smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N+]1(CC#Cc2ccc(C#CC[N+]3(CC=C)CCCC3)cc2)CCCC1	ZINC000067194130	571077298	/nfs/dbraw/zinc/07/72/98/571077298.db2.gz	KWAOMLVMQLQEJK-UHFFFAOYSA-N	2	0	374.572	3.983	50	30		FHEARP
[NH2+]=C(NC1CCCCC1)c1cc(C(=[NH2+])NC2CCCCC2)cc([N+](=O)[O-])c1	ZINC000003062728	526804160	/nfs/dbraw/zinc/80/41/60/526804160.db2.gz	WSGMETRWNJLEFE-UHFFFAOYSA-N	2	0	371.485	3.671	50	30		FHEARP
CC1(C)CC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC(C)(C)[NH2+]1	ZINC000023718774	520287763	/nfs/dbraw/zinc/28/77/63/520287763.db2.gz	BIGAQNFSZSAZIW-UHFFFAOYSA-N	2	0	365.525	3.863	50	30		FHEARP
COc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OCCCC#N	ZINC000103341033	524068743	/nfs/dbraw/zinc/06/87/43/524068743.db2.gz	AHYIAUHJJRYUIX-UHFFFAOYSA-N	2	0	359.514	3.777	50	30		FHEARP
CC[N@H+](CCOc1ccc(C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1	ZINC000076089755	571274276	/nfs/dbraw/zinc/27/42/76/571274276.db2.gz	QYBZHEASSIVDSL-QFIPXVFZSA-N	2	0	363.505	3.781	50	30		FHEARP
N#Cc1ccccc1-c1ccc(CN2CCC([NH+]3CCSCC3)CC2)o1	ZINC000215560616	571235373	/nfs/dbraw/zinc/23/53/73/571235373.db2.gz	ZENHFTGKQPTOBE-UHFFFAOYSA-N	2	0	367.518	3.831	50	30		FHEARP
N#Cc1ccccc1C[NH+]1CCC(c2nccn2Cc2cscn2)CC1	ZINC000091973893	571323386	/nfs/dbraw/zinc/32/33/86/571323386.db2.gz	ANSHFIHFQVHOSI-UHFFFAOYSA-N	2	0	363.490	3.639	50	30		FHEARP
Cc1ccc(C2(C[NH+]3CCC(C#N)(c4ccccc4)CC3)CC[NH2+]CC2)nc1	ZINC000065525975	221229784	/nfs/dbraw/zinc/22/97/84/221229784.db2.gz	AXIHVEYPGNWJHF-UHFFFAOYSA-N	2	0	374.532	3.569	50	30		FHEARP
CC[N@H+](CCOc1ccc(C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1	ZINC000076089759	571274259	/nfs/dbraw/zinc/27/42/59/571274259.db2.gz	QYBZHEASSIVDSL-JOCHJYFZSA-N	2	0	363.505	3.781	50	30		FHEARP