smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@@H]1CCC[C@H](C(=O)N[N-]C(=O)c2ccc(Cl)cc2F)C1	ZINC000833149478	601293470	/nfs/dbraw/zinc/29/34/70/601293470.db2.gz	RHSDCWXQGXNYPV-DTWKUNHWSA-N	-2	1	342.754	2.131	20	50		EEGDML
O=C([O-])[C@@]1(C(=O)N[N-]C(=O)c2ccc(Cl)cc2F)CC=CCC1	ZINC001594779139	953612640	/nfs/dbraw/zinc/61/26/40/953612640.db2.gz	JHULVEOCMFOXTG-HNNXBMFYSA-N	-2	1	340.738	2.051	20	50		EEGDML
O=C([O-])c1ccc(C(=O)N[N-]C(=O)c2ccc(Cl)cc2F)cc1	ZINC000821544432	955518015	/nfs/dbraw/zinc/51/80/15/955518015.db2.gz	QVIXMPFLGWRIME-UHFFFAOYSA-N	-2	1	336.706	2.252	20	50		EEGDML
O=C([O-])[C@]1(C(=O)N[N-]C(=O)c2ccc(Cl)cc2F)CC=CCC1	ZINC001594779140	953612780	/nfs/dbraw/zinc/61/27/80/953612780.db2.gz	JHULVEOCMFOXTG-OAHLLOKOSA-N	-2	1	340.738	2.051	20	50		EEGDML
O=C([O-])[C@H](C(=O)N[N-]C(=O)c1ccc(Cl)cc1F)C1CCCC1	ZINC001594779174	953613673	/nfs/dbraw/zinc/61/36/73/953613673.db2.gz	KQXGOYBDXXXQNO-LBPRGKRZSA-N	-2	1	342.754	2.131	20	50		EEGDML
O=C([O-])[C@@H](C(=O)N[N-]C(=O)c1ccc(Cl)cc1F)C1CCCC1	ZINC001594779173	953613554	/nfs/dbraw/zinc/61/35/54/953613554.db2.gz	KQXGOYBDXXXQNO-GFCCVEGCSA-N	-2	1	342.754	2.131	20	50		EEGDML
O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[N-]C(=O)c2ccc(Cl)cc2F)C1	ZINC000833149480	601293467	/nfs/dbraw/zinc/29/34/67/601293467.db2.gz	RHSDCWXQGXNYPV-RKDXNWHRSA-N	-2	1	342.754	2.131	20	50		EEGDML
O=C([O-])c1cccc(C(=O)N[N-]C(=O)c2ccc(Cl)cc2F)c1	ZINC000821549441	955517840	/nfs/dbraw/zinc/51/78/40/955517840.db2.gz	CCELZCNPQOXPED-UHFFFAOYSA-N	-2	1	336.706	2.252	20	50		EEGDML
Cc1csc(C(=O)[N-]NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1	ZINC001574412646	961303188	/nfs/dbraw/zinc/30/31/88/961303188.db2.gz	PRKNNXKJVZFZML-NSHDSACASA-N	-2	1	341.433	2.138	20	50		EEGDML
O=C([O-])c1cccc(NC(=O)NNC(=O)c2cc(Cl)ccc2[O-])c1	ZINC001594782678	953647063	/nfs/dbraw/zinc/64/70/63/953647063.db2.gz	FTYRFLLYBWLADQ-UHFFFAOYSA-N	-2	1	349.730	2.210	20	50		EEGDML
O=C([O-])CC1(C(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)CCC1	ZINC001574671497	962553733	/nfs/dbraw/zinc/55/37/33/962553733.db2.gz	LHDBBBZIZLISFU-UHFFFAOYSA-N	-2	1	345.182	2.399	20	50		EEGDML
O=C([O-])[C@@H]1CC[C@H](C(=O)N[N-]C(=O)c2c(Cl)cccc2Cl)C1	ZINC001594783031	953651614	/nfs/dbraw/zinc/65/16/14/953651614.db2.gz	RYTWMWODJOBFGT-JGVFFNPUSA-N	-2	1	345.182	2.255	20	50		EEGDML
O=C([O-])c1cccnc1NNC(=O)c1ccc(C(F)(F)F)cc1[O-]	ZINC001594781180	953630382	/nfs/dbraw/zinc/63/03/82/953630382.db2.gz	IRJYVUDAMCHKNS-UHFFFAOYSA-N	-2	1	341.245	2.261	20	50		EEGDML
CC(C)[C@H](NC(=O)[O-])C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC000736373225	978323680	/nfs/dbraw/zinc/32/36/80/978323680.db2.gz	BKAPZVCBMHORAL-JTQLQIEISA-N	-2	1	348.186	2.047	20	50		EEGDML
