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-])c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccc2F)c1	ZINC000009065517	526390605	/nfs/dbraw/zinc/39/06/05/526390605.db2.gz	PJGQIYAJGYQEKK-YDJIHCHBSA-N	-2	1	496.288	4.913	50	30		JJEAML
O=C([O-])c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)c1	ZINC000013193289	555369174	/nfs/dbraw/zinc/36/91/74/555369174.db2.gz	YYGXIAMDNODGAK-FQEVSTJZSA-N	-2	1	478.298	4.930	50	30		JJEAML
O=C([O-])c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000101069920	569781130	/nfs/dbraw/zinc/78/11/30/569781130.db2.gz	VKCMLEKCYRZIHD-YDJIHCHBSA-N	-2	1	478.298	4.774	50	30		JJEAML
O=C([O-])c1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C([O-])C(=O)N1c1nccs1	ZINC000023983448	556111483	/nfs/dbraw/zinc/11/14/83/556111483.db2.gz	CQZXJYUNRRXYMD-INIZCTEOSA-N	-2	1	475.309	4.931	50	30		JJEAML
N#C[C@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1Cl	ZINC000013078864	556278459	/nfs/dbraw/zinc/27/84/59/556278459.db2.gz	OEGRTIQUNQLOEL-OAQYLSRUSA-N	-2	1	454.935	4.813	50	30		JJEAML
O=C([O-])c1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(F)cc3)sc2c1	ZINC000013194924	555369188	/nfs/dbraw/zinc/36/91/88/555369188.db2.gz	RQMAXKRPJOYVLK-GOSISDBHSA-N	-2	1	480.498	4.978	50	30		JJEAML
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccc(C(=O)[O-])c2)cc1	ZINC000020101217	555634140	/nfs/dbraw/zinc/63/41/40/555634140.db2.gz	KCYBVIPGIYRKRJ-OAQYLSRUSA-N	-2	1	463.873	4.830	50	30		JJEAML
O=C([O-])c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccc2)c1	ZINC000101062652	569780902	/nfs/dbraw/zinc/78/09/02/569780902.db2.gz	AOUVQWMUDOYRHQ-YDJIHCHBSA-N	-2	1	478.298	4.774	50	30		JJEAML
O=C([O-])c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009018934	526373043	/nfs/dbraw/zinc/37/30/43/526373043.db2.gz	ZWRJZEJXDUOXAX-FQEVSTJZSA-N	-2	1	478.298	4.930	50	30		JJEAML
[O-]C(c1cc(C([O-])(C(F)(F)F)C(F)(F)F)c2cccnc2c1O)(C(F)(F)F)C(F)(F)F	ZINC000095537676	569726080	/nfs/dbraw/zinc/72/60/80/569726080.db2.gz	BKWITKXCWFFCPK-UHFFFAOYSA-N	-2	1	477.201	4.565	50	30		JJEAML
O=C([O-])c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)c1	ZINC000013193291	555369200	/nfs/dbraw/zinc/36/92/00/555369200.db2.gz	YYGXIAMDNODGAK-HXUWFJFHSA-N	-2	1	478.298	4.930	50	30		JJEAML
O=C([O-])c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccccc2)c1	ZINC000101062653	569780930	/nfs/dbraw/zinc/78/09/30/569780930.db2.gz	AOUVQWMUDOYRHQ-NHFXJNLRSA-N	-2	1	478.298	4.774	50	30		JJEAML
O=C([O-])c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009019854	526373265	/nfs/dbraw/zinc/37/32/65/526373265.db2.gz	ZWRJZEJXDUOXAX-HXUWFJFHSA-N	-2	1	478.298	4.930	50	30		JJEAML
COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(OCC(=O)[O-])cc2)c1	ZINC000008856528	554752491	/nfs/dbraw/zinc/75/24/91/554752491.db2.gz	PXRKJYMTAKRFJV-HSZRJFAPSA-N	-2	1	493.899	4.595	50	30		JJEAML
O=C([O-])Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2cc(Br)cs2)cc1	ZINC000013194505	555369212	/nfs/dbraw/zinc/36/92/12/555369212.db2.gz	NXHWMAMYJRYZTM-HXUWFJFHSA-N	-2	1	498.354	4.921	50	30		JJEAML
O=C([O-])Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cc(Br)cs2)cc1	ZINC000013194505	555369213	/nfs/dbraw/zinc/36/92/13/555369213.db2.gz	NXHWMAMYJRYZTM-HXUWFJFHSA-N	-2	1	498.354	4.921	50	30		JJEAML
O=C([O-])c1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)=C([O-])C(=O)N1c1nccs1	ZINC000023983451	556111352	/nfs/dbraw/zinc/11/13/52/556111352.db2.gz	CQZXJYUNRRXYMD-MRXNPFEDSA-N	-2	1	475.309	4.931	50	30		JJEAML
