smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C=C1/C[C@H](C)[C@](C)(OC(C)=O)C(=O)COC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@H]2O3	ZINC000238758376	717162720	/nfs/dbraw/zinc/16/27/20/717162720.db2.gz	TXXHEKXTAGPLRN-PGYYLOSRSA-N	1	0	408.471	1.840	1	5		HDBFRO
C[N+]1(C)[C@@H]2CC[C@H]1C[C@H](n1cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nn1)C2	ZINC000100597428	717143573	/nfs/dbraw/zinc/14/35/73/717143573.db2.gz	XMYRTVGNISQHIG-OSYLJGHBSA-N	1	0	421.503	1.607	1	5		HDBFRO
C/C=C1/C[C@H](C)[C@](C)(OC(C)=O)C(=O)COC2=CC[N+]3(C)CC[C@H](OC1=O)[C@@H]2O3	ZINC000238785559	717163707	/nfs/dbraw/zinc/16/37/07/717163707.db2.gz	TXXHEKXTAGPLRN-LTFGEJOGSA-N	1	0	408.471	1.840	1	5		HDBFRO
C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@@](O)(c3cccs3)C3=C[C@@H]4O[C@@H]4S3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000473235333	717182766	/nfs/dbraw/zinc/18/27/66/717182766.db2.gz	YEAMHTXDSGCXQR-BNCXZNCZSA-N	1	0	408.521	1.592	1	5		HDBFRO
COc1ccc(CCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1	ZINC000073197381	717134408	/nfs/dbraw/zinc/13/44/08/717134408.db2.gz	UIGQECDMPIHSSA-UHFFFAOYSA-O	1	0	407.926	1.742	1	5		HDBFRO
C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@](O)(c3cccs3)[C@]34O[C@H]3C=CS4)C[C@H]1[C@@H]1O[C@@H]12	ZINC000473234821	717182872	/nfs/dbraw/zinc/18/28/72/717182872.db2.gz	BECIZFBLXAODNP-AWMPRELVSA-N	1	0	408.521	1.592	1	5		HDBFRO
C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@](O)(c3cccs3)[C@@]34O[C@@H]3C=CS4)C[C@H]1[C@@H]1O[C@@H]12	ZINC000473234835	717182838	/nfs/dbraw/zinc/18/28/38/717182838.db2.gz	BECIZFBLXAODNP-ITNJZHNZSA-N	1	0	408.521	1.592	1	5		HDBFRO
CC(=O)O[C@]1(C)C(=O)COC2=CC[N+]3(C)CC[C@H](OC(=O)[C@]4(C[C@@H]1C)O[C@@H]4C)[C@H]2O3	ZINC000238743413	717162108	/nfs/dbraw/zinc/16/21/08/717162108.db2.gz	UMYQBHPZRJMMMT-XDXRRDORSA-N	1	0	424.470	1.051	1	5		HDBFRO
C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@@](O)(c3cccs3)C3=C[C@H]4O[C@H]4S3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000473235336	717182936	/nfs/dbraw/zinc/18/29/36/717182936.db2.gz	YEAMHTXDSGCXQR-YRGHUSBHSA-N	1	0	408.521	1.592	1	5		HDBFRO