smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000748418396	583119834	/nfs/dbraw/zinc/11/98/34/583119834.db2.gz	KOWUXFZRNXRSFM-UHFFFAOYSA-N	-2	3	327.322	-0.483	20	10		EBCDHL
O=C(NCCO)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21	ZINC001185541581	833361186	/nfs/dbraw/zinc/36/11/86/833361186.db2.gz	KUQZFNVDQURDGN-RXMQYKEDSA-N	-2	3	335.268	-0.312	20	10		EBCDHL
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@@H]2C(=O)[O-])c1	ZINC000833737968	584015773	/nfs/dbraw/zinc/01/57/73/584015773.db2.gz	OSYXCNQOOZZWNV-SNVBAGLBSA-N	-2	3	344.345	-0.311	20	10		EBCDHL
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@H]2C(=O)[O-])c1	ZINC000833737966	584015690	/nfs/dbraw/zinc/01/56/90/584015690.db2.gz	OSYXCNQOOZZWNV-JTQLQIEISA-N	-2	3	344.345	-0.311	20	10		EBCDHL
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2nc(=O)o[n-]2)c1	ZINC000790076097	583541610	/nfs/dbraw/zinc/54/16/10/583541610.db2.gz	AEZRTXGVOQWQGP-UHFFFAOYSA-N	-2	3	342.333	-0.588	20	10		EBCDHL
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC000738137917	582690210	/nfs/dbraw/zinc/69/02/10/582690210.db2.gz	AFRSZGIKMCDSMD-NSHDSACASA-N	-2	3	344.345	-0.311	20	10		EBCDHL
O=C([C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CC(=O)C1	ZINC001185547913	833361170	/nfs/dbraw/zinc/36/11/70/833361170.db2.gz	NPPBWJAVPICGNU-LURJTMIESA-N	-2	3	345.263	-0.009	20	10		EBCDHL
O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(O)c1[O-]	ZINC000388517914	972174339	/nfs/dbraw/zinc/17/43/39/972174339.db2.gz	IOOJLUPBTMZQRE-MRVPVSSYSA-N	-2	3	329.330	-0.188	20	10		EBCDHL
O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(O)c1[O-]	ZINC000388517916	972174218	/nfs/dbraw/zinc/17/42/18/972174218.db2.gz	IOOJLUPBTMZQRE-QMMMGPOBSA-N	-2	3	329.330	-0.188	20	10		EBCDHL
O=C(NCCO)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21	ZINC001185541582	833361085	/nfs/dbraw/zinc/36/10/85/833361085.db2.gz	KUQZFNVDQURDGN-YFKPBYRVSA-N	-2	3	335.268	-0.312	20	10		EBCDHL
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c1	ZINC000833737863	584015722	/nfs/dbraw/zinc/01/57/22/584015722.db2.gz	LMSBKZDCDCOJJU-ZDUSSCGKSA-N	-2	3	344.345	-0.263	20	10		EBCDHL
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@]2(C(=O)[O-])CCOC2)c1	ZINC000833737862	584015672	/nfs/dbraw/zinc/01/56/72/584015672.db2.gz	LMSBKZDCDCOJJU-CYBMUJFWSA-N	-2	3	344.345	-0.263	20	10		EBCDHL
CCO[N-]C(=O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000846493547	584126740	/nfs/dbraw/zinc/12/67/40/584126740.db2.gz	ATUMBZQRTOHLIL-UHFFFAOYSA-N	-2	3	331.350	-0.439	20	10		EBCDHL
COCC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)[O-]	ZINC001599216100	997584959	/nfs/dbraw/zinc/58/49/59/997584959.db2.gz	JCZWZTLDNRVFHT-JTQLQIEISA-N	-2	3	346.361	-0.017	20	10		EBCDHL
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000738137914	582690284	/nfs/dbraw/zinc/69/02/84/582690284.db2.gz	AFRSZGIKMCDSMD-LLVKDONJSA-N	-2	3	344.345	-0.311	20	10		EBCDHL
COCC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)[O-]	ZINC001599216101	997585314	/nfs/dbraw/zinc/58/53/14/997585314.db2.gz	JCZWZTLDNRVFHT-SNVBAGLBSA-N	-2	3	346.361	-0.017	20	10		EBCDHL
O=C(CN1C(=O)CSC1=S)NCCCCP(=O)([O-])[O-]	ZINC001144848161	830168453	/nfs/dbraw/zinc/16/84/53/830168453.db2.gz	DWMAFJPYRCGYDV-UHFFFAOYSA-N	-2	3	326.336	-0.079	20	10		EBCDHL
O=C([C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CC(=O)C1	ZINC001185547914	833360922	/nfs/dbraw/zinc/36/09/22/833360922.db2.gz	NPPBWJAVPICGNU-ZCFIWIBFSA-N	-2	3	345.263	-0.009	20	10		EBCDHL
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CN(C(=O)[O-])C2)c1	ZINC000829692292	583956936	/nfs/dbraw/zinc/95/69/36/583956936.db2.gz	ZXJZBCPHZJDSLC-UHFFFAOYSA-N	-2	3	329.334	-0.144	20	10		EBCDHL
COC[C@](C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)[O-]	ZINC000833721527	584015231	/nfs/dbraw/zinc/01/52/31/584015231.db2.gz	PCKFNBVDVSTGPM-ZDUSSCGKSA-N	-2	3	346.361	-0.017	20	10		EBCDHL
COCCN(CC(=O)[O-])C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000820718982	583778407	/nfs/dbraw/zinc/77/84/07/583778407.db2.gz	KLGXVIKMLKXWLM-UHFFFAOYSA-N	-2	3	346.361	-0.063	20	10		EBCDHL
COC[C@@](C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)[O-]	ZINC000833721525	584015261	/nfs/dbraw/zinc/01/52/61/584015261.db2.gz	PCKFNBVDVSTGPM-CYBMUJFWSA-N	-2	3	346.361	-0.017	20	10		EBCDHL
CN(Cc1ccccc1[O-])c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C	ZINC000825981512	583872689	/nfs/dbraw/zinc/87/26/89/583872689.db2.gz	UGVOOTMILXRAIW-UHFFFAOYSA-N	-2	3	343.347	-0.394	20	10		EBCDHL
CN(Cc1ccccc1[O-])c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000825981512	583872691	/nfs/dbraw/zinc/87/26/91/583872691.db2.gz	UGVOOTMILXRAIW-UHFFFAOYSA-N	-2	3	343.347	-0.394	20	10		EBCDHL
NC(=O)CNC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21	ZINC001185540541	833360963	/nfs/dbraw/zinc/36/09/63/833360963.db2.gz	ATYXHKALQXBGAY-SCSAIBSYSA-N	-2	3	348.267	-0.819	20	10		EBCDHL
NC(=O)CNC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21	ZINC001185540540	833361158	/nfs/dbraw/zinc/36/11/58/833361158.db2.gz	ATYXHKALQXBGAY-BYPYZUCNSA-N	-2	3	348.267	-0.819	20	10		EBCDHL