C=C(CCC(=O)[O-])C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC001588630556	983744994	/nfs/dbraw/zinc/74/49/94/983744994.db2.gz	QXEIXJYBRLHRSR-UHFFFAOYSA-N	-2	1	331.155	2.175	20	50		EEGDML
Cc1cc(C(=O)[O-])cc(C(=O)NNC(=O)c2cc(Cl)ccc2[O-])c1	ZINC001574317928	960796712	/nfs/dbraw/zinc/79/67/12/960796712.db2.gz	BPEWACDAHWILAD-UHFFFAOYSA-N	-2	1	348.742	2.127	20	50		EEGDML
O=C([O-])[C@H]1CCC[C@H](C(=O)N[N-]C(=O)c2ccc(Cl)cc2F)C1	ZINC000833149479	601293655	/nfs/dbraw/zinc/29/36/55/601293655.db2.gz	RHSDCWXQGXNYPV-IUCAKERBSA-N	-2	1	342.754	2.131	20	50		EEGDML
C[C@H](CC(=O)[O-])CC(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC001592391789	977939333	/nfs/dbraw/zinc/93/93/33/977939333.db2.gz	QCDUYIOBCOULDA-ZETCQYMHSA-N	-2	1	333.171	2.255	20	50		EEGDML
O=C([O-])c1cccnc1NNC(=O)c1ccc2ccc(O)cc2c1[O-]	ZINC001595262347	949687943	/nfs/dbraw/zinc/68/79/43/949687943.db2.gz	ZTDGLLKOEJBGRU-UHFFFAOYSA-N	-2	1	339.307	2.101	20	50		EEGDML
Cc1csc(C(=O)[N-]NC(=O)Nc2cccc(CC(=O)[O-])c2)c1	ZINC001605380902	973339766	/nfs/dbraw/zinc/33/97/66/973339766.db2.gz	GKXWMJBZJJRRFT-UHFFFAOYSA-N	-2	1	333.369	2.150	20	50		EEGDML
CN(CCCC(=O)N[N-]C(=O)c1c(Cl)cccc1Cl)C(=O)[O-]	ZINC000737426303	978406378	/nfs/dbraw/zinc/40/63/78/978406378.db2.gz	BZIHNESEZARBPW-UHFFFAOYSA-N	-2	1	348.186	2.144	20	50		EEGDML
C[C@@H](CC(=O)[O-])CC(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC001592391788	977939745	/nfs/dbraw/zinc/93/97/45/977939745.db2.gz	QCDUYIOBCOULDA-SSDOTTSWSA-N	-2	1	333.171	2.255	20	50		EEGDML
O=C([O-])CCCCCNC(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000819401288	955444896	/nfs/dbraw/zinc/44/48/96/955444896.db2.gz	WEOZXHZLBXRTSM-UHFFFAOYSA-N	-2	1	345.758	2.068	20	50		EEGDML
Cn1cc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1C(=O)[O-]	ZINC000833052582	601783791	/nfs/dbraw/zinc/78/37/91/601783791.db2.gz	BNKKICQGMCOHFI-UHFFFAOYSA-N	-2	1	342.804	2.305	20	50		EEGDML
C[C@H](NC(=O)NN=c1[n-]cc(F)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000848592619	955765822	/nfs/dbraw/zinc/76/58/22/955765822.db2.gz	WDYADUDSDDKCKF-UJNFCWOMSA-N	-2	1	342.346	2.121	20	50		EEGDML
C[C@@H](NC(=O)NN=c1[n-]cc(F)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000848592537	955766654	/nfs/dbraw/zinc/76/66/54/955766654.db2.gz	WDYADUDSDDKCKF-FKTZTGRPSA-N	-2	1	342.346	2.121	20	50		EEGDML
Cc1csc(C(=O)[N-]NC(=O)Nc2ccc(C(=O)[O-])cc2F)c1	ZINC001594435381	959221748	/nfs/dbraw/zinc/22/17/48/959221748.db2.gz	FFKBRUPGEDJBNU-UHFFFAOYSA-N	-2	1	337.332	2.360	20	50		EEGDML
