smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([N-]c1cnn(CC2CCOCC2)c1)c1ccc2c(c1)OCCCO2	ZINC000218247672	570818420	/nfs/dbraw/zinc/81/84/20/570818420.db2.gz	QOISCCIFVYRDOH-UHFFFAOYSA-N	-1	0	393.465	2.272	50	70		GEIARM
CN1CCN([C@@H](c2sc3ncnn3c2[O-])c2cccc(OC(F)F)c2)CC1	ZINC000218433522	529775901	/nfs/dbraw/zinc/77/59/01/529775901.db2.gz	KDCQZUVGRXDVAK-CYBMUJFWSA-N	-1	0	395.435	2.435	50	70		GEIARM
Cc1noc(C)c1S(=O)(=O)[N-]c1cnn(C[C@H]2COc3ccccc3O2)c1	ZINC000218294986	570418812	/nfs/dbraw/zinc/41/88/12/570418812.db2.gz	JYIVBVWBTYJUMF-AWEZNQCLSA-N	-1	0	390.421	2.129	50	70		GEIARM
Cc1cc(N2CCN(C(=O)[C@H]3CCC[C@@H](O)C3)CC2)nc(-c2ccccc2[O-])n1	ZINC000218700679	136203807	/nfs/dbraw/zinc/20/38/07/136203807.db2.gz	VZIQBAHADMZAMT-DLBZAZTESA-N	-1	0	396.491	2.357	50	70		GEIARM
COC(=O)C[C@@H](c1ccc(F)c(Cl)c1)c1c([O-])c(C(=O)OC)c[nH]c1=O	ZINC000218607296	211761577	/nfs/dbraw/zinc/76/15/77/211761577.db2.gz	SPMMZZHQAOVDRT-VIFPVBQESA-N	-1	0	383.759	2.355	50	70		GEIARM
COC(=O)C[C@H](c1c(F)cccc1Cl)c1c([O-])c(C(=O)OC)c[nH]c1=O	ZINC000218472505	570335142	/nfs/dbraw/zinc/33/51/42/570335142.db2.gz	BGMHOCQUGZLVOS-MRVPVSSYSA-N	-1	0	383.759	2.355	50	70		GEIARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cnn(CC3CCOCC3)c2)cc1	ZINC000218240160	570817887	/nfs/dbraw/zinc/81/78/87/570817887.db2.gz	RDNBJBZZIXYTPO-UHFFFAOYSA-N	-1	0	378.454	2.069	50	70		GEIARM
COC(=O)C[C@@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c([O-])cc(C)oc1=O	ZINC000217952893	209185662	/nfs/dbraw/zinc/18/56/62/209185662.db2.gz	SULRFPXIKUPBNY-AWEZNQCLSA-N	-1	0	399.399	2.209	50	70		GEIARM
Cc1noc(C)c1S(=O)(=O)[N-]c1cnn(C[C@@H]2COc3ccccc3O2)c1	ZINC000218294932	570819677	/nfs/dbraw/zinc/81/96/77/570819677.db2.gz	JYIVBVWBTYJUMF-CQSZACIVSA-N	-1	0	390.421	2.129	50	70		GEIARM
COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CC3)c1c([O-])cc(C)oc1=O	ZINC000217940987	209184251	/nfs/dbraw/zinc/18/42/51/209184251.db2.gz	BRXZWHOSNBGRGY-AWEZNQCLSA-N	-1	0	381.384	2.220	50	70		GEIARM
COC(=O)C[C@@H](c1c(F)cccc1Cl)c1c([O-])c(C(=O)OC)c[nH]c1=O	ZINC000218472585	570335251	/nfs/dbraw/zinc/33/52/51/570335251.db2.gz	BGMHOCQUGZLVOS-QMMMGPOBSA-N	-1	0	383.759	2.355	50	70		GEIARM
COC(=O)C[C@@H](c1coc2ccc(OC)cc2c1=O)c1c([O-])cc(C)oc1=O	ZINC000218066667	212113158	/nfs/dbraw/zinc/11/31/58/212113158.db2.gz	ZRYJMNLCMCRBRP-LBPRGKRZSA-N	-1	0	386.356	2.464	50	70		GEIARM
COC(=O)C[C@H](c1ccc(F)c(Cl)c1)c1c([O-])c(C(=O)OC)c[nH]c1=O	ZINC000218607226	570337814	/nfs/dbraw/zinc/33/78/14/570337814.db2.gz	SPMMZZHQAOVDRT-SECBINFHSA-N	-1	0	383.759	2.355	50	70		GEIARM
CN1CCN([C@H](c2sc3ncnn3c2[O-])c2cccc(OC(F)F)c2)CC1	ZINC000218433595	529776415	/nfs/dbraw/zinc/77/64/15/529776415.db2.gz	KDCQZUVGRXDVAK-ZDUSSCGKSA-N	-1	0	395.435	2.435	50	70		GEIARM
COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1c([O-])cc(C)oc1=O	ZINC000218026285	212112747	/nfs/dbraw/zinc/11/27/47/212112747.db2.gz	BCSXJIXOFAWZGE-LBPRGKRZSA-N	-1	0	378.377	2.375	50	70		GEIARM
COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c([O-])cc(C)oc1=O	ZINC000217945368	212112804	/nfs/dbraw/zinc/11/28/04/212112804.db2.gz	CNXIYQMXJNGVGW-GFCCVEGCSA-N	-1	0	378.377	2.375	50	70		GEIARM
COC(=O)C[C@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c([O-])cc(C)oc1=O	ZINC000218088536	212113311	/nfs/dbraw/zinc/11/33/11/212113311.db2.gz	PFNOKGOWCAMELT-CYBMUJFWSA-N	-1	0	385.372	2.199	50	70		GEIARM
CC(C)[C@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)c1nc2ccccc2n1C(C)C	ZINC000218609186	570337659	/nfs/dbraw/zinc/33/76/59/570337659.db2.gz	YSCZOWXBCLDNLC-KRWDZBQOSA-N	-1	0	398.467	2.247	50	70		GEIARM