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[C@@H]1CC=C[C@@H](C)N1C(=O)COc1ccc(N2CCN(c3cccc[nH+]3)CC2)nn1	ZINC000012164956	519107246	/nfs/dbraw/zinc/10/72/46/519107246.db2.gz	JXECYQZHJXOZHK-WOJBJXKFSA-N	1	2	434.544	2.699	10	30		IFEELO
CCN(CC)C(=O)C=C(C)[NH2+]Nc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-]	ZINC000009096782	520440156	/nfs/dbraw/zinc/44/01/56/520440156.db2.gz	ULZKQJJJLNVXCU-XMHGGMMESA-N	1	2	427.527	2.672	10	30		IFEELO
COc1cccc([C@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1	ZINC000095116729	524170544	/nfs/dbraw/zinc/17/05/44/524170544.db2.gz	QEHLGPIGDMUDTE-FQEVSTJZSA-N	1	2	435.484	2.900	10	30		IFEELO
COc1ccc(C(=O)N=C(NCC[NH+]2CCOCC2)Nc2ccccc2C)cc1OC	ZINC000046133610	557040544	/nfs/dbraw/zinc/04/05/44/557040544.db2.gz	QNZSTHIYPRZXRQ-UHFFFAOYSA-N	1	2	426.517	2.542	10	30		IFEELO
COCCN=C1Nc2ccccc2C[NH2+][C@@]12CCN(C(=O)Cc1c[nH]c3ccccc13)C2	ZINC000097086833	557832036	/nfs/dbraw/zinc/83/20/36/557832036.db2.gz	MPORFFPZJBNPTB-RUZDIDTESA-N	1	2	431.540	2.942	10	30		IFEELO
COCCN=C1Nc2ccccc2C[NH2+][C@]12CCN(C(=O)Cc1c[nH]c3ccccc13)C2	ZINC000097086834	557832041	/nfs/dbraw/zinc/83/20/41/557832041.db2.gz	MPORFFPZJBNPTB-VWLOTQADSA-N	1	2	431.540	2.942	10	30		IFEELO
CCOc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1	ZINC000027706721	563045599	/nfs/dbraw/zinc/04/55/99/563045599.db2.gz	ZBGVGPPNOOBVQH-QGZVFWFLSA-N	1	2	428.920	2.823	10	30		IFEELO
CCOc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1	ZINC000027706721	563045601	/nfs/dbraw/zinc/04/56/01/563045601.db2.gz	ZBGVGPPNOOBVQH-QGZVFWFLSA-N	1	2	428.920	2.823	10	30		IFEELO
COc1cccc([C@@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1	ZINC000095116728	524108899	/nfs/dbraw/zinc/10/88/99/524108899.db2.gz	QEHLGPIGDMUDTE-HXUWFJFHSA-N	1	2	435.484	2.900	10	30		IFEELO
CCOc1cc(N)c(Cl)cc1C(=O)NC[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1	ZINC000027706727	563045583	/nfs/dbraw/zinc/04/55/83/563045583.db2.gz	ZBGVGPPNOOBVQH-KRWDZBQOSA-N	1	2	428.920	2.823	10	30		IFEELO
CCOc1cc(N)c(Cl)cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1	ZINC000027706727	563045585	/nfs/dbraw/zinc/04/55/85/563045585.db2.gz	ZBGVGPPNOOBVQH-KRWDZBQOSA-N	1	2	428.920	2.823	10	30		IFEELO