smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=P([O-])([O-])[C@H](NCCc1ccc(F)cc1)c1ccc(F)cc1	ZINC000012949462	207266770	/nfs/dbraw/zinc/26/67/70/207266770.db2.gz	HSIQGLWBBAULGH-HNNXBMFYSA-N	-2	3	327.267	2.973	40	0		EFABHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)cc4)c=3c2=O)c1	ZINC000101261261	301225534	/nfs/dbraw/zinc/22/55/34/301225534.db2.gz	XCYUTTDDGMZRKS-CVEARBPZSA-N	-2	3	338.342	2.940	40	0		EFABHL
C#CCOc1ccc(C=C(Sc2n[n-]c(CC)n2)C(=O)[O-])cc1	ZINC000007342555	471606576	/nfs/dbraw/zinc/60/65/76/471606576.db2.gz	ZREHOJPWNSCYCR-RAXLEYEMSA-N	-2	3	329.381	2.597	40	0		EFABHL
CCCc1nc(SC(=Cc2ccc(O)c(OC)c2)C(=O)[O-])n[n-]1	ZINC000007342280	471606895	/nfs/dbraw/zinc/60/68/95/471606895.db2.gz	AXPXWJBSJMRHJK-WQLSENKSSA-N	-2	3	335.385	2.689	40	0		EFABHL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]Cc2ccccc2Cl)c1	ZINC000008030017	471657499	/nfs/dbraw/zinc/65/74/99/471657499.db2.gz	HEBYYMQNGACEDN-UHFFFAOYSA-N	-2	3	343.763	2.656	40	0		EFABHL
CCCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-]	ZINC000016756514	471950204	/nfs/dbraw/zinc/95/02/04/471950204.db2.gz	AYWWEJFOCZLMAY-SNVBAGLBSA-N	-2	3	340.228	2.915	40	0		EFABHL
O=C([O-])c1cc(S(=O)(=O)[N-]C2CCCC2)c(Cl)cc1Cl	ZINC000013340928	304227263	/nfs/dbraw/zinc/22/72/63/304227263.db2.gz	QCZCYERUYZROJG-UHFFFAOYSA-N	-2	3	338.212	2.913	40	0		EFABHL
CCc1nc(SC(=Cc2cc(Cl)ccc2[O-])C(=O)[O-])n[nH]1	ZINC000007342387	471606674	/nfs/dbraw/zinc/60/66/74/471606674.db2.gz	WYISAUDHTGEKCX-POHAHGRESA-N	-2	3	325.777	2.944	40	0		EFABHL
CCCc1nc(SC(=Cc2ccc3c(c2)OCO3)C(=O)[O-])n[n-]1	ZINC000007342231	471607001	/nfs/dbraw/zinc/60/70/01/471607001.db2.gz	QXXBGMPPDCIVKB-GHXNOFRVSA-N	-2	3	333.369	2.704	40	0		EFABHL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)c1	ZINC000008030019	471657367	/nfs/dbraw/zinc/65/73/67/471657367.db2.gz	HYJHQXWIOJBHEY-UHFFFAOYSA-N	-2	3	343.763	2.656	40	0		EFABHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1Cl	ZINC000048567805	472889253	/nfs/dbraw/zinc/88/92/53/472889253.db2.gz	NJKFLVWIZSNJFX-UHFFFAOYSA-N	-2	3	329.736	2.978	40	0		EFABHL
Cc1nc(COc2ccc(Cl)cc2Cl)[n-]c(=O)c1CC(=O)[O-]	ZINC000217392822	241247348	/nfs/dbraw/zinc/24/73/48/241247348.db2.gz	VUKWDHYHGMVGKZ-UHFFFAOYSA-N	-2	3	343.166	2.591	40	0		EFABHL
CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1	ZINC000007053223	471588236	/nfs/dbraw/zinc/58/82/36/471588236.db2.gz	ADZWXRCJYVIVMR-UHFFFAOYSA-N	-2	3	339.344	2.723	40	0		EFABHL
CCCc1nc(SC(=Cc2cc(OC)ccc2OC)C(=O)[O-])n[n-]1	ZINC000007342239	471606954	/nfs/dbraw/zinc/60/69/54/471606954.db2.gz	BAMNYDUTBLSNJS-LCYFTJDESA-N	-2	3	349.412	2.992	40	0		EFABHL