CC(C)[C@H](C(=O)[O-])C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC001602970529	971976587	/nfs/dbraw/zinc/97/65/87/971976587.db2.gz	XKYMIBOUNRQHSA-VIFPVBQESA-N	-2	1	333.171	2.111	20	50		EEGDML
O=C([O-])Nc1cccc(C(=O)NNC(=O)c2cc(Cl)ccc2[O-])c1	ZINC000740033284	978664094	/nfs/dbraw/zinc/66/40/94/978664094.db2.gz	JRLAMLZXLYJPGJ-UHFFFAOYSA-N	-2	1	349.730	2.210	20	50		EEGDML
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)[N-]NC(=O)[O-]	ZINC000738380365	978531198	/nfs/dbraw/zinc/53/11/98/978531198.db2.gz	XZVSAPXXEQBNDD-UHFFFAOYSA-N	-2	1	343.170	2.459	20	50		EEGDML
C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)c1cc(Cl)ccc1[O-]	ZINC000833407567	605039049	/nfs/dbraw/zinc/03/90/49/605039049.db2.gz	SUOOKPMCWQVOJT-SECBINFHSA-N	-2	1	335.747	2.257	20	50		EEGDML
O=C([O-])c1ccc(O)c(C=NNC(=O)c2cc(Cl)ccc2[O-])c1	ZINC000740155347	978670808	/nfs/dbraw/zinc/67/08/08/978670808.db2.gz	SARJYZJMPFOBCV-UHFFFAOYSA-N	-2	1	334.715	2.213	20	50		EEGDML
C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)c1cc(Cl)ccc1[O-]	ZINC000833407568	605039209	/nfs/dbraw/zinc/03/92/09/605039209.db2.gz	SUOOKPMCWQVOJT-VIFPVBQESA-N	-2	1	335.747	2.257	20	50		EEGDML
CC(C)(CC(=O)[O-])CC(=O)NNC(=O)c1cc2ccccc2cc1[O-]	ZINC000833454678	605678924	/nfs/dbraw/zinc/67/89/24/605678924.db2.gz	RYZFFRWJARJFQB-UHFFFAOYSA-N	-2	1	344.367	2.197	20	50		EEGDML
O=C([O-])c1ccccc1NC(=O)NNC(=O)c1cc(Cl)ccc1[O-]	ZINC001594783250	953654339	/nfs/dbraw/zinc/65/43/39/953654339.db2.gz	XLVXERPFZYXZMF-UHFFFAOYSA-N	-2	1	349.730	2.210	20	50		EEGDML
O=C([O-])c1ccc(C(=O)N[N-]C(=O)c2ccc(Cl)cc2F)s1	ZINC000833311420	601293523	/nfs/dbraw/zinc/29/35/23/601293523.db2.gz	MOEYQTYRFHZESV-UHFFFAOYSA-N	-2	1	342.735	2.314	20	50		EEGDML
O=C([O-])[C@H]1CCC[C@@H](C(=O)N[N-]C(=O)c2ccc(Cl)cc2F)C1	ZINC000833149477	601293594	/nfs/dbraw/zinc/29/35/94/601293594.db2.gz	RHSDCWXQGXNYPV-BDAKNGLRSA-N	-2	1	342.754	2.131	20	50		EEGDML
CC(C)(CC(=O)[O-])CC(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000833454975	605111099	/nfs/dbraw/zinc/11/10/99/605111099.db2.gz	ZGRXTRKHBSDSGX-UHFFFAOYSA-N	-2	1	330.743	2.131	20	50		EEGDML
Cc1c(C(=O)[O-])cc(C=NNC(=O)c2cc(Cl)ccc2[O-])n1C	ZINC001599984536	986211561	/nfs/dbraw/zinc/21/15/61/986211561.db2.gz	PBBCYSAWEZOPHW-UHFFFAOYSA-N	-2	1	335.747	2.155	20	50		EEGDML
CC(C)[C@@H](NC(=O)[O-])C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC000736373227	978323664	/nfs/dbraw/zinc/32/36/64/978323664.db2.gz	BKAPZVCBMHORAL-SNVBAGLBSA-N	-2	1	348.186	2.047	20	50		EEGDML
CC(C)[C@@H](C(=O)[O-])C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl	ZINC001602970528	971976191	/nfs/dbraw/zinc/97/61/91/971976191.db2.gz	XKYMIBOUNRQHSA-SECBINFHSA-N	-2	1	333.171	2.111	20	50		EEGDML