smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000005131883	181322575	/nfs/dbraw/zinc/32/25/75/181322575.db2.gz	KSNSQOVBNYYHLW-TXICZTDVSA-N	1	2	234.212	-3.592	10	30		BAEELO
NC(=[NH2+])NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000005438040	346221483	/nfs/dbraw/zinc/22/14/83/346221483.db2.gz	KSNSQOVBNYYHLW-SQOUGZDYSA-N	1	2	234.212	-3.592	10	30		BAEELO
N/C(CC(=O)NCC[NH+]1CCOCC1)=N\O	ZINC000022146306	181182498	/nfs/dbraw/zinc/18/24/98/181182498.db2.gz	LQIPYAJIALGXLJ-UHFFFAOYSA-N	1	2	230.268	-1.429	10	30		BAEELO
NC(=[NH2+])NCCC[C@H]([NH3+])[P@@](=O)([O-])O	ZINC000025964403	181322698	/nfs/dbraw/zinc/32/26/98/181322698.db2.gz	MMEPWCMDQUSOLC-SCSAIBSYSA-N	1	2	210.174	-1.498	10	30	in-vitro	BAEELO
NC(=[NH2+])NCCC[C@@H]([NH3+])[P@@](=O)([O-])O	ZINC000025964409	181323018	/nfs/dbraw/zinc/32/30/18/181323018.db2.gz	MMEPWCMDQUSOLC-BYPYZUCNSA-N	1	2	210.174	-1.498	10	30		BAEELO
NS(=O)(=O)c1nnc(NC(=O)C[NH3+])s1	ZINC000027199204	181323912	/nfs/dbraw/zinc/32/39/12/181323912.db2.gz	XGWOUJYLRFBCTB-UHFFFAOYSA-N	1	2	237.266	-1.268	10	30		BAEELO
N#C[C@@H]([NH3+])CCN1CCS(=O)(=O)CC1	ZINC000062435090	181055294	/nfs/dbraw/zinc/05/52/94/181055294.db2.gz	DKGHDNOWYMLRSF-QMMMGPOBSA-N	1	2	217.294	-1.042	10	30		BAEELO
N#C[C@H]([NH3+])CCN1CCS(=O)(=O)CC1	ZINC000062435094	181064622	/nfs/dbraw/zinc/06/46/22/181064622.db2.gz	DKGHDNOWYMLRSF-MRVPVSSYSA-N	1	2	217.294	-1.042	10	30		BAEELO
NC(=[NH2+])NC(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	ZINC000077312911	181323030	/nfs/dbraw/zinc/32/30/30/181323030.db2.gz	KSNSQOVBNYYHLW-KKQCNMDGSA-N	1	2	234.212	-3.592	10	30	in-vitro	BAEELO
NC(=O)C1C(N)=[NH+]C(Cc2c[nH]c[nH+]2)=C1[O-]	ZINC000100642675	181215310	/nfs/dbraw/zinc/21/53/10/181215310.db2.gz	RPKOHRPUHSXWOE-RXMQYKEDSA-N	1	2	221.220	-1.851	10	30		BAEELO
NC(=O)C1C(N)=[NH+]C(Cc2c[nH]c[nH+]2)=C1[O-]	ZINC000100642676	181214821	/nfs/dbraw/zinc/21/48/21/181214821.db2.gz	RPKOHRPUHSXWOE-YFKPBYRVSA-N	1	2	221.220	-1.851	10	30		BAEELO
C#CC[NH+]1CCN(C(=O)[C@H]2CNC(=O)C2)CC1	ZINC000110433378	588665974	/nfs/dbraw/zinc/66/59/74/588665974.db2.gz	LPWRUYNLSVGNJP-SNVBAGLBSA-N	1	2	235.287	-1.100	10	30		BAEELO
C#CC[NH+]1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1	ZINC000110433384	588666176	/nfs/dbraw/zinc/66/61/76/588666176.db2.gz	LPWRUYNLSVGNJP-JTQLQIEISA-N	1	2	235.287	-1.100	10	30		BAEELO
C#CC[NH+]1CCN(C(=O)[C@@H](C)NC(N)=O)CC1	ZINC000112921185	588820797	/nfs/dbraw/zinc/82/07/97/588820797.db2.gz	CUEZMHGKZBUZSF-SECBINFHSA-N	1	2	238.291	-1.179	10	30		BAEELO
CNC(=O)[C@@H]1COCCN1/C(N)=[NH+]/O	ZINC000131335921	371591463	/nfs/dbraw/zinc/59/14/63/371591463.db2.gz	YMBXLOOJTHOBQD-YFKPBYRVSA-N	1	2	202.214	-1.863	10	30		BAEELO
CNC(=O)[C@H]1COCCN1/C(N)=[NH+]/O	ZINC000131336108	371592949	/nfs/dbraw/zinc/59/29/49/371592949.db2.gz	YMBXLOOJTHOBQD-RXMQYKEDSA-N	1	2	202.214	-1.863	10	30		BAEELO
CNS(=O)(=O)N1CC[NH2+]C[C@@H]1C#N	ZINC000160918026	359022002	/nfs/dbraw/zinc/02/20/02/359022002.db2.gz	AQRMZIBXJPXBSK-LURJTMIESA-N	1	2	204.255	-1.752	10	30		BAEELO
CNS(=O)(=O)N1CC[NH2+]C[C@H]1C#N	ZINC000160918176	359022013	/nfs/dbraw/zinc/02/20/13/359022013.db2.gz	AQRMZIBXJPXBSK-ZCFIWIBFSA-N	1	2	204.255	-1.752	10	30		BAEELO
N/C(C[C@H]1CCN(S(N)(=O)=O)C1)=[NH+]\O	ZINC000307543447	352645040	/nfs/dbraw/zinc/64/50/40/352645040.db2.gz	RPNPFMMQAUTEJC-RXMQYKEDSA-N	1	2	222.270	-1.352	10	30		BAEELO
N/C(C[C@@H]1CCN(S(N)(=O)=O)C1)=[NH+]\O	ZINC000307543451	352645084	/nfs/dbraw/zinc/64/50/84/352645084.db2.gz	RPNPFMMQAUTEJC-YFKPBYRVSA-N	1	2	222.270	-1.352	10	30		BAEELO
C#CCNC(=O)C[N@H+](C)C[C@H]1CN(C)CCO1	ZINC000707861243	712180429	/nfs/dbraw/zinc/18/04/29/712180429.db2.gz	QWGSUKAUCFHQCP-LLVKDONJSA-N	1	2	239.319	-1.002	10	30		BAEELO
C#CCNC(=O)C[N@@H+](C)C[C@H]1CN(C)CCO1	ZINC000707861243	712180428	/nfs/dbraw/zinc/18/04/28/712180428.db2.gz	QWGSUKAUCFHQCP-LLVKDONJSA-N	1	2	239.319	-1.002	10	30		BAEELO
C#CCNC(=O)C[N@H+](C)C[C@@H]1CN(C)CCO1	ZINC000707861251	712180202	/nfs/dbraw/zinc/18/02/02/712180202.db2.gz	QWGSUKAUCFHQCP-NSHDSACASA-N	1	2	239.319	-1.002	10	30		BAEELO
C#CCNC(=O)C[N@@H+](C)C[C@@H]1CN(C)CCO1	ZINC000707861251	712180201	/nfs/dbraw/zinc/18/02/01/712180201.db2.gz	QWGSUKAUCFHQCP-NSHDSACASA-N	1	2	239.319	-1.002	10	30		BAEELO