smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C(C#N)[C@]1(Cc2ccccc2)C[C@H](C)[N@H+](C)C[C@@H]1C	ZINC000004696769	452811963	/nfs/dbraw/zinc/81/19/63/452811963.db2.gz	ISTLFIQBNBWVQL-YTXYEVPYSA-N	1	3	328.456	3.278	40	30		EGEBHO
CCOC(=O)C(C#N)[C@]1(Cc2ccccc2)C[C@H](C)[N@@H+](C)C[C@@H]1C	ZINC000004696769	452811971	/nfs/dbraw/zinc/81/19/71/452811971.db2.gz	ISTLFIQBNBWVQL-YTXYEVPYSA-N	1	3	328.456	3.278	40	30		EGEBHO
CCOC(=O)C(C#N)[C@@]1(Cc2ccccc2)C[C@@H](C)[N@H+](C)C[C@@H]1C	ZINC000013509765	453467216	/nfs/dbraw/zinc/46/72/16/453467216.db2.gz	ISTLFIQBNBWVQL-IXIUHKBRSA-N	1	3	328.456	3.278	40	30		EGEBHO
CCOC(=O)C(C#N)[C@@]1(Cc2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C	ZINC000013509765	453467225	/nfs/dbraw/zinc/46/72/25/453467225.db2.gz	ISTLFIQBNBWVQL-IXIUHKBRSA-N	1	3	328.456	3.278	40	30		EGEBHO
C[NH+]=C(NCc1ccco1)NC[C@@H]1CCCN(C)[C@H]1c1cccs1	ZINC000253370374	455835078	/nfs/dbraw/zinc/83/50/78/455835078.db2.gz	QAWYGQLLILAITG-WMLDXEAASA-N	1	3	346.500	3.089	40	30		EGEBHO
C[NH+]=C(NCc1ccoc1)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000177172230	454831972	/nfs/dbraw/zinc/83/19/72/454831972.db2.gz	FOJDBEWLYUFYCK-RDJZCZTQSA-N	1	3	346.500	3.089	40	30		EGEBHO
CCOC(=O)C(C#N)[C@@]1(Cc2ccccc2)C[C@H](C)[N@@H+](C)C[C@@H]1C	ZINC000004696771	210250592	/nfs/dbraw/zinc/25/05/92/210250592.db2.gz	ISTLFIQBNBWVQL-ZTTFOMCMSA-N	1	3	328.456	3.278	40	30		EGEBHO
CCOC(=O)C(C#N)[C@@]1(Cc2ccccc2)C[C@H](C)[N@H+](C)C[C@@H]1C	ZINC000004696771	210250588	/nfs/dbraw/zinc/25/05/88/210250588.db2.gz	ISTLFIQBNBWVQL-ZTTFOMCMSA-N	1	3	328.456	3.278	40	30		EGEBHO
C[NH+]=C(NCc1ccoc1)NC[C@@H]1CCCN(C)[C@H]1c1cccs1	ZINC000246134457	455433758	/nfs/dbraw/zinc/43/37/58/455433758.db2.gz	FOJDBEWLYUFYCK-DOTOQJQBSA-N	1	3	346.500	3.089	40	30		EGEBHO
C[NH+]=C(NCc1ccco1)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000195530942	455980771	/nfs/dbraw/zinc/98/07/71/455980771.db2.gz	QAWYGQLLILAITG-YOEHRIQHSA-N	1	3	346.500	3.089	40	30		EGEBHO
CCOC(=O)C(C#N)[C@@]1(Cc2ccccc2)C[C@@H](C)[N@H+](C)C[C@@H]1C	ZINC000013509768	453467366	/nfs/dbraw/zinc/46/73/66/453467366.db2.gz	ISTLFIQBNBWVQL-WBQJQJEBSA-N	1	3	328.456	3.278	40	30		EGEBHO
CCOC(=O)C(C#N)[C@@]1(Cc2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C	ZINC000013509768	453467376	/nfs/dbraw/zinc/46/73/76/453467376.db2.gz	ISTLFIQBNBWVQL-WBQJQJEBSA-N	1	3	328.456	3.278	40	30		EGEBHO
CCOC(=O)C(C#N)[C@]1(Cc2ccccc2)C[C@@H](C)[N@H+](C)C[C@@H]1C	ZINC000013509771	453468002	/nfs/dbraw/zinc/46/80/02/453468002.db2.gz	ISTLFIQBNBWVQL-QXOCSCLMSA-N	1	3	328.456	3.278	40	30		EGEBHO
CCOC(=O)C(C#N)[C@]1(Cc2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C	ZINC000013509771	453468007	/nfs/dbraw/zinc/46/80/07/453468007.db2.gz	ISTLFIQBNBWVQL-QXOCSCLMSA-N	1	3	328.456	3.278	40	30		EGEBHO
CCOC(=O)C(C#N)[C@@]1(Cc2ccccc2)C[C@H](C)[N@H+](C)C[C@@H]1C	ZINC000000341244	452566024	/nfs/dbraw/zinc/56/60/24/452566024.db2.gz	ISTLFIQBNBWVQL-JSFADZTLSA-N	1	3	328.456	3.278	40	30		EGEBHO
CCOC(=O)C(C#N)[C@@]1(Cc2ccccc2)C[C@H](C)[N@@H+](C)C[C@@H]1C	ZINC000000341244	452566031	/nfs/dbraw/zinc/56/60/31/452566031.db2.gz	ISTLFIQBNBWVQL-JSFADZTLSA-N	1	3	328.456	3.278	40	30		EGEBHO