O=P([O-])([O-])[C@@H](NCCc1ccc(F)cc1)c1ccc(F)cc1	ZINC000012949458	471807954	/nfs/dbraw/zinc/80/79/54/471807954.db2.gz	HSIQGLWBBAULGH-OAHLLOKOSA-N	-2	3	327.267	2.973	40	0		EFABHL
Cc1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)P(=O)([O-])[O-])cc1	ZINC000012997554	471811742	/nfs/dbraw/zinc/81/17/42/471811742.db2.gz	KDYDCEIPCLLFKU-QGZVFWFLSA-N	-2	3	349.323	2.732	40	0		EFABHL
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC000060554417	472667202	/nfs/dbraw/zinc/66/72/02/472667202.db2.gz	BPFWDJLSWRPVTA-UHFFFAOYSA-N	-2	3	341.772	2.848	40	0		EFABHL
Cc1cc(OCc2ncc(CCC(=O)[O-])c(=O)[n-]2)cc(C)c1Cl	ZINC000223443744	474185627	/nfs/dbraw/zinc/18/56/27/474185627.db2.gz	YWROSXPZDYGUMX-UHFFFAOYSA-N	-2	3	336.775	2.636	40	0		EFABHL
Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)cc1C(=O)[O-]	ZINC000358896394	476021095	/nfs/dbraw/zinc/02/10/95/476021095.db2.gz	LZVVZSNVGSYIDF-UHFFFAOYSA-N	-2	3	349.364	2.531	40	0		EFABHL
CC(C)n1ccc([N-]S(=O)(=O)c2cc([O-])cc(C(F)(F)F)c2)n1	ZINC000585140582	479298154	/nfs/dbraw/zinc/29/81/54/479298154.db2.gz	HDWRKFZYSOQRCM-UHFFFAOYSA-N	-2	3	349.334	2.989	40	0		EFABHL
COc1cc(-c2oc3cc([O-])cc([O-])c3c(=O)c2C)cc(OC)c1O	ZINC000168135334	544853880	/nfs/dbraw/zinc/85/38/80/544853880.db2.gz	QCPUWJOCLIKINF-UHFFFAOYSA-N	-2	3	344.319	2.902	40	0		EFABHL
N[C@H](c1nc(-c2cc(Br)ccc2[O-])n[n-]1)c1ccccc1	ZINC000095533438	473221726	/nfs/dbraw/zinc/22/17/26/473221726.db2.gz	ZDNIXHNGQRHALG-ZDUSSCGKSA-N	-2	3	345.200	2.988	40	0		EFABHL
CCCc1nc(SC(=Cc2cccc(OCC#N)c2)C(=O)[O-])n[n-]1	ZINC000007342327	471606833	/nfs/dbraw/zinc/60/68/33/471606833.db2.gz	VVLZOVUTDANGDK-RAXLEYEMSA-N	-2	3	344.396	2.877	40	0		EFABHL
CCOc1c(C=C(Sc2n[n-]c(CC)n2)C(=O)[O-])cccc1OC	ZINC000007342577	471607562	/nfs/dbraw/zinc/60/75/62/471607562.db2.gz	UREVSHYPSHPQJA-XFXZXTDPSA-N	-2	3	349.412	2.992	40	0		EFABHL
CCOc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1	ZINC000008104587	471661384	/nfs/dbraw/zinc/66/13/84/471661384.db2.gz	OSUPGIKEMHGCND-UHFFFAOYSA-N	-2	3	349.408	2.903	40	0		EFABHL
CCc1c([O-])nc(SCC(=O)Nc2ccc(C(C)C)cc2)[n-]c1=O	ZINC000013453639	471829513	/nfs/dbraw/zinc/82/95/13/471829513.db2.gz	KWTXIWBUIDDIHK-UHFFFAOYSA-N	-2	3	347.440	2.892	40	0		EFABHL
CCOc1cc(C=C2SC(=O)[N-]C2=O)cc(Br)c1[O-]	ZINC000033347580	471984792	/nfs/dbraw/zinc/98/47/92/471984792.db2.gz	PAIQMMLSXDZBKP-UITAMQMPSA-N	-2	3	344.186	2.877	40	0		EFABHL
O=C1[N-]C(=O)/C(=C/c2ccc([O-])c(Br)c2)c2ccccc21	ZINC000030058206	472313725	/nfs/dbraw/zinc/31/37/25/472313725.db2.gz	NJAGIKCTWFDLMC-KPKJPENVSA-N	-2	3	344.164	2.965	40	0		EFABHL
COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C(=O)[O-]	ZINC000047949000	472787173	/nfs/dbraw/zinc/78/71/73/472787173.db2.gz	JMLNNUIHGQSBCA-UHFFFAOYSA-N	-2	3	335.381	2.811	40	0		EFABHL
COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1C(=O)[O-]	ZINC000047949015	204337889	/nfs/dbraw/zinc/33/78/89/204337889.db2.gz	NXPIYKBYYVWISJ-UHFFFAOYSA-N	-2	3	335.381	2.811	40	0		EFABHL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1	ZINC000007409088	206523009	/nfs/dbraw/zinc/52/30/09/206523009.db2.gz	NFQMJVATVLAEAU-UHFFFAOYSA-N	-2	3	343.307	2.787	40	0		EFABHL
Fc1ccc(C([N-]c2nncs2)[N-]c2nncs2)cc1F	ZINC000001611375	471393525	/nfs/dbraw/zinc/39/35/25/471393525.db2.gz	RWTVCDBIMGHCRR-UHFFFAOYSA-N	-2	3	326.357	2.891	40	0		EFABHL
Fc1cccc(F)c1C([N-]c1nncs1)[N-]c1nncs1	ZINC000001612125	471395121	/nfs/dbraw/zinc/39/51/21/471395121.db2.gz	XIIOFDXBJQNSKF-UHFFFAOYSA-N	-2	3	326.357	2.891	40	0	in-vitro	EFABHL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1F	ZINC000007708515	471631912	/nfs/dbraw/zinc/63/19/12/471631912.db2.gz	XIHHBIINVKERON-UHFFFAOYSA-N	-2	3	327.308	2.772	40	0		EFABHL
COC(=O)c1ccc(Oc2coc3cc([O-])cc([O-])c3c2=O)cc1	ZINC000011865790	471760193	/nfs/dbraw/zinc/76/01/93/471760193.db2.gz	RSWLYEDHTIRNGO-UHFFFAOYSA-N	-2	3	328.276	2.783	40	0		EFABHL
Cc1cc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)[n-]c(=S)n1	ZINC000019141825	471977554	/nfs/dbraw/zinc/97/75/54/471977554.db2.gz	SNONYIXIVLFVNT-UHFFFAOYSA-N	-2	3	335.410	2.503	40	0		EFABHL
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1C	ZINC000033685198	471985938	/nfs/dbraw/zinc/98/59/38/471985938.db2.gz	KNLMZKQPNDPRQA-UHFFFAOYSA-N	-2	3	335.381	2.568	40	0		EFABHL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1	ZINC000059857042	472630351	/nfs/dbraw/zinc/63/03/51/472630351.db2.gz	OJULMIIXDOJKIL-UHFFFAOYSA-N	-2	3	341.335	2.783	40	0		EFABHL
Cc1oc2cc([O-])cc([O-])c2c(=O)c1-c1ccc2c(c1)OCCO2	ZINC000005730172	471519056	/nfs/dbraw/zinc/51/90/56/471519056.db2.gz	COAGEDGYSFPTAT-UHFFFAOYSA-N	-2	3	326.304	2.951	40	0	biogenic	EFABHL
C#CCOc1ccccc1C=C(Sc1n[n-]c(CCC)n1)C(=O)[O-]	ZINC000007342320	471606508	/nfs/dbraw/zinc/60/65/08/471606508.db2.gz	NOWKMOVABJUZCS-KAMYIIQDSA-N	-2	3	343.408	2.987	40	0		EFABHL
CCc1nc(SC(=Cc2cccc(OC)c2OC)C(=O)[O-])n[n-]1	ZINC000007342576	471606965	/nfs/dbraw/zinc/60/69/65/471606965.db2.gz	HLTAIAHHTGRFJW-FLIBITNWSA-N	-2	3	335.385	2.602	40	0		EFABHL
Cc1csc(CCN[C@@H](c2ccc(C)s2)P(=O)([O-])[O-])n1	ZINC000013004733	471812976	/nfs/dbraw/zinc/81/29/76/471812976.db2.gz	SFLVWTHODPYJDY-GFCCVEGCSA-N	-2	3	332.387	2.830	40	0		EFABHL
CC(C)(C)NC(=O)CSc1nc([O-])c(C2CCCCC2)c(=O)[n-]1	ZINC000013453914	471830733	/nfs/dbraw/zinc/83/07/33/471830733.db2.gz	GFNZFRGEJMGQEC-UHFFFAOYSA-N	-2	3	339.461	2.530	40	0		EFABHL
