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@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34/C=[NH+]/CC[NH+]3CCCCC3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1	ZINC000070697332	553612836	/nfs/dbraw/zinc/61/28/36/553612836.db2.gz	SAOIEZMVCXDDFC-CPXDYVAVSA-N	2	2	514.707	3.256	50	30	biogenic	KGEALP
CC[NH+](CC)c1ccc(NN=C(C(C)=O)C(=O)NCCNC(=O)C(=NNc2ccc([NH+](CC)CC)cc2)C(C)=O)cc1	ZINC000097964880	553901259	/nfs/dbraw/zinc/90/12/59/553901259.db2.gz	OSMPPQHAFZGEKM-JEVCVBCSSA-N	2	2	578.718	3.025	50	30		KGEALP
N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccco3)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccco3)[NH+]=C(N)N2)cc1C#N	ZINC000150426957	571491151	/nfs/dbraw/zinc/49/11/51/571491151.db2.gz	UNRHPDAVPKOOCE-ISILISOKSA-N	2	2	720.801	3.496	50	30		KGEALP
CCc1[nH+]c2c(C)cc(N3CC[NH+](CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1	ZINC000217781414	562877790	/nfs/dbraw/zinc/87/77/90/562877790.db2.gz	REQQVBGILUTQNN-UHFFFAOYSA-N	2	2	588.713	3.432	50	30	in-vitro	KGEALP
N#Cc1ccccc1C[N@@H+]1CCCCCCNC(=O)[C@@H]2C[C@@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]21	ZINC000257176771	1059546790	/nfs/dbraw/zinc/54/67/90/1059546790.db2.gz	APHADAVOKJSVAW-PFBJBMPXSA-N	2	2	514.674	3.189	50	30		KGEALP
N#Cc1ccccc1C[N@H+]1CCCCCCNC(=O)[C@@H]2C[C@@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]21	ZINC000257176771	1059546771	/nfs/dbraw/zinc/54/67/71/1059546771.db2.gz	APHADAVOKJSVAW-PFBJBMPXSA-N	2	2	514.674	3.189	50	30		KGEALP