smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Clc1cccc(/[NH+]=C/C=C\c2ccccc2)c1	ZINC000017023781	342919518	/nfs/dbraw/zinc/91/95/18/342919518.db2.gz	KAWRHCVFQIILQA-YMZVDNRMSA-N	1	2	241.721	4.756	40	30		BJEBLO
Cc1cccc(/[NH+]=C/C=C\c2ccccc2)c1C	ZINC000017024001	188280609	/nfs/dbraw/zinc/28/06/09/188280609.db2.gz	VMXNOIDTGYMKJI-ZFOVROJDSA-N	1	2	235.330	4.719	40	30		BJEBLO
Cc1cccc(/[NH+]=C/C=C/c2ccccc2)c1C	ZINC000017024004	384479408	/nfs/dbraw/zinc/47/94/08/384479408.db2.gz	VMXNOIDTGYMKJI-TYUKPDHWSA-N	1	2	235.330	4.719	40	30		BJEBLO
C(C=CNc1ccccc1)=CC=[NH+]c1ccccc1	ZINC000017285455	384486383	/nfs/dbraw/zinc/48/63/83/384486383.db2.gz	UDWRJSSBFBSTOO-VNNQXNQVSA-N	1	2	248.329	4.571	40	30		BJEBLO
C(C=CNc1ccccc1)=CC=[NH+]c1ccccc1	ZINC000100027693	384610272	/nfs/dbraw/zinc/61/02/72/384610272.db2.gz	UDWRJSSBFBSTOO-UYIRBLPGSA-N	1	2	248.329	4.571	40	30		BJEBLO
C(C=CNc1ccccc1)=CC=[NH+]c1ccccc1	ZINC000100027696	384610474	/nfs/dbraw/zinc/61/04/74/384610474.db2.gz	UDWRJSSBFBSTOO-PTOLXUGZSA-N	1	2	248.329	4.571	40	30		BJEBLO
C(C=CNc1ccccc1)=CC=[NH+]c1ccccc1	ZINC000100027701	166226150	/nfs/dbraw/zinc/22/61/50/166226150.db2.gz	UDWRJSSBFBSTOO-UFRBDIPQSA-N	1	2	248.329	4.571	40	30		BJEBLO
CCCCCCCCCCNc1cccc[nH+]1	ZINC000100502503	387850717	/nfs/dbraw/zinc/85/07/17/387850717.db2.gz	SVNPVKIONFWLJU-UHFFFAOYSA-N	1	2	234.387	4.634	40	30		BJEBLO
Clc1cccc(/[NH+]=C\C=C/c2ccccc2)c1	ZINC000104163114	384808252	/nfs/dbraw/zinc/80/82/52/384808252.db2.gz	KAWRHCVFQIILQA-AFJXRGGSSA-N	1	2	241.721	4.756	40	30		BJEBLO
Clc1cccc(/[NH+]=C\C=C\c2ccccc2)c1	ZINC000104163118	384806914	/nfs/dbraw/zinc/80/69/14/384806914.db2.gz	KAWRHCVFQIILQA-GZZPHGLASA-N	1	2	241.721	4.756	40	30		BJEBLO
Cc1cccc(/[NH+]=C\C=C/c2ccccc2)c1C	ZINC000104164292	179003230	/nfs/dbraw/zinc/00/32/30/179003230.db2.gz	VMXNOIDTGYMKJI-IYQZDSFBSA-N	1	2	235.330	4.719	40	30		BJEBLO
Cc1cccc(/[NH+]=C\C=C\c2ccccc2)c1C	ZINC000104164297	179003299	/nfs/dbraw/zinc/00/32/99/179003299.db2.gz	VMXNOIDTGYMKJI-KHFJBXOGSA-N	1	2	235.330	4.719	40	30		BJEBLO
C(C=CNc1ccccc1)=CC=[NH+]c1ccccc1	ZINC000254303480	518368832	/nfs/dbraw/zinc/36/88/32/518368832.db2.gz	UDWRJSSBFBSTOO-HBYDVYBCSA-N	1	2	248.329	4.571	40	30		BJEBLO
C(C=CNc1ccccc1)=CC=[NH+]c1ccccc1	ZINC000254303483	518369192	/nfs/dbraw/zinc/36/91/92/518369192.db2.gz	UDWRJSSBFBSTOO-LZQZHQDYSA-N	1	2	248.329	4.571	40	30		BJEBLO
C(C=CNc1ccccc1)=CC=[NH+]c1ccccc1	ZINC000254303485	518369689	/nfs/dbraw/zinc/36/96/89/518369689.db2.gz	UDWRJSSBFBSTOO-UBJFOAOXSA-N	1	2	248.329	4.571	40	30		BJEBLO
C(C=CNc1ccccc1)=CC=[NH+]c1ccccc1	ZINC000254303487	518370088	/nfs/dbraw/zinc/37/00/88/518370088.db2.gz	UDWRJSSBFBSTOO-ZDZSGIIXSA-N	1	2	248.329	4.571	40	30		BJEBLO