smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)O[C@H](Cc1ccc(OCCc2noc(-c3cccc(F)c3)n2)cc1)C(=O)[O-]	ZINC000026404911	581097801	/nfs/dbraw/zinc/09/78/01/581097801.db2.gz	CCIAKLNNTHBVOZ-LJQANCHMSA-N	-1	0	414.433	3.918	1	0		HHAFRM
C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C	ZINC000013547279	291256284	/nfs/dbraw/zinc/25/62/84/291256284.db2.gz	OEKUSRBIIZNLHZ-RZUBWJJUSA-N	-1	0	406.563	3.657	1	0	biogenic,in-vitro	HHAFRM
CC(C)O[C@@H](Cc1ccc(OCCc2noc(-c3cccc(F)c3)n2)cc1)C(=O)[O-]	ZINC000026404908	581097789	/nfs/dbraw/zinc/09/77/89/581097789.db2.gz	CCIAKLNNTHBVOZ-IBGZPJMESA-N	-1	0	414.433	3.918	1	0		HHAFRM
O=c1c(O)c(-c2ccc(O)c(Cc3ccccc3)c2)oc2cc([O-])cc(OCCO)c12	ZINC000085569463	291260066	/nfs/dbraw/zinc/26/00/66/291260066.db2.gz	NTOXBHZWUGROKX-UHFFFAOYSA-N	-1	0	420.417	3.539	1	0	biogenic,in-vitro	HHAFRM
COC(=O)[C@@]1(OC(C)=O)C[C@@]23C[C@@H]1CC[C@@H]2[C@@]1(C)CCC[C@](C)(C(=O)[O-])[C@@H]1CC3	ZINC000100779904	571832181	/nfs/dbraw/zinc/83/21/81/571832181.db2.gz	USYOOQFISINJLZ-UNQTUKOBSA-N	-1	0	406.519	3.959	1	0	endogenous,in-man	HHAFRM
Cc1oc(-c2ccccc2)nc1COc1ccc(CCC[C@@H]2OC(=O)[N-]C2=O)cn1	ZINC000003808334	581094391	/nfs/dbraw/zinc/09/43/91/581094391.db2.gz	WILGPPVZPAITOM-SFHVURJKSA-N	-1	0	407.426	3.582	1	0		HHAFRM
CC(C)C[C@H](NC(=O)c1ccc(NCc2c[nH]cn2)cc1-c1ccccc1)C(=O)[O-]	ZINC000013796728	581097887	/nfs/dbraw/zinc/09/78/87/581097887.db2.gz	KZMSAVPDHMHSQO-NRFANRHFSA-N	-1	0	406.486	3.918	1	0		HHAFRM
CC(C)Cc1cc(-c2oc3cc([O-])cc(OCCCO)c3c(=O)c2O)ccc1O	ZINC000085569478	291248416	/nfs/dbraw/zinc/24/84/16/291248416.db2.gz	SDLOLAHFJLSUKU-UHFFFAOYSA-N	-1	0	400.427	3.537	1	0	biogenic,in-vitro	HHAFRM
C[C@@H]1C[C@@H](C)[C@H]2N(C1)c1c(F)cccc1C[C@@]21C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000036056346	558797183	/nfs/dbraw/zinc/79/71/83/558797183.db2.gz	ONVIKMVYVZZACB-QNXVYPBWSA-N	-1	0	421.472	3.502	2	0		HHAFRM
C[C@H](C[C@H](C)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C	ZINC000014976909	560228092	/nfs/dbraw/zinc/22/80/92/560228092.db2.gz	XKZHNFLHDHLLRG-WKZZHUGKSA-N	-1	0	422.606	3.695	1	0	in-vitro	HHAFRM
CC(C)C[C@H](NC(=O)c1ccc(OCCn2ccnc2)cc1-c1ccccc1)C(=O)[O-]	ZINC000013796740	581098020	/nfs/dbraw/zinc/09/80/20/581098020.db2.gz	CNHFDLPFXKHRKU-QFIPXVFZSA-N	-1	0	421.497	3.858	1	0		HHAFRM
COC(=O)[C@]1(OC(C)=O)C[C@@]23C[C@@H]1CC[C@@H]2[C@@]1(C)CCC[C@](C)(C(=O)[O-])[C@@H]1CC3	ZINC000100779900	571832171	/nfs/dbraw/zinc/83/21/71/571832171.db2.gz	USYOOQFISINJLZ-XWCLCHQVSA-N	-1	0	406.519	3.959	1	0	endogenous,in-man	HHAFRM
COc1c([O-])cc2oc(-c3ccc(O)cc3)cc(=O)c2c1OCCC1(O)CCCC1	ZINC000085633005	291251985	/nfs/dbraw/zinc/25/19/85/291251985.db2.gz	LRRHVQVFDSFSRL-UHFFFAOYSA-N	-1	0	412.438	3.954	1	0	biogenic,in-vitro	HHAFRM
COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)[O-])c4)c3n2)cc(OC)c1OC	ZINC000036348741	581100209	/nfs/dbraw/zinc/10/02/09/581100209.db2.gz	JKYYSQBEHFFBDS-UHFFFAOYSA-N	-1	0	420.425	3.888	1	0		HHAFRM
O=C([O-])CCC/C=C\C[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1/C=C/C(F)(F)COc1ccccc1	ZINC000027644806	571741460	/nfs/dbraw/zinc/74/14/60/571741460.db2.gz	KIQXRQVVYTYYAZ-ZSIDKUPHSA-N	-1	0	410.457	3.816	1	0	endogenous,world	HHAFRM
O=C([O-])CCC/C=C\C[C@@H]1[C@@H](O)C[C@H](O)[C@H]1/C=C/C(F)(F)COc1ccccc1	ZINC000027644820	571741407	/nfs/dbraw/zinc/74/14/07/571741407.db2.gz	KIQXRQVVYTYYAZ-XGIWGQLSSA-N	-1	0	410.457	3.816	1	0	endogenous,world	HHAFRM
C[C@H]1C[C@H](C)[C@H]2N(C1)c1c(F)cccc1C[C@@]21C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000036056345	558797225	/nfs/dbraw/zinc/79/72/25/558797225.db2.gz	ONVIKMVYVZZACB-SSYPPQKQSA-N	-1	0	421.472	3.502	2	0		HHAFRM
O=C([O-])CCC/C=C\C[C@@H]1[C@H](O)C[C@H](O)[C@H]1/C=C/C(F)(F)COc1ccccc1	ZINC000027644813	571741509	/nfs/dbraw/zinc/74/15/09/571741509.db2.gz	KIQXRQVVYTYYAZ-PMDUONPBSA-N	-1	0	410.457	3.816	1	0	endogenous,world	HHAFRM
O=C([O-])CCC/C=C\C[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1/C=C/C(F)(F)COc1ccccc1	ZINC000230061301	574420281	/nfs/dbraw/zinc/42/02/81/574420281.db2.gz	KIQXRQVVYTYYAZ-RLFQWFCRSA-N	-1	0	410.457	3.816	1	0	endogenous,world	HHAFRM
C[C@@H]1C[C@H](C)CN2c3c(F)cccc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@@H]12	ZINC000036056347	558797216	/nfs/dbraw/zinc/79/72/16/558797216.db2.gz	ONVIKMVYVZZACB-JWGOKDHHSA-N	-1	0	421.472	3.502	2	0		HHAFRM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C	ZINC000012494011	574413008	/nfs/dbraw/zinc/41/30/08/574413008.db2.gz	OEKUSRBIIZNLHZ-ZHDFXGGTSA-N	-1	0	406.563	3.657	1	0	endogenous,in-man	HHAFRM
O=C([O-])CCC/C=C\C[C@@H]1[C@H](O)C[C@@H](O)[C@H]1/C=C/C(F)(F)COc1ccccc1	ZINC000027644800	571741245	/nfs/dbraw/zinc/74/12/45/571741245.db2.gz	KIQXRQVVYTYYAZ-SYPRLTHRSA-N	-1	0	410.457	3.816	1	0	endogenous,world	HHAFRM
CC(=O)Oc1c2c(ccn2N(C)C)c([O-])c(C(=O)c2ccccc2)c1N1CCCCC1	ZINC000001650087	132247396	/nfs/dbraw/zinc/24/73/96/132247396.db2.gz	OHKILEIVRQBSHW-UHFFFAOYSA-N	-1	0	421.497	3.691	1	0		HHAFRM
Cc1c(C(=O)C(N)=O)c2c(c3ccccc3cc2OCC(=O)[O-])n1CC1CCCCC1	ZINC000001553106	581093735	/nfs/dbraw/zinc/09/37/35/581093735.db2.gz	FUWNLMDBLUUNEH-UHFFFAOYSA-N	-1	0	422.481	3.815	1	0		HHAFRM
NC(=O)Cc1c2cc(OCCCC(=O)[O-])ccc2n(Cc2ccccc2)c1C1CC1	ZINC000013445855	581100813	/nfs/dbraw/zinc/10/08/13/581100813.db2.gz	LUUKCEZDPDWPHH-UHFFFAOYSA-N	-1	0	406.482	3.838	1	0		HHAFRM
Cc1oc(-c2ccccc2)nc1COc1ccc(CCC[C@H]2OC(=O)[N-]C2=O)cn1	ZINC000013905528	581094439	/nfs/dbraw/zinc/09/44/39/581094439.db2.gz	WILGPPVZPAITOM-GOSISDBHSA-N	-1	0	407.426	3.582	1	0		HHAFRM