CC(C)c1c([O-])nc(SCC(=O)N[C@H](C)c2ccccc2)[n-]c1=O	ZINC000013453738	471831297	/nfs/dbraw/zinc/83/12/97/471831297.db2.gz	MEWWIWIWSCODKQ-LLVKDONJSA-N	-2	3	347.440	2.568	40	0		EFABHL
O=C(CSc1nc([O-])cc(=O)[n-]1)Nc1cccc(Cl)c1Cl	ZINC000013881326	471845463	/nfs/dbraw/zinc/84/54/63/471845463.db2.gz	UUYCTYBCGKPDQS-UHFFFAOYSA-N	-2	3	346.195	2.513	40	0		EFABHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC1CC1	ZINC000217637058	241264863	/nfs/dbraw/zinc/26/48/63/241264863.db2.gz	PMAJOENXJBVRNS-UHFFFAOYSA-N	-2	3	332.381	2.760	40	0		EFABHL
Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(F)c1	ZINC000013078609	471815843	/nfs/dbraw/zinc/81/58/43/471815843.db2.gz	UUCDNOWQLYIZIL-UHFFFAOYSA-N	-2	3	337.372	2.952	40	0		EFABHL
O=C([O-])CSc1nnc(-c2ccccc2[O-])n1Cc1ccccc1	ZINC000004167673	210138900	/nfs/dbraw/zinc/13/89/00/210138900.db2.gz	IFHAQIUDLZFKBV-UHFFFAOYSA-N	-2	3	341.392	2.876	40	0		EFABHL
COc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\[O-])cc1	ZINC000005045806	210372842	/nfs/dbraw/zinc/37/28/42/210372842.db2.gz	MICKFILEHZWQCP-ZPHPHTNESA-N	-2	3	326.308	2.689	40	0		EFABHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)ccc1F	ZINC000036385405	262513216	/nfs/dbraw/zinc/51/32/16/262513216.db2.gz	WWQJWDWHWWRPOJ-UHFFFAOYSA-N	-2	3	331.271	2.603	40	0		EFABHL
O=C([O-])c1cccc(NC(=S)[N-]C(=O)C(Cl)(Cl)Cl)c1	ZINC000000570124	471371413	/nfs/dbraw/zinc/37/14/13/471371413.db2.gz	NJYQENCFWHPHKW-UHFFFAOYSA-N	-2	3	341.603	2.568	40	0		EFABHL
CCc1nc(SC(=Cc2cc(OC)ccc2OC)C(=O)[O-])n[n-]1	ZINC000007342451	471606689	/nfs/dbraw/zinc/60/66/89/471606689.db2.gz	UORLVYPIDFIIBL-WQLSENKSSA-N	-2	3	335.385	2.602	40	0		EFABHL
Cc1csc(CCN[C@H](c2ccc(C)s2)P(=O)([O-])[O-])n1	ZINC000013004734	471812998	/nfs/dbraw/zinc/81/29/98/471812998.db2.gz	SFLVWTHODPYJDY-LBPRGKRZSA-N	-2	3	332.387	2.830	40	0		EFABHL
CCCc1[n-]c2nn(-c3ccc(OC)cc3)c([O-])c2c(=O)c1Cl	ZINC000017068721	471955361	/nfs/dbraw/zinc/95/53/61/471955361.db2.gz	UJSXGGZEJNNYLW-UHFFFAOYSA-N	-2	3	333.775	2.622	40	0		EFABHL
CCc1nc(SC(=Cc2ccc(Br)o2)C(=O)[O-])n[n-]1	ZINC000213396084	474134602	/nfs/dbraw/zinc/13/46/02/474134602.db2.gz	RAYMURWUTBZVKP-ALCCZGGFSA-N	-2	3	344.190	2.940	40	0		EFABHL
O=C([O-])CCc1cnc(COc2ccc(Cl)cc2Cl)[n-]c1=O	ZINC000223445081	474184782	/nfs/dbraw/zinc/18/47/82/474184782.db2.gz	BNTIUHRDMVTRRB-UHFFFAOYSA-N	-2	3	343.166	2.673	40	0		EFABHL
CCn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1C(=O)[O-]	ZINC000253393871	474733933	/nfs/dbraw/zinc/73/39/33/474733933.db2.gz	FGSIUJWOIWKJAF-UHFFFAOYSA-N	-2	3	346.767	2.800	40	0		EFABHL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2c(F)cccc2F)c1	ZINC000078353992	202390665	/nfs/dbraw/zinc/39/06/65/202390665.db2.gz	LZIVVKAPHJZTQN-UHFFFAOYSA-N	-2	3	331.271	2.603	40	0		EFABHL
