smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)CCCNC(=O)C[N+]12CC[N+](CC(=O)NCCCC(=O)OCC)(CC1)CC2	ZINC000013131661	556357871	/nfs/dbraw/zinc/35/78/71/556357871.db2.gz	ZDXSANJSILMVAA-UHFFFAOYSA-P	2	0	456.584	-0.434	50	30		JBEARP
COc1cc(NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])cc2ccccc21	ZINC000025668109	556229046	/nfs/dbraw/zinc/22/90/46/556229046.db2.gz	SYEDKPVXKRDNKP-ZWKOTPCHSA-N	3	0	485.593	-0.294	50	30		JBEARP
C[NH2+]CC(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000033697216	521959182	/nfs/dbraw/zinc/95/91/82/521959182.db2.gz	JCWLDUJEFLRICN-HZPDHXFCSA-N	2	0	462.511	-0.718	50	30		JBEARP
C[NH2+]CC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000033697219	521958238	/nfs/dbraw/zinc/95/82/38/521958238.db2.gz	JCWLDUJEFLRICN-CVEARBPZSA-N	2	0	462.511	-0.718	50	30		JBEARP
COc1cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])cc2ccccc21	ZINC000035189470	569677816	/nfs/dbraw/zinc/67/78/16/569677816.db2.gz	SYEDKPVXKRDNKP-MSOLQXFVSA-N	3	0	485.593	-0.294	50	30		JBEARP
O=C(CCC[N+]12CC[N+](CCCC(=O)ON3C(=O)CCC3=O)(CC1)CC2)ON1C(=O)CCC1=O	ZINC000097972503	569748253	/nfs/dbraw/zinc/74/82/53/569748253.db2.gz	UNKFBSBMCKTTEE-UHFFFAOYSA-N	2	0	480.518	-0.578	50	30	in-vitro	JBEARP