smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000217699153	568473550	/nfs/dbraw/zinc/47/35/50/568473550.db2.gz	MFWGSYNXWRPJDO-KCXPTXFHSA-N	1	1	407.857	2.771	50	70		HFIAMO
Cc1sc2ncn(CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)c2c1C	ZINC000217740606	568909034	/nfs/dbraw/zinc/90/90/34/568909034.db2.gz	VIVLNZLLLPKUNC-DLBZAZTESA-N	1	1	402.564	2.846	50	70	biogenic	HFIAMO
COc1ccccc1N1CC[NH+](Cc2c([O-])c(C[NH+]3CCCCC3)coc2=O)CC1	ZINC000218520604	568879997	/nfs/dbraw/zinc/87/99/97/568879997.db2.gz	PSGZDAUQCWZDIX-UHFFFAOYSA-N	1	1	413.518	2.662	50	70		HFIAMO
COc1ccccc1N1CCN(Cc2oc(C[NH+]3CCCCC3)cc(=O)c2O)CC1	ZINC000218355756	568479028	/nfs/dbraw/zinc/47/90/28/568479028.db2.gz	ACSLOHRRVNXRRS-UHFFFAOYSA-N	1	1	413.518	2.662	50	70		HFIAMO
COC(=O)C[C@H](c1ccc2nccnc2c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000218273737	568477233	/nfs/dbraw/zinc/47/72/33/568477233.db2.gz	YALACDSCXNNFHM-QGZVFWFLSA-N	1	1	423.469	2.970	50	70		HFIAMO
COc1cc2c(cc1OC)-c1n[nH]c(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c1C2	ZINC000217956880	568921051	/nfs/dbraw/zinc/92/10/51/568921051.db2.gz	WPRZBWYTAKIREU-KBXCAEBGSA-N	1	1	410.518	2.992	50	70	biogenic	HFIAMO
COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217790035	568912055	/nfs/dbraw/zinc/91/20/55/568912055.db2.gz	ZSXYCGOPFBSZOV-INIZCTEOSA-N	1	1	417.458	2.741	50	70	biogenic	HFIAMO
CC(C)Oc1ccc2nnc(CCCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)n2n1	ZINC000217669143	568903806	/nfs/dbraw/zinc/90/38/06/568903806.db2.gz	UTZHZDDMODZSPY-ZWKOTPCHSA-N	1	1	414.554	2.615	50	70	biogenic	HFIAMO
COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217789950	568912159	/nfs/dbraw/zinc/91/21/59/568912159.db2.gz	ZSXYCGOPFBSZOV-MRXNPFEDSA-N	1	1	417.458	2.741	50	70	biogenic	HFIAMO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000217699234	569039058	/nfs/dbraw/zinc/03/90/58/569039058.db2.gz	MFWGSYNXWRPJDO-FBAVSBLXSA-N	1	1	407.857	2.771	50	70		HFIAMO
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(C[NH+]3CCCC3)o1)CC2	ZINC000217678576	568905089	/nfs/dbraw/zinc/90/50/89/568905089.db2.gz	SNFPCQIHJVVIML-UHFFFAOYSA-N	1	1	400.475	2.517	50	70	biogenic	HFIAMO
COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217650969	568901749	/nfs/dbraw/zinc/90/17/49/568901749.db2.gz	NHSRAKPSDJALQH-INIZCTEOSA-N	1	1	415.442	2.755	50	70	biogenic	HFIAMO
COc1cc2c(cc1OC)CN(Cc1oc(C[NH+]3CCCCC3)cc(=O)c1O)CC2	ZINC000217823888	568914818	/nfs/dbraw/zinc/91/48/18/568914818.db2.gz	GEWOKIKBGKTFNA-UHFFFAOYSA-N	1	1	414.502	2.907	50	70	biogenic	HFIAMO
COC(=O)C[C@@H](c1ccc2nccnc2c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000218273791	568477228	/nfs/dbraw/zinc/47/72/28/568477228.db2.gz	YALACDSCXNNFHM-KRWDZBQOSA-N	1	1	423.469	2.970	50	70		HFIAMO
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(C[NH+]3CCCCC3)o1)CC2	ZINC000217774817	568911347	/nfs/dbraw/zinc/91/13/47/568911347.db2.gz	CQBHMFRQXLCSLV-UHFFFAOYSA-N	1	1	414.502	2.907	50	70	biogenic	HFIAMO
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000217699073	568473526	/nfs/dbraw/zinc/47/35/26/568473526.db2.gz	MFWGSYNXWRPJDO-SUWCGCSTSA-N	1	1	407.857	2.771	50	70		HFIAMO
COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217650908	568901619	/nfs/dbraw/zinc/90/16/19/568901619.db2.gz	NHSRAKPSDJALQH-MRXNPFEDSA-N	1	1	415.442	2.755	50	70	biogenic	HFIAMO