Cc1nc(COc2c(Cl)cccc2Cl)[n-]c(=O)c1CC(=O)[O-]	ZINC000217391483	241245398	/nfs/dbraw/zinc/24/53/98/241245398.db2.gz	QXSQVNGBPODIKY-UHFFFAOYSA-N	-2	3	343.166	2.591	40	0		EFABHL
Fc1cccc(C([N-]c2nncs2)[N-]c2nncs2)c1F	ZINC000001612894	471394457	/nfs/dbraw/zinc/39/44/57/471394457.db2.gz	DDBXUIITUAAMQQ-UHFFFAOYSA-N	-2	3	326.357	2.891	40	0		EFABHL
COc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1	ZINC000005133521	471487253	/nfs/dbraw/zinc/48/72/53/471487253.db2.gz	WDOBXRUSIFPOQL-UHFFFAOYSA-N	-2	3	335.381	2.513	40	0		EFABHL
COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O)cc1OC	ZINC000006018683	471529991	/nfs/dbraw/zinc/52/99/91/471529991.db2.gz	MHALJYZRPGYQSI-UHFFFAOYSA-N	-2	3	330.292	2.594	40	0	endogenous,in-man	EFABHL
O=c1cc(COc2ccccc2)[n-]c2nn(-c3ccccc3)c([O-])c21	ZINC000008020704	471656159	/nfs/dbraw/zinc/65/61/59/471656159.db2.gz	GXESSLWUGPZYCF-UHFFFAOYSA-N	-2	3	333.347	2.586	40	0		EFABHL
CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1	ZINC000037133016	472009517	/nfs/dbraw/zinc/00/95/17/472009517.db2.gz	BBXCZLUFBYVFAS-UHFFFAOYSA-N	-2	3	335.381	2.893	40	0		EFABHL
O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000055315286	472167106	/nfs/dbraw/zinc/16/71/06/472167106.db2.gz	NDMKUNMOPWLTFE-UHFFFAOYSA-N	-2	3	325.364	2.833	40	0		EFABHL
CCCc1nc(SC(=Cc2ccc(C(=O)[O-])cc2)C(=O)[O-])n[n-]1	ZINC000213382387	474134244	/nfs/dbraw/zinc/13/42/44/474134244.db2.gz	CJMJKHRIPQVQAC-FLIBITNWSA-N	-3	3	333.369	2.673	40	0		EFABHL
Cc1cc(OCc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc(C)c1Cl	ZINC000217391184	241246304	/nfs/dbraw/zinc/24/63/04/241246304.db2.gz	BOHCUSCUKCSOAX-UHFFFAOYSA-N	-2	3	336.775	2.555	40	0		EFABHL
O=C([O-])c1ccc(NC(=S)[N-]C(=O)C(Cl)(Cl)Cl)cc1	ZINC000006615244	304248488	/nfs/dbraw/zinc/24/84/88/304248488.db2.gz	FMIKOJVWMCCVHI-UHFFFAOYSA-N	-2	3	341.603	2.568	40	0		EFABHL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1	ZINC000005134836	210396469	/nfs/dbraw/zinc/39/64/69/210396469.db2.gz	HXAYBGGJELSDFI-UHFFFAOYSA-N	-2	3	341.335	2.783	40	0		EFABHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)cc4)c=3c2=O)c1	ZINC000023125917	301225456	/nfs/dbraw/zinc/22/54/56/301225456.db2.gz	XCYUTTDDGMZRKS-JKSUJKDBSA-N	-2	3	338.342	2.940	40	0		EFABHL
N[C@@H](c1nc(-c2cc(Br)ccc2[O-])n[n-]1)c1ccccc1	ZINC000095533439	473222536	/nfs/dbraw/zinc/22/25/36/473222536.db2.gz	ZDNIXHNGQRHALG-CYBMUJFWSA-N	-2	3	345.200	2.988	40	0		EFABHL
CCc1nc(SC(=Cc2ccc(OC)c(OC)c2)C(=O)[O-])n[n-]1	ZINC000007342452	471607206	/nfs/dbraw/zinc/60/72/06/471607206.db2.gz	FETLQFSVSADEOM-WQLSENKSSA-N	-2	3	335.385	2.602	40	0		EFABHL
COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000007428350	471613560	/nfs/dbraw/zinc/61/35/60/471613560.db2.gz	DPYYQLBQRJRNQJ-UHFFFAOYSA-N	-2	3	341.772	2.848	40	0		EFABHL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F	ZINC000007708509	471632135	/nfs/dbraw/zinc/63/21/35/471632135.db2.gz	QALCEKMVSLQIFQ-UHFFFAOYSA-N	-2	3	345.298	2.911	40	0		EFABHL
Cc1ccccc1NC(=O)CSc1nc([O-])c(CC(C)C)c(=O)[n-]1	ZINC000008573191	471694098	/nfs/dbraw/zinc/69/40/98/471694098.db2.gz	OJVKUSNQNNDVMG-UHFFFAOYSA-N	-2	3	347.440	2.713	40	0		EFABHL
Cc1ccc(NC(=O)CSc2nc([O-])c(CC(C)C)c(=O)[n-]2)cc1	ZINC000013453794	471831217	/nfs/dbraw/zinc/83/12/17/471831217.db2.gz	RIVPCHUNKYHIMW-UHFFFAOYSA-N	-2	3	347.440	2.713	40	0		EFABHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)cc4)c=3c2=O)c1	ZINC000101261258	301225553	/nfs/dbraw/zinc/22/55/53/301225553.db2.gz	XCYUTTDDGMZRKS-HOTGVXAUSA-N	-2	3	338.342	2.940	40	0		EFABHL
O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000005942050	471526578	/nfs/dbraw/zinc/52/65/78/471526578.db2.gz	GDRDARPORHTJIG-UHFFFAOYSA-N	-2	3	341.772	2.604	40	0		EFABHL
CCOc1ccc(C=C(Sc2n[n-]c(CC)n2)C(=O)[O-])cc1OC	ZINC000007342458	471606982	/nfs/dbraw/zinc/60/69/82/471606982.db2.gz	JLLGIVWEZMWYIL-LCYFTJDESA-N	-2	3	349.412	2.992	40	0		EFABHL
CCOc1cc(C=C(Sc2n[n-]c(CC)n2)C(=O)[O-])ccc1OC	ZINC000007342456	471607167	/nfs/dbraw/zinc/60/71/67/471607167.db2.gz	DQVONTQZXKUJOP-LCYFTJDESA-N	-2	3	349.412	2.992	40	0		EFABHL
O=C([O-])c1ccc(NC(=O)c2ccc(N3CCCC3)cc2)c([O-])c1	ZINC000007383395	471610095	/nfs/dbraw/zinc/61/00/95/471610095.db2.gz	MGEHQAYCRJFPPE-UHFFFAOYSA-N	-2	3	326.352	2.943	40	0		EFABHL
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c(C)c1	ZINC000058377298	472557604	/nfs/dbraw/zinc/55/76/04/472557604.db2.gz	YXUOVNBPUOMRMM-UHFFFAOYSA-N	-2	3	349.408	2.876	40	0		EFABHL
COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1C(=O)[O-]	ZINC000047948957	472787195	/nfs/dbraw/zinc/78/71/95/472787195.db2.gz	NEVYRPLWMNCZSQ-UHFFFAOYSA-N	-2	3	335.381	2.811	40	0		EFABHL
CCc1nn(C)cc1[N-]S(=O)(=O)c1cc([O-])cc(C(F)(F)F)c1	ZINC000585141310	479298847	/nfs/dbraw/zinc/29/88/47/479298847.db2.gz	SYSXJHQXMFVESX-UHFFFAOYSA-N	-2	3	349.334	2.508	40	0		EFABHL
CCCCCCc1cccc(NC(=O)[C@@H](N)CCP(=O)([O-])[O-])c1	ZINC000038190874	213204594	/nfs/dbraw/zinc/20/45/94/213204594.db2.gz	FWJRVGZWNDOOFH-HNNXBMFYSA-N	-2	3	342.376	2.643	40	0	in-vitro	EFABHL
CCc1nc(SC(=Cc2ccc(OC)cc2OC)C(=O)[O-])n[n-]1	ZINC000007342449	471607263	/nfs/dbraw/zinc/60/72/63/471607263.db2.gz	ZXBRFDDRAASVQE-GHXNOFRVSA-N	-2	3	335.385	2.602	40	0		EFABHL
