smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OCCOCC[NH+]1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1	ZINC000031938648	556411756	/nfs/dbraw/zinc/41/17/56/556411756.db2.gz	KZLMZAAAQRUNKZ-SDPNRITHSA-N	1	1	478.580	4.618	10	10	in-vitro	JJCEMO
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[NH+]4C[C@@H](C)O[C@H](C)C4)c32)cc1Cl	ZINC000017418531	556260717	/nfs/dbraw/zinc/26/07/17/556260717.db2.gz	VKYLTUMTTHDGNC-ZIAGYGMSSA-N	1	1	458.942	4.970	10	10		JJCEMO
O=c1ccc(-c2ccc(OC(F)(F)F)cc2)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccccc2O)C1	ZINC000004258725	194386265	/nfs/dbraw/zinc/38/62/65/194386265.db2.gz	FJBUCGSUDNIINZ-QFBILLFUSA-N	1	1	456.464	4.739	10	10	biogenic	JJCEMO
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)c32)cc1Cl	ZINC000017418535	556260654	/nfs/dbraw/zinc/26/06/54/556260654.db2.gz	VKYLTUMTTHDGNC-OKILXGFUSA-N	1	1	458.942	4.970	10	10		JJCEMO
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)c32)cc1Cl	ZINC000017418535	556260658	/nfs/dbraw/zinc/26/06/58/556260658.db2.gz	VKYLTUMTTHDGNC-OKILXGFUSA-N	1	1	458.942	4.970	10	10		JJCEMO
COCCN(C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1c1ccccc1OC)C(=O)C1CCCC1	ZINC000034760606	523735874	/nfs/dbraw/zinc/73/58/74/523735874.db2.gz	KCNMFQIFMLOVDK-LEAFIULHSA-N	1	1	493.692	4.642	10	10		JJCEMO
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[NH+]4C[C@H](C)O[C@@H](C)C4)c32)cc1Cl	ZINC000017418527	556260829	/nfs/dbraw/zinc/26/08/29/556260829.db2.gz	VKYLTUMTTHDGNC-KBPBESRZSA-N	1	1	458.942	4.970	10	10		JJCEMO
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H]([N@@H+](C)Cc1ccccc1O)CC2	ZINC000000689682	553758839	/nfs/dbraw/zinc/75/88/39/553758839.db2.gz	SOFSXTKPGSIDCI-OAQYLSRUSA-N	1	1	477.557	4.573	10	10		JJCEMO