smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1	ZINC000180138943	522594298	/nfs/dbraw/zinc/59/42/98/522594298.db2.gz	COQIOFSJJSPONV-CQSZACIVSA-N	2	2	319.836	3.642	10	10		DHCELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1	ZINC000180138943	522594311	/nfs/dbraw/zinc/59/43/11/522594311.db2.gz	COQIOFSJJSPONV-CQSZACIVSA-N	2	2	319.836	3.642	10	10		DHCELP
CCN(CC)c1ccc([C@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1	ZINC000022854172	182337409	/nfs/dbraw/zinc/33/74/09/182337409.db2.gz	JHOILSZQQXYGKZ-FCEWJHQRSA-N	2	2	303.494	3.511	10	10		DHCELP
CCN(CC)c1ccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1	ZINC000022854172	182337411	/nfs/dbraw/zinc/33/74/11/182337411.db2.gz	JHOILSZQQXYGKZ-FCEWJHQRSA-N	2	2	303.494	3.511	10	10		DHCELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C)c1O	ZINC000180615174	527442257	/nfs/dbraw/zinc/44/22/57/527442257.db2.gz	IPGFLNCXVDXSME-INIZCTEOSA-N	2	2	319.836	3.524	10	10		DHCELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(C)c1O	ZINC000180615174	527442265	/nfs/dbraw/zinc/44/22/65/527442265.db2.gz	IPGFLNCXVDXSME-INIZCTEOSA-N	2	2	319.836	3.524	10	10		DHCELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C)c1O	ZINC000180615154	527450492	/nfs/dbraw/zinc/45/04/92/527450492.db2.gz	IPGFLNCXVDXSME-MRXNPFEDSA-N	2	2	319.836	3.524	10	10		DHCELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(C)c1O	ZINC000180615154	527450496	/nfs/dbraw/zinc/45/04/96/527450496.db2.gz	IPGFLNCXVDXSME-MRXNPFEDSA-N	2	2	319.836	3.524	10	10		DHCELP
c1cn(C[C@H]2CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)c[nH+]1	ZINC000188415092	337273270	/nfs/dbraw/zinc/27/32/70/337273270.db2.gz	ZGAZHORHHZGHQF-HXUWFJFHSA-N	2	2	324.472	3.538	10	10		DHCELP
c1cn(C[C@H]2CCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)c[nH+]1	ZINC000188415092	337273271	/nfs/dbraw/zinc/27/32/71/337273271.db2.gz	ZGAZHORHHZGHQF-HXUWFJFHSA-N	2	2	324.472	3.538	10	10		DHCELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1	ZINC000180138957	522598342	/nfs/dbraw/zinc/59/83/42/522598342.db2.gz	COQIOFSJJSPONV-AWEZNQCLSA-N	2	2	319.836	3.642	10	10		DHCELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1	ZINC000180138957	522598349	/nfs/dbraw/zinc/59/83/49/522598349.db2.gz	COQIOFSJJSPONV-AWEZNQCLSA-N	2	2	319.836	3.642	10	10		DHCELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1	ZINC000122884816	337027893	/nfs/dbraw/zinc/02/78/93/337027893.db2.gz	LTMIZBFTTUOCRT-OAHLLOKOSA-N	2	2	319.836	3.642	10	10		DHCELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1	ZINC000122884816	337027894	/nfs/dbraw/zinc/02/78/94/337027894.db2.gz	LTMIZBFTTUOCRT-OAHLLOKOSA-N	2	2	319.836	3.642	10	10		DHCELP
C[n+]1c(/C=C2\C=C[C@H]3C=CC=C[C@@H]3[N@H+]2C)ccc2ccccc21	ZINC000004276968	181091218	/nfs/dbraw/zinc/09/12/18/181091218.db2.gz	QGCJGCLODWUMIL-UZLBHIALSA-N	2	2	301.413	3.618	10	10		DHCELP
C[n+]1c(/C=C2\C=C[C@H]3C=CC=C[C@@H]3[N@@H+]2C)ccc2ccccc21	ZINC000004276968	181091219	/nfs/dbraw/zinc/09/12/19/181091219.db2.gz	QGCJGCLODWUMIL-UZLBHIALSA-N	2	2	301.413	3.618	10	10		DHCELP
CCN(CC)c1ccc([C@@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)cc1	ZINC000022854163	182337654	/nfs/dbraw/zinc/33/76/54/182337654.db2.gz	UEAAQKRWMKPMRR-JTDSTZFVSA-N	2	2	303.494	3.796	10	10		DHCELP
CCN(CC)c1ccc([C@@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1	ZINC000022854163	182337656	/nfs/dbraw/zinc/33/76/56/182337656.db2.gz	UEAAQKRWMKPMRR-JTDSTZFVSA-N	2	2	303.494	3.796	10	10		DHCELP
CCN(CC)c1ccc([C@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)cc1	ZINC000022854166	182337445	/nfs/dbraw/zinc/33/74/45/182337445.db2.gz	UEAAQKRWMKPMRR-FCEWJHQRSA-N	2	2	303.494	3.796	10	10		DHCELP
CCN(CC)c1ccc([C@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1	ZINC000022854166	182337447	/nfs/dbraw/zinc/33/74/47/182337447.db2.gz	UEAAQKRWMKPMRR-FCEWJHQRSA-N	2	2	303.494	3.796	10	10		DHCELP
CCN(CC)c1ccc([C@@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1	ZINC000022854169	182337934	/nfs/dbraw/zinc/33/79/34/182337934.db2.gz	JHOILSZQQXYGKZ-JTDSTZFVSA-N	2	2	303.494	3.511	10	10		DHCELP
CCN(CC)c1ccc([C@@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1	ZINC000022854169	182337936	/nfs/dbraw/zinc/33/79/36/182337936.db2.gz	JHOILSZQQXYGKZ-JTDSTZFVSA-N	2	2	303.494	3.511	10	10		DHCELP
c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)c[nH+]1	ZINC000188415115	337273250	/nfs/dbraw/zinc/27/32/50/337273250.db2.gz	ZGAZHORHHZGHQF-FQEVSTJZSA-N	2	2	324.472	3.538	10	10		DHCELP
c1cn(C[C@@H]2CCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)c[nH+]1	ZINC000188415115	337273251	/nfs/dbraw/zinc/27/32/51/337273251.db2.gz	ZGAZHORHHZGHQF-FQEVSTJZSA-N	2	2	324.472	3.538	10	10		DHCELP
C[n+]1c(/C=C2\C=C[C@H]3C=CC=C[C@H]3[N@H+]2C)ccc2ccccc21	ZINC000004276970	181091232	/nfs/dbraw/zinc/09/12/32/181091232.db2.gz	QGCJGCLODWUMIL-OXQOHEQNSA-N	2	2	301.413	3.618	10	10		DHCELP
C[n+]1c(/C=C2\C=C[C@H]3C=CC=C[C@H]3[N@@H+]2C)ccc2ccccc21	ZINC000004276970	181091233	/nfs/dbraw/zinc/09/12/33/181091233.db2.gz	QGCJGCLODWUMIL-OXQOHEQNSA-N	2	2	301.413	3.618	10	10		DHCELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1	ZINC000122885062	337027812	/nfs/dbraw/zinc/02/78/12/337027812.db2.gz	LTMIZBFTTUOCRT-HNNXBMFYSA-N	2	2	319.836	3.642	10	10		DHCELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1	ZINC000122885062	337027813	/nfs/dbraw/zinc/02/78/13/337027813.db2.gz	LTMIZBFTTUOCRT-HNNXBMFYSA-N	2	2	319.836	3.642	10	10		DHCELP