smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(CC3CCOCC3)c2)c(C)c1	ZINC000218247919	568836996	/nfs/dbraw/zinc/83/69/96/568836996.db2.gz	OHZBSJHFMMDNES-UHFFFAOYSA-N	0	1	406.508	2.767	50	70		HFIAMN
COC(=O)C[C@H](c1ccc(Cl)cc1Cl)c1c(O)c(C(=O)OC)c[nH]c1=O	ZINC000218568263	568481898	/nfs/dbraw/zinc/48/18/98/568481898.db2.gz	RUBUMNZTJZVXGU-SNVBAGLBSA-N	0	1	400.214	2.869	50	70		HFIAMN
O=C(Nc1cccc(-c2nnc[nH]2)c1)[C@@H]1CC(=O)N(c2cc(F)c(F)c(F)c2)C1	ZINC000218384687	568479608	/nfs/dbraw/zinc/47/96/08/568479608.db2.gz	JKQFYPBBLYUWGW-LLVKDONJSA-N	0	1	401.348	2.881	50	70		HFIAMN
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000217699153	568473551	/nfs/dbraw/zinc/47/35/51/568473551.db2.gz	MFWGSYNXWRPJDO-KCXPTXFHSA-N	0	1	407.857	2.771	50	70		HFIAMN
COc1ccccc1CCN1C[C@H](C(=O)Nc2cccc(-c3nnc[nH]3)c2)CC1=O	ZINC000218267111	568477113	/nfs/dbraw/zinc/47/71/13/568477113.db2.gz	DFXJCVAGFDHPTJ-QGZVFWFLSA-N	0	1	405.458	2.510	50	70		HFIAMN
COC(=O)C[C@@H](c1ccc(Cl)cc1Cl)c1c(O)c(C(=O)OC)c[nH]c1=O	ZINC000218568340	568481878	/nfs/dbraw/zinc/48/18/78/568481878.db2.gz	RUBUMNZTJZVXGU-JTQLQIEISA-N	0	1	400.214	2.869	50	70		HFIAMN
COCc1n[nH]c(-c2ccc(NC(=O)[C@@H](C)n3cnc4ccccc4c3=O)cc2)n1	ZINC000218604338	568482382	/nfs/dbraw/zinc/48/23/82/568482382.db2.gz	ZGHVTKWCRRIMOG-CYBMUJFWSA-N	0	1	404.430	2.528	50	70		HFIAMN
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1nnc(CCC2CCCC2)[nH]1	ZINC000218025507	569039116	/nfs/dbraw/zinc/03/91/16/569039116.db2.gz	RYAGRORJRNCXMB-ZQIUZPCESA-N	0	1	406.556	2.592	50	70	biogenic	HFIAMN
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1nc(CCC2CCCC2)n[nH]1	ZINC000218025507	569039117	/nfs/dbraw/zinc/03/91/17/569039117.db2.gz	RYAGRORJRNCXMB-ZQIUZPCESA-N	0	1	406.556	2.592	50	70	biogenic	HFIAMN
O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nnc(CCC2CCCC2)[nH]1	ZINC000218202940	568476222	/nfs/dbraw/zinc/47/62/22/568476222.db2.gz	QPCWDUPIMLKRGK-KRWDZBQOSA-N	0	1	424.505	2.767	50	70		HFIAMN
O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nc(CCC2CCCC2)n[nH]1	ZINC000218202940	568476223	/nfs/dbraw/zinc/47/62/23/568476223.db2.gz	QPCWDUPIMLKRGK-KRWDZBQOSA-N	0	1	424.505	2.767	50	70		HFIAMN
O=C(Nc1cccc(-c2nnc[nH]2)c1)[C@H]1CC(=O)N(c2cc(F)c(F)c(F)c2)C1	ZINC000218384786	568479641	/nfs/dbraw/zinc/47/96/41/568479641.db2.gz	JKQFYPBBLYUWGW-NSHDSACASA-N	0	1	401.348	2.881	50	70		HFIAMN
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000217699234	569039059	/nfs/dbraw/zinc/03/90/59/569039059.db2.gz	MFWGSYNXWRPJDO-FBAVSBLXSA-N	0	1	407.857	2.771	50	70		HFIAMN
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCCc1cnc[nH]1)C(=O)OC2	ZINC000217842106	568915876	/nfs/dbraw/zinc/91/58/76/568915876.db2.gz	ALEVTASLMSMTAJ-YIXHJXPBSA-N	0	1	413.474	2.731	50	70	biogenic	HFIAMN
COc1ccc(CCc2nc(NC(=O)c3cn(C)c(=O)c4ccccc34)n[nH]2)cc1	ZINC000218415081	568844074	/nfs/dbraw/zinc/84/40/74/568844074.db2.gz	DIIWNCOTSFOBPN-UHFFFAOYSA-N	0	1	403.442	2.703	50	70		HFIAMN
COc1ccc(CCc2n[nH]c(NC(=O)c3cn(C)c(=O)c4ccccc34)n2)cc1	ZINC000218415081	568844076	/nfs/dbraw/zinc/84/40/76/568844076.db2.gz	DIIWNCOTSFOBPN-UHFFFAOYSA-N	0	1	403.442	2.703	50	70		HFIAMN
COc1ccccc1CCN1C[C@@H](C(=O)Nc2cccc(-c3nnc[nH]3)c2)CC1=O	ZINC000218267161	568477048	/nfs/dbraw/zinc/47/70/48/568477048.db2.gz	DFXJCVAGFDHPTJ-KRWDZBQOSA-N	0	1	405.458	2.510	50	70		HFIAMN
CC(C)(C)OC(=O)N1CCN(Cc2oc(CN3CCCCCC3)cc(=O)c2O)CC1	ZINC000218391243	568479739	/nfs/dbraw/zinc/47/97/39/568479739.db2.gz	INSUNGZJXNWWFT-UHFFFAOYSA-N	0	1	421.538	2.774	50	70		HFIAMN
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000217699073	568473527	/nfs/dbraw/zinc/47/35/27/568473527.db2.gz	MFWGSYNXWRPJDO-SUWCGCSTSA-N	0	1	407.857	2.771	50	70		HFIAMN