2.gz	FIXJTLOWVDEGFS-GOSISDBHSA-N	1	0	348.491	0.973	10	10		ECCERO
CN(C)c1ccc(CNC(=O)CN2CC[C@@H](N3CCOCC3)C2)cc1	ZINC000173984780	437070185	/nfs/dbraw/zinc/07/01/85/437070185.db2.gz	JLLUGFHTXVFRRV-GOSISDBHSA-N	1	0	346.475	0.775	10	10		ECCERO
CCOC(=O)c1cnn2c1[nH]c(CN1CC[N@@H+]3CCC[C@H]3C1)cc2=O	ZINC000246220152	436775709	/nfs/dbraw/zinc/77/57/09/436775709.db2.gz	BGTWHIWDIBYAJU-ZDUSSCGKSA-N	1	0	345.403	0.892	10	10		ECCERO
CC[C@@H](O)C[NH+]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1	ZINC000118858021	254493985	/nfs/dbraw/zinc/49/39/85/254493985.db2.gz	QIMUQUPOFPVMCG-GOSISDBHSA-N	1	0	348.491	0.757	10	10		ECCERO
COc1ccc(N2CCN([C@H](C)C(=O)NCC[NH+](C)C)CC2)cc1	ZINC000034684268	132388444	/nfs/dbraw/zinc/38/84/44/132388444.db2.gz	YVLSFIAVBMZPTM-OAHLLOKOSA-N	1	0	334.464	0.884	10	10		ECCERO
COc1ccc(N2CCN([C@@H](C)C(=O)NCC[NH+](C)C)CC2)cc1	ZINC000034684267	536700733	/nfs/dbraw/zinc/70/07/33/536700733.db2.gz	YVLSFIAVBMZPTM-HNNXBMFYSA-N	1	0	334.464	0.884	10	10		ECCERO
CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CNC(=O)C3)cc2F)CC1	ZINC000106702620	589238306	/nfs/dbraw/zinc/23/83/06/589238306.db2.gz	GPTKIBCTMFYYDS-CQSZACIVSA-N	1	0	348.422	0.720	10	10		ECCERO
CN(C)c1ccc(CNC(=O)CN2CCO[C@H](C[NH+](C)C)C2)cc1	ZINC000155364417	282127324	/nfs/dbraw/zinc/12/73/24/282127324.db2.gz	CZVCFBQVVGPGAW-QGZVFWFLSA-N	1	0	334.464	0.631	10	10		ECCERO
O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2O)[C@@H]1O)c1ccncc1	ZINC000077265265	202392186	/nfs/dbraw/zinc/39/21/86/202392186.db2.gz	RSKNKUHCBWILOX-OIISXLGYSA-N	1	0	343.383	0.435	10	10		ECCERO
CN(C)c1ccc(CNC(=O)CN2CC[C@H](N3CCOCC3)C2)cc1	ZINC000173984758	437072105	/nfs/dbraw/zinc/07/21/05/437072105.db2.gz	JLLUGFHTXVFRRV-SFHVURJKSA-N	1	0	346.475	0.775	10	10		ECCERO
CC(C)N1CCc2cc(CN3CCN4C(=O)CNC(=O)[C@H]4C3)ccc21	ZINC000106266560	436590483	/nfs/dbraw/zinc/59/04/83/436590483.db2.gz	QHRBZFHIZPQKMS-QGZVFWFLSA-N	1	0	342.443	0.600	10	10		ECCERO
CCOC(=O)c1cnn2c1[nH]c(CN1CC[N@@H+]3CCC[C@@H]3C1)cc2=O	ZINC000178627892	437219730	/nfs/dbraw/zinc/21/97/30/437219730.db2.gz	BGTWHIWDIBYAJU-CYBMUJFWSA-N	1	0	345.403	0.892	10	10		ECCERO
O[C@]1(c2cn[nH]n2)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1	ZINC000794014790	578568835	/nfs/dbraw/zinc/56/88/35/578568835.db2.gz	HKYKANPFABXSNX-QGZVFWFLSA-N	1	0	329.404	0.735	10	10		ECCERO
CC[C@H](O)C[NH+]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1	ZINC000118858020	436663508	/nfs/dbraw/zinc/66/35/08/436663508.db2.gz	QIMUQUPOFPVMCG-SFHVURJKSA-N	1	0	348.491	0.757	10	10		ECCERO
CN(C)c1ccc(CN(C)C(=O)CN2CCO[C@@H](C[NH+](C)C)C2)cc1	ZINC000105923939	436585871	/nfs/dbraw/zinc/58/58/71/436585871.db2.gz	FIXJTLOWVDEGFS-SFHVURJKSA-N	1	0	348.491	0.973	10	10		ECCERO
COc1ccc(N2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)cc1	ZINC000171883045	609765540	/nfs/dbraw/zinc/76/55/40/609765540.db2.gz	FHBOZBJCUXUGGO-INIZCTEOSA-N	1	0	333.432	0.801	10	10		ECCERO
CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CNC(=O)C3)cc2F)CC1	ZINC000106702623	589238192	/nfs/dbraw/zinc/23/81/92/589238192.db2.gz	GPTKIBCTMFYYDS-AWEZNQCLSA-N	1	0	348.422	0.720	10	10		ECCERO
CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)cc1	ZINC000178657174	608847390	/nfs/dbraw/zinc/84/73/90/608847390.db2.gz	WLWNCPSDLBQNGY-OAHLLOKOSA-N	1	0	341.477	0.911	10	10		ECCERO