smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1ccc(SC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1)c1cccnc1Cl	ZINC000218072635	568925088	/nfs/dbraw/zinc/92/50/88/568925088.db2.gz	WRPYPJJMEXUTIN-MAUKXSAKSA-N	1	0	416.978	4.739	50	70	biogenic	HJIARO
O=C(Nc1ccc(SC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1)c1ccc(Cl)nc1	ZINC000218038228	568924604	/nfs/dbraw/zinc/92/46/04/568924604.db2.gz	RBFAGBZRJZHXED-FUHWJXTLSA-N	1	0	416.978	4.739	50	70	biogenic	HJIARO
O=C(C1C[NH+](C(c2ccccc2)c2ccccc2)C1)N1CCCC[C@H]1c1cccnc1	ZINC000218018560	568923470	/nfs/dbraw/zinc/92/34/70/568923470.db2.gz	FNEHSKPMTKFHHT-VWLOTQADSA-N	1	0	411.549	4.857	50	70	biogenic	HJIARO
O=C(c1cc2ccccc2o1)N1CCC([NH+]2CCC(Oc3ccccc3F)CC2)CC1	ZINC000217591176	568895690	/nfs/dbraw/zinc/89/56/90/568895690.db2.gz	JXBGLUYGQQQOQX-UHFFFAOYSA-N	1	0	422.500	4.720	50	70		HJIARO
O=C(c1cc2ccccc2o1)N1CCC([N@@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000217596592	568896534	/nfs/dbraw/zinc/89/65/34/568896534.db2.gz	CLDAKFYENNBMCU-HSZRJFAPSA-N	1	0	418.537	4.719	50	70		HJIARO
O=C(c1cc2ccccc2o1)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000217596512	568896569	/nfs/dbraw/zinc/89/65/69/568896569.db2.gz	CLDAKFYENNBMCU-QHCPKHFHSA-N	1	0	418.537	4.719	50	70		HJIARO