smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(NC(=[NH+]CCC[NH+]2CCOCC2)C(c2ccccc2)c2ccccc2)cc1	ZINC000004832309	556014323	/nfs/dbraw/zinc/01/43/23/556014323.db2.gz	JWGSDUHRYRZDJS-UHFFFAOYSA-N	2	2	427.592	5.169	50	30		IKEALP
C[C@@H]([NH2+]C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CCCC1)c1ccccc1	ZINC000097002557	556978683	/nfs/dbraw/zinc/97/86/83/556978683.db2.gz	STFIJOPRPAEUEU-JOCHJYFZSA-N	2	2	427.596	5.217	50	30		IKEALP
COc1ccc(C[N@H+](CCC#N)CC[C@]2(c3ccccc3)C[C@H](C)[NH+](C)C[C@@H]2C)cc1OC	ZINC000239403282	569268918	/nfs/dbraw/zinc/26/89/18/569268918.db2.gz	RRSOUPVPFREUEZ-LXWOLXCRSA-N	2	2	449.639	5.108	50	30		IKEALP
COc1ccc(C[N@@H+](CCC#N)CC[C@]2(c3ccccc3)C[C@H](C)[NH+](C)C[C@@H]2C)cc1OC	ZINC000239403282	569268919	/nfs/dbraw/zinc/26/89/19/569268919.db2.gz	RRSOUPVPFREUEZ-LXWOLXCRSA-N	2	2	449.639	5.108	50	30		IKEALP
COc1ccc(C[NH+](CCC#N)CC[C@]2(c3ccccc3)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC	ZINC000239403282	569268921	/nfs/dbraw/zinc/26/89/21/569268921.db2.gz	RRSOUPVPFREUEZ-LXWOLXCRSA-N	2	2	449.639	5.108	50	30		IKEALP
COc1ccc(C[NH+](CCC#N)CC[C@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC	ZINC000239403282	569268922	/nfs/dbraw/zinc/26/89/22/569268922.db2.gz	RRSOUPVPFREUEZ-LXWOLXCRSA-N	2	2	449.639	5.108	50	30		IKEALP
C[NH+]1CCN(/C=[NH+]/c2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccco2)CC1	ZINC000001459254	562922080	/nfs/dbraw/zinc/92/20/80/562922080.db2.gz	GSLMHCIDVZVFAJ-MWAVMZGNSA-N	2	2	449.558	5.242	50	30		IKEALP
COc1ccc(C[N@H+](CCC#N)CC[C@]2(c3ccccc3)C[C@H](C)[NH+](C)C[C@H]2C)cc1OC	ZINC000009070957	562966831	/nfs/dbraw/zinc/96/68/31/562966831.db2.gz	RRSOUPVPFREUEZ-IWHLBADBSA-N	2	2	449.639	5.108	50	30		IKEALP
COc1ccc(C[N@@H+](CCC#N)CC[C@]2(c3ccccc3)C[C@H](C)[NH+](C)C[C@H]2C)cc1OC	ZINC000009070957	562966832	/nfs/dbraw/zinc/96/68/32/562966832.db2.gz	RRSOUPVPFREUEZ-IWHLBADBSA-N	2	2	449.639	5.108	50	30		IKEALP
COc1ccc(C[NH+](CCC#N)CC[C@]2(c3ccccc3)C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC	ZINC000009070957	562966833	/nfs/dbraw/zinc/96/68/33/562966833.db2.gz	RRSOUPVPFREUEZ-IWHLBADBSA-N	2	2	449.639	5.108	50	30		IKEALP
COc1ccc(C[NH+](CCC#N)CC[C@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC	ZINC000009070957	562966834	/nfs/dbraw/zinc/96/68/34/562966834.db2.gz	RRSOUPVPFREUEZ-IWHLBADBSA-N	2	2	449.639	5.108	50	30		IKEALP
COc1ccc(C[N@H+](CCC#N)CC[C@]2(c3ccccc3)C[C@@H](C)[NH+](C)C[C@H]2C)cc1OC	ZINC000009070952	562966848	/nfs/dbraw/zinc/96/68/48/562966848.db2.gz	RRSOUPVPFREUEZ-MRJKTFCFSA-N	2	2	449.639	5.108	50	30		IKEALP
COc1ccc(C[N@@H+](CCC#N)CC[C@]2(c3ccccc3)C[C@@H](C)[NH+](C)C[C@H]2C)cc1OC	ZINC000009070952	562966849	/nfs/dbraw/zinc/96/68/49/562966849.db2.gz	RRSOUPVPFREUEZ-MRJKTFCFSA-N	2	2	449.639	5.108	50	30		IKEALP
COc1ccc(C[NH+](CCC#N)CC[C@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC	ZINC000009070952	562966850	/nfs/dbraw/zinc/96/68/50/562966850.db2.gz	RRSOUPVPFREUEZ-MRJKTFCFSA-N	2	2	449.639	5.108	50	30		IKEALP
COc1ccc(C[NH+](CCC#N)CC[C@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC	ZINC000009070952	562966851	/nfs/dbraw/zinc/96/68/51/562966851.db2.gz	RRSOUPVPFREUEZ-MRJKTFCFSA-N	2	2	449.639	5.108	50	30		IKEALP
COc1ccc(C[N@H+](CCC#N)CC[C@]2(c3ccccc3)C[C@@H](C)[NH+](C)C[C@@H]2C)cc1OC	ZINC000013510508	556510318	/nfs/dbraw/zinc/51/03/18/556510318.db2.gz	RRSOUPVPFREUEZ-JWZKTCGFSA-N	2	2	449.639	5.108	50	30		IKEALP
COc1ccc(C[N@@H+](CCC#N)CC[C@]2(c3ccccc3)C[C@@H](C)[NH+](C)C[C@@H]2C)cc1OC	ZINC000013510508	556510321	/nfs/dbraw/zinc/51/03/21/556510321.db2.gz	RRSOUPVPFREUEZ-JWZKTCGFSA-N	2	2	449.639	5.108	50	30		IKEALP
COc1ccc(C[NH+](CCC#N)CC[C@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC	ZINC000013510508	556510322	/nfs/dbraw/zinc/51/03/22/556510322.db2.gz	RRSOUPVPFREUEZ-JWZKTCGFSA-N	2	2	449.639	5.108	50	30		IKEALP
COc1ccc(C[NH+](CCC#N)CC[C@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC	ZINC000013510508	556510324	/nfs/dbraw/zinc/51/03/24/556510324.db2.gz	RRSOUPVPFREUEZ-JWZKTCGFSA-N	2	2	449.639	5.108	50	30		IKEALP
C[C@H]([NH2+]C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CCCC1)c1ccccc1	ZINC000097002549	556978647	/nfs/dbraw/zinc/97/86/47/556978647.db2.gz	STFIJOPRPAEUEU-QFIPXVFZSA-N	2	2	427.596	5.217	50	30		IKEALP
CC1(C)Cc2c(C#N)c(/[NH+]=C/N(Cc3ccccc3)Cc3ccccc3)sc2C(C)(C)[NH2+]1	ZINC000027522183	569253580	/nfs/dbraw/zinc/25/35/80/569253580.db2.gz	QEAORTCWKNTHGV-VUTHCHCSSA-N	2	2	442.632	6.141	50	30		IKEALP