O=C([O-])COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(F)c2)cc1	ZINC000004397270	527616947	/nfs/dbraw/zinc/61/69/47/527616947.db2.gz	PVNMTHZSBPPCFB-QFIPXVFZSA-N	-2	1	481.863	4.725	50	30		JJEAML
O=C([O-])Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cc(Br)cs2)cc1	ZINC000013194503	555369146	/nfs/dbraw/zinc/36/91/46/555369146.db2.gz	NXHWMAMYJRYZTM-FQEVSTJZSA-N	-2	1	498.354	4.921	50	30		JJEAML
O=C([O-])Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cc(Br)cs2)cc1	ZINC000013194503	555369147	/nfs/dbraw/zinc/36/91/47/555369147.db2.gz	NXHWMAMYJRYZTM-FQEVSTJZSA-N	-2	1	498.354	4.921	50	30		JJEAML
O=C([O-])c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccccc2F)c1	ZINC000009065519	526390484	/nfs/dbraw/zinc/39/04/84/526390484.db2.gz	PJGQIYAJGYQEKK-NHFXJNLRSA-N	-2	1	496.288	4.913	50	30		JJEAML
O=C([O-])COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(F)c2)cc1	ZINC000008846460	554744880	/nfs/dbraw/zinc/74/48/80/554744880.db2.gz	PVNMTHZSBPPCFB-JOCHJYFZSA-N	-2	1	481.863	4.725	50	30		JJEAML
COc1ccc(-c2cnc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccccc4[O-])c3=O)s2)cc1	ZINC000008952219	554835499	/nfs/dbraw/zinc/83/54/99/554835499.db2.gz	XHHKJSHNFXXGMP-NFFVHWSESA-N	-2	1	469.526	4.743	50	30		JJEAML
O=C([O-])c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)c1	ZINC000101069937	569781078	/nfs/dbraw/zinc/78/10/78/569781078.db2.gz	OHPSVSXAAPIODG-NHFXJNLRSA-N	-2	1	478.298	4.774	50	30		JJEAML
COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccccc4[O-])c3=O)n2)cc1	ZINC000009553391	555349703	/nfs/dbraw/zinc/34/97/03/555349703.db2.gz	PFYJWBKSQIPGQF-WEMUOSSPSA-N	-2	1	469.526	4.743	50	30		JJEAML
COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(OCC(=O)[O-])cc2)c1	ZINC000008857196	554753631	/nfs/dbraw/zinc/75/36/31/554753631.db2.gz	PXRKJYMTAKRFJV-QHCPKHFHSA-N	-2	1	493.899	4.595	50	30		JJEAML
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccc(C(=O)[O-])c2)cc1	ZINC000009436121	525213285	/nfs/dbraw/zinc/21/32/85/525213285.db2.gz	WMUHWCBLAKKHDY-JBCNATCCSA-N	-2	1	463.873	4.673	50	30		JJEAML
O=C([O-])c1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(F)cc3)sc2c1	ZINC000013194923	555369141	/nfs/dbraw/zinc/36/91/41/555369141.db2.gz	RQMAXKRPJOYVLK-SFHVURJKSA-N	-2	1	480.498	4.978	50	30		JJEAML
O=C([O-])c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccc2)c1	ZINC000020029464	555604890	/nfs/dbraw/zinc/60/48/90/555604890.db2.gz	LYLPSWCTMISEED-HXUWFJFHSA-N	-2	1	478.298	4.930	50	30		JJEAML
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccc(C(=O)[O-])c2)cc1	ZINC000104049195	569840138	/nfs/dbraw/zinc/84/01/38/569840138.db2.gz	WMUHWCBLAKKHDY-MRJHHRETSA-N	-2	1	463.873	4.673	50	30		JJEAML
O=C([O-])c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccccc2)c1	ZINC000020029462	555604878	/nfs/dbraw/zinc/60/48/78/555604878.db2.gz	LYLPSWCTMISEED-FQEVSTJZSA-N	-2	1	478.298	4.930	50	30		JJEAML
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccc(C(=O)[O-])c2)cc1	ZINC000020101214	555634105	/nfs/dbraw/zinc/63/41/05/555634105.db2.gz	KCYBVIPGIYRKRJ-NRFANRHFSA-N	-2	1	463.873	4.830	50	30		JJEAML
N#C[C@@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1Cl	ZINC000013078863	556278429	/nfs/dbraw/zinc/27/84/29/556278429.db2.gz	OEGRTIQUNQLOEL-NRFANRHFSA-N	-2	1	454.935	4.813	50	30		JJEAML
O=C([O-])c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000101069918	569781056	/nfs/dbraw/zinc/78/10/56/569781056.db2.gz	VKCMLEKCYRZIHD-NHFXJNLRSA-N	-2	1	478.298	4.774	50	30		JJEAML
O=C([O-])c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)c1	ZINC000101069938	569781121	/nfs/dbraw/zinc/78/11/21/569781121.db2.gz	OHPSVSXAAPIODG-YDJIHCHBSA-N	-2	1	478.298	4.774	50	30		JJEAML