smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[N@H+](C)CCN1CC2(CC[NH+](Cc3cccc(C#N)c3)CC2)OC1=O	ZINC000072410815	205347942	/nfs/dbraw/zinc/34/79/42/205347942.db2.gz	BVXMRLXASIXFQP-UHFFFAOYSA-N	2	0	384.524	2.933	50	30		GFEARP
C=CCC(O)(CC=C)C[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1	ZINC000011998558	518688967	/nfs/dbraw/zinc/68/89/67/518688967.db2.gz	TVFLOQAQDOKMFD-NRFANRHFSA-N	2	0	388.552	2.885	50	30		GFEARP
CC[NH+](C)C[C@H]1CCN(c2nc(N3CC[C@H](C[N@@H+](C)CC)C3)ccc2C#N)C1	ZINC000170606598	570865158	/nfs/dbraw/zinc/86/51/58/570865158.db2.gz	DBJNYNFAKKSZLL-RTBURBONSA-N	2	0	384.572	2.509	50	30		GFEARP
Cc1ccc(C2(C[NH+]3CCN(c4ccccc4C#N)CC3)CC[NH2+]CC2)nc1	ZINC000065492433	136164037	/nfs/dbraw/zinc/16/40/37/136164037.db2.gz	BGZSOGDESGRJOX-UHFFFAOYSA-N	2	0	375.520	2.705	50	30		GFEARP
O=[N+]([O-])c1ccc(C[N+](=O)[C@@H]2CCCC[C@@H]2[N+](=O)Cc2ccc([N+](=O)[O-])o2)o1	ZINC000016034468	570912316	/nfs/dbraw/zinc/91/23/16/570912316.db2.gz	OJDFVZQCZCZWQF-ANISEGJQSA-N	2	0	392.324	2.559	50	30		GFEARP
CC[NH+](CC)CCn1c(N)[n+](CC(=O)c2ccc(OC)cc2)c2ccccc21	ZINC000100855228	520713419	/nfs/dbraw/zinc/71/34/19/520713419.db2.gz	NKBJJTOKVOASSW-UHFFFAOYSA-O	2	0	381.500	2.744	50	30		GFEARP
CC[NH+](CC)C[C@H](O)COc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1OC	ZINC000095505702	520736819	/nfs/dbraw/zinc/73/68/19/520736819.db2.gz	OZJFKJICRPGSRE-IBGZPJMESA-N	2	0	389.540	2.902	50	30		GFEARP
C=CCC(O)(CC=C)C[NH2+]Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1	ZINC000011998554	518688661	/nfs/dbraw/zinc/68/86/61/518688661.db2.gz	TVFLOQAQDOKMFD-OAQYLSRUSA-N	2	0	388.552	2.885	50	30		GFEARP
CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1OC	ZINC000095505703	520721913	/nfs/dbraw/zinc/72/19/13/520721913.db2.gz	OZJFKJICRPGSRE-LJQANCHMSA-N	2	0	389.540	2.902	50	30		GFEARP
CC[NH+](C)C[C@H]1CCN(c2nc(N3CC[C@@H](C[N@@H+](C)CC)C3)ccc2C#N)C1	ZINC000170606597	570865141	/nfs/dbraw/zinc/86/51/41/570865141.db2.gz	DBJNYNFAKKSZLL-RBUKOAKNSA-N	2	0	384.572	2.509	50	30		GFEARP
C[NH+](C)CCOc1ccccc1-c1c(C#N)c(N)nc2c1[C@H]1CC[C@@H](C2)[N@@H+]1C	ZINC000067909206	205268986	/nfs/dbraw/zinc/26/89/86/205268986.db2.gz	LVVNSMLCOFCYLV-KBXCAEBGSA-N	2	0	377.492	2.834	50	30		GFEARP
CC[NH+](C)C[C@@H]1CCN(c2nc(N3CC[C@H](C[N@@H+](C)CC)C3)ccc2C#N)C1	ZINC000221934332	570280305	/nfs/dbraw/zinc/28/03/05/570280305.db2.gz	DBJNYNFAKKSZLL-MOPGFXCFSA-N	2	0	384.572	2.509	50	30		GFEARP
CC[NH+](C)C[C@@H]1CCN(c2nc(N3CC[C@@H](C[N@@H+](C)CC)C3)ccc2C#N)C1	ZINC000221934273	570280341	/nfs/dbraw/zinc/28/03/41/570280341.db2.gz	DBJNYNFAKKSZLL-OALUTQOASA-N	2	0	384.572	2.509	50	30		GFEARP
O=C(C[N+]12CC[N+](CC(=O)c3ccc(F)cc3)(CC1)CC2)c1ccc(F)cc1	ZINC000003279450	717095361	/nfs/dbraw/zinc/09/53/61/717095361.db2.gz	WVASJLGRPVJXNH-UHFFFAOYSA-N	2	0	386.442	2.691	50	30		GFEARP