smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccccc1Cl	ZINC000090665357	330394643	/nfs/dbraw/zinc/39/46/43/330394643.db2.gz	IWVQFWSYONCQEU-KSSFIOAISA-N	1	1	298.817	5.036	20	30		CKEDMO
C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccccc1Cl	ZINC000090665358	330394626	/nfs/dbraw/zinc/39/46/26/330394626.db2.gz	IWVQFWSYONCQEU-KDOFPFPSSA-N	1	1	298.817	5.036	20	30		CKEDMO
C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccccc1Cl	ZINC000090665359	330394571	/nfs/dbraw/zinc/39/45/71/330394571.db2.gz	IWVQFWSYONCQEU-KBXCAEBGSA-N	1	1	298.817	5.036	20	30		CKEDMO
C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccccc1Cl	ZINC000090665360	330394635	/nfs/dbraw/zinc/39/46/35/330394635.db2.gz	IWVQFWSYONCQEU-RDTXWAMCSA-N	1	1	298.817	5.036	20	30		CKEDMO
C[C@@H](c1ccc2ccccc2c1)[N@@H+](CCCCC#N)C1CC1	ZINC000110471265	328117539	/nfs/dbraw/zinc/11/75/39/328117539.db2.gz	PTRQFOFZUQUXGY-INIZCTEOSA-N	1	1	292.426	5.059	20	30		CKEDMO
C[C@H](c1ccc2ccccc2c1)[N@@H+](CCCCC#N)C1CC1	ZINC000110471267	328117666	/nfs/dbraw/zinc/11/76/66/328117666.db2.gz	PTRQFOFZUQUXGY-MRXNPFEDSA-N	1	1	292.426	5.059	20	30		CKEDMO
C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCCCC(C)(C)C#N	ZINC000235167885	333366382	/nfs/dbraw/zinc/36/63/82/333366382.db2.gz	URAHTORFDSSLBU-CQSZACIVSA-N	1	1	292.854	5.053	20	30		CKEDMO
C[C@H](c1ccccc1Cl)[N@@H+](C)CCCCC(C)(C)C#N	ZINC000235167974	333366493	/nfs/dbraw/zinc/36/64/93/333366493.db2.gz	UHUKGZIFTUXYIC-CQSZACIVSA-N	1	1	292.854	5.053	20	30		CKEDMO
C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCCCC(C)(C)C#N	ZINC000235467168	333370001	/nfs/dbraw/zinc/37/00/01/333370001.db2.gz	URAHTORFDSSLBU-AWEZNQCLSA-N	1	1	292.854	5.053	20	30		CKEDMO
C[C@@H](c1ccccc1Cl)[N@@H+](C)CCCCC(C)(C)C#N	ZINC000235467197	333370032	/nfs/dbraw/zinc/37/00/32/333370032.db2.gz	UHUKGZIFTUXYIC-AWEZNQCLSA-N	1	1	292.854	5.053	20	30		CKEDMO
C[C@@H](C1CC1)[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1	ZINC000385768498	336156109	/nfs/dbraw/zinc/15/61/09/336156109.db2.gz	BHCIIQBMTKXFDC-KRWDZBQOSA-N	1	1	298.474	5.007	20	30		CKEDMO
C[C@H](C1CC1)[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1	ZINC000385768503	336156119	/nfs/dbraw/zinc/15/61/19/336156119.db2.gz	BHCIIQBMTKXFDC-QGZVFWFLSA-N	1	1	298.474	5.007	20	30		CKEDMO
C=CCC[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccco1	ZINC000425962734	264227867	/nfs/dbraw/zinc/22/78/67/264227867.db2.gz	ZIBICVZGRPEAPD-GOSISDBHSA-N	1	1	299.389	5.093	20	30		CKEDMO
C=CCC[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccco1	ZINC000425962738	264228094	/nfs/dbraw/zinc/22/80/94/264228094.db2.gz	ZIBICVZGRPEAPD-SFHVURJKSA-N	1	1	299.389	5.093	20	30		CKEDMO
C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CCCCC#N	ZINC000464766957	331366990	/nfs/dbraw/zinc/36/69/90/331366990.db2.gz	VKKIXCBAROLOMN-KRWDZBQOSA-N	1	1	292.426	5.040	20	30		CKEDMO
C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CCCCC#N	ZINC000464766958	331367054	/nfs/dbraw/zinc/36/70/54/331367054.db2.gz	VKKIXCBAROLOMN-QGZVFWFLSA-N	1	1	292.426	5.040	20	30		CKEDMO