smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/[NH+]=C\c1c(O)ccc2ccccc12	12495130	166071361	/nfs/dbraw/zinc/07/13/61/166071361.db2.gz	YLXTWYXVORBYHH-JYRVWZFOSA-N	1	1	185.226	2.594	40	30		AFEBMO
C/[NH+]=C/c1c(O)ccc2ccccc12	100361177	166073075	/nfs/dbraw/zinc/07/30/75/166073075.db2.gz	YLXTWYXVORBYHH-MDWZMJQESA-N	1	1	185.226	2.594	40	30		AFEBMO
CC(C)(C)/[NH+]=C\C#Cc1ccccc1	5379461	166342914	/nfs/dbraw/zinc/34/29/14/166342914.db2.gz	QXJNKOSIRUHXRU-KAMYIIQDSA-N	1	1	185.270	2.907	40	30		AFEBMO
CC[NH+](CC)C1(C#N)CCCCC1	19935174	167163747	/nfs/dbraw/zinc/16/37/47/167163747.db2.gz	HLOJFJXMLGNYDL-UHFFFAOYSA-N	1	1	180.295	2.555	40	30		AFEBMO
CCCC/[NH+]=C/c1ccccc1O	16929739	343044618	/nfs/dbraw/zinc/04/46/18/343044618.db2.gz	GLBOKVQFOAWGML-FMIVXFBMSA-N	1	1	177.247	2.611	40	30		AFEBMO
Cc1ccc(/[NH+]=C/N(C)C)c(Cl)c1	17782474	343047271	/nfs/dbraw/zinc/04/72/71/343047271.db2.gz	DSVMZQXCDHLYHY-KPKJPENVSA-N	1	1	196.681	2.870	40	30		AFEBMO
Cc1ccc(/[NH+]=C\N(C)C)c(Cl)c1	104200213	343729595	/nfs/dbraw/zinc/72/95/95/343729595.db2.gz	DSVMZQXCDHLYHY-GHXNOFRVSA-N	1	1	196.681	2.870	40	30		AFEBMO
C=CC[NH+](CC=C)Cc1ccc(C)o1	199427549	630837105	/nfs/dbraw/zinc/83/71/05/630837105.db2.gz	ZZNLPPAUQCRQIC-UHFFFAOYSA-N	1	1	191.274	2.762	40	30		AFEBMO