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)CS(=O)(=O)Cc1[nH+]ccn1C(C)C	ZINC000161218470	349400772	/nfs/dbraw/zinc/40/07/72/349400772.db2.gz	LYDCKIYWCJBNNW-UHFFFAOYSA-N	1	2	244.360	2.035	10	70		BEIELO
COc1ccc[nH+]c1NCC(F)(F)F	ZINC000160197108	353518051	/nfs/dbraw/zinc/51/80/51/353518051.db2.gz	GBFPKPASAULDHN-UHFFFAOYSA-N	1	2	206.167	2.064	10	70		BEIELO
COc1ccc[nH+]c1NCC[C@@H]1CCCO1	ZINC000160214611	323064237	/nfs/dbraw/zinc/06/42/37/323064237.db2.gz	BLZSFHSGASGPFK-JTQLQIEISA-N	1	2	222.288	2.071	10	70		BEIELO
CCn1cc[nH+]c1CN1CCO[C@@H]2CCCC[C@@H]21	ZINC000160849097	349330553	/nfs/dbraw/zinc/33/05/53/349330553.db2.gz	HSDVINUQXSHNDF-QWHCGFSZSA-N	1	2	249.358	2.046	10	70		BEIELO
CCn1ccnc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21	ZINC000160849097	349330557	/nfs/dbraw/zinc/33/05/57/349330557.db2.gz	HSDVINUQXSHNDF-QWHCGFSZSA-N	1	2	249.358	2.046	10	70		BEIELO
CCn1ccnc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21	ZINC000160849097	349330560	/nfs/dbraw/zinc/33/05/60/349330560.db2.gz	HSDVINUQXSHNDF-QWHCGFSZSA-N	1	2	249.358	2.046	10	70		BEIELO
CCC1(O)C[NH+](C/C=C\c2ccccc2)C1	ZINC000216953867	134183272	/nfs/dbraw/zinc/18/32/72/134183272.db2.gz	MASLECCUOKMNGJ-TWGQIWQCSA-N	1	2	217.312	2.157	10	70		BEIELO
CCn1cc[nH+]c1CN1CCO[C@H]2CCCC[C@@H]21	ZINC000160848959	349330733	/nfs/dbraw/zinc/33/07/33/349330733.db2.gz	HSDVINUQXSHNDF-STQMWFEESA-N	1	2	249.358	2.046	10	70		BEIELO
CCn1ccnc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21	ZINC000160848959	349330735	/nfs/dbraw/zinc/33/07/35/349330735.db2.gz	HSDVINUQXSHNDF-STQMWFEESA-N	1	2	249.358	2.046	10	70		BEIELO
CCn1ccnc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21	ZINC000160848959	349330738	/nfs/dbraw/zinc/33/07/38/349330738.db2.gz	HSDVINUQXSHNDF-STQMWFEESA-N	1	2	249.358	2.046	10	70		BEIELO
C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCS[C@@H](C)C1	ZINC000217729677	134250537	/nfs/dbraw/zinc/25/05/37/134250537.db2.gz	GQZRPGWXQZNPTJ-VHSXEESVSA-N	1	2	245.388	2.154	10	70		BEIELO
C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCS[C@@H](C)C1	ZINC000217729677	134250538	/nfs/dbraw/zinc/25/05/38/134250538.db2.gz	GQZRPGWXQZNPTJ-VHSXEESVSA-N	1	2	245.388	2.154	10	70		BEIELO