CCCc1nc(SC(=Cc2ccc(OC)cc2OC)C(=O)[O-])n[n-]1	ZINC000007342238	471607520	/nfs/dbraw/zinc/60/75/20/471607520.db2.gz	QCYMYEFOPKEERX-JYRVWZFOSA-N	-2	3	349.412	2.992	40	0		EFABHL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1F	ZINC000007708520	471632784	/nfs/dbraw/zinc/63/27/84/471632784.db2.gz	TYPIYBXRRHDXBM-UHFFFAOYSA-N	-2	3	327.308	2.772	40	0		EFABHL
COc1ccc([C@@H](NCc2cccc(OC)c2)P(=O)([O-])[O-])cc1	ZINC000012907583	471803791	/nfs/dbraw/zinc/80/37/91/471803791.db2.gz	BBKQLWXQNRJOMD-INIZCTEOSA-N	-2	3	337.312	2.670	40	0		EFABHL
COc1ccc([C@H](NCc2cccc(OC)c2)P(=O)([O-])[O-])cc1	ZINC000012907588	471804153	/nfs/dbraw/zinc/80/41/53/471804153.db2.gz	BBKQLWXQNRJOMD-MRXNPFEDSA-N	-2	3	337.312	2.670	40	0		EFABHL
Cc1ccc(CN[C@H](c2ccc3c(c2)OCCO3)P(=O)([O-])[O-])cc1	ZINC000012997555	471811806	/nfs/dbraw/zinc/81/18/06/471811806.db2.gz	KDYDCEIPCLLFKU-KRWDZBQOSA-N	-2	3	349.323	2.732	40	0		EFABHL
COc1cc([O-])c2c(=O)cc(-c3cc(OC)c([O-])c(OC)c3)oc2c1	ZINC000014644725	471876369	/nfs/dbraw/zinc/87/63/69/471876369.db2.gz	VIKKUMIXGIDYKY-UHFFFAOYSA-N	-2	3	344.319	2.897	40	0	in-vitro	EFABHL
COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1C(=O)[O-]	ZINC000047948953	472787608	/nfs/dbraw/zinc/78/76/08/472787608.db2.gz	DLPWMQHQJHCGHI-UHFFFAOYSA-N	-2	3	335.381	2.811	40	0		EFABHL
CCCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-]	ZINC000016756517	211933261	/nfs/dbraw/zinc/93/32/61/211933261.db2.gz	AYWWEJFOCZLMAY-JTQLQIEISA-N	-2	3	340.228	2.915	40	0		EFABHL
Fc1ccc(C([N-]c2nncs2)[N-]c2nncs2)c(F)c1	ZINC000001612123	471393500	/nfs/dbraw/zinc/39/35/00/471393500.db2.gz	PCOABBSUOGNFEI-UHFFFAOYSA-N	-2	3	326.357	2.891	40	0		EFABHL
COc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc2c(c1)OCO2	ZINC000006403319	471544469	/nfs/dbraw/zinc/54/44/69/471544469.db2.gz	BWGOSISPGLXOML-UHFFFAOYSA-N	-2	3	328.276	2.609	40	0		EFABHL
CCCc1nc(SC(=Cc2cccc(OC)c2OC)C(=O)[O-])n[n-]1	ZINC000007342346	471606612	/nfs/dbraw/zinc/60/66/12/471606612.db2.gz	GIJNNUOWXONXEM-XFXZXTDPSA-N	-2	3	349.412	2.992	40	0		EFABHL
C#CCOc1ccccc1C=C(Sc1n[n-]c(CC)n1)C(=O)[O-]	ZINC000007342544	471606921	/nfs/dbraw/zinc/60/69/21/471606921.db2.gz	QPUNQSMEGCWTLO-RAXLEYEMSA-N	-2	3	329.381	2.597	40	0		EFABHL
CCCc1nc(SC(=Cc2ccccc2OCC#N)C(=O)[O-])n[n-]1	ZINC000007342324	471607496	/nfs/dbraw/zinc/60/74/96/471607496.db2.gz	DWARDZGHQHPQTK-RAXLEYEMSA-N	-2	3	344.396	2.877	40	0		EFABHL
Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1C(=O)[O-]	ZINC000432771804	477260720	/nfs/dbraw/zinc/26/07/20/477260720.db2.gz	MQLSDTJEEQYMHT-UHFFFAOYSA-N	-2	3	334.397	2.560	40	0		EFABHL
COc1ccc(/C=C/C(=O)Nc2c([O-])cccc2C(=O)[O-])cc1OC	ZINC000035941986	213053447	/nfs/dbraw/zinc/05/34/47/213053447.db2.gz	HUBVPPBIEOCMIE-VQHVLOKHSA-N	-2	3	343.335	2.760	40	0	in-vitro	EFABHL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]CCC2=CCCCC2)c1	ZINC000217401907	241248524	/nfs/dbraw/zinc/24/85/24/241248524.db2.gz	UWZMHSMXSCSZRJ-UHFFFAOYSA-N	-2	3	327.377	2.693	40	0		EFABHL
CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)n[n-]1	ZINC000021096321	212206474	/nfs/dbraw/zinc/20/64/74/212206474.db2.gz	YHSPKOQWDGRMGS-UHFFFAOYSA-N	-2	3	337.401	2.511	40	0		EFABHL
Cc1nc(Cc2ccc(Cl)c(Cl)c2)[n-]c(=O)c1CC(=O)[O-]	ZINC000050038826	214041878	/nfs/dbraw/zinc/04/18/78/214041878.db2.gz	KHQRNXLZYNHJPV-UHFFFAOYSA-N	-2	3	327.167	2.603	40	0		EFABHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)cc4)c=3c2=O)c1	ZINC000101261264	301225391	/nfs/dbraw/zinc/22/53/91/301225391.db2.gz	XCYUTTDDGMZRKS-HZPDHXFCSA-N	-2	3	338.342	2.940	40	0		EFABHL
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1	ZINC000005392694	471503444	/nfs/dbraw/zinc/50/34/44/471503444.db2.gz	VLDLYXVTBONICC-UHFFFAOYSA-N	-2	3	335.381	2.811	40	0		EFABHL
CCCc1nc(SC(=Cc2cccc(OC)c2O)C(=O)[O-])n[n-]1	ZINC000007342345	471607285	/nfs/dbraw/zinc/60/72/85/471607285.db2.gz	GKUXMDHPWBYSRD-FLIBITNWSA-N	-2	3	335.385	2.689	40	0		EFABHL
CCCc1nc(SC(=Cc2ccc(OC)c(O)c2)C(=O)[O-])n[n-]1	ZINC000007342212	471607375	/nfs/dbraw/zinc/60/73/75/471607375.db2.gz	CNXHZEJEKXWEMG-WQLSENKSSA-N	-2	3	335.385	2.689	40	0		EFABHL
Cc1ccccc1NC(=O)CSc1nc([O-])c(C(C)C)c(=O)[n-]1	ZINC000008574797	471693848	/nfs/dbraw/zinc/69/38/48/471693848.db2.gz	UTCJAKWQKOGVBF-UHFFFAOYSA-N	-2	3	333.413	2.638	40	0		EFABHL
COc1ccc([C@H](NCc2ccccc2)P(=O)([O-])[O-])cc1F	ZINC000012997487	471811829	/nfs/dbraw/zinc/81/18/29/471811829.db2.gz	GSUCFPRHIVDNOZ-OAHLLOKOSA-N	-2	3	325.276	2.800	40	0		EFABHL
CC(C)c1c([O-])nc(SCC(=O)N[C@@H](C)c2ccccc2)[n-]c1=O	ZINC000013453733	471831031	/nfs/dbraw/zinc/83/10/31/471831031.db2.gz	MEWWIWIWSCODKQ-NSHDSACASA-N	-2	3	347.440	2.568	40	0		EFABHL
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000047318066	472689560	/nfs/dbraw/zinc/68/95/60/472689560.db2.gz	ISAVLPDPXHHSCM-UHFFFAOYSA-N	-2	3	341.772	2.848	40	0		EFABHL
O=C([O-])CCc1cnc(COc2c(Cl)cccc2Cl)[n-]c1=O	ZINC000223443971	474185240	/nfs/dbraw/zinc/18/52/40/474185240.db2.gz	OQBHYPFGYDHKJZ-UHFFFAOYSA-N	-2	3	343.166	2.673	40	0		EFABHL
COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])cc(Cl)c1[O-]	ZINC000209173015	545557870	/nfs/dbraw/zinc/55/78/70/545557870.db2.gz	XYUGTZZTJLXFFU-YHYXMXQVSA-N	-2	3	342.760	2.963	40	0		EFABHL
COc1cc(OC)c(-c2coc3cc([O-])cc([O-])c3c2=O)cc1OC	ZINC000004716528	210257888	/nfs/dbraw/zinc/25/78/88/210257888.db2.gz	JLYUMUHNYLUAKZ-UHFFFAOYSA-N	-2	3	344.319	2.897	40	0		EFABHL
O=C([O-])CCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000036961322	213126854	/nfs/dbraw/zinc/12/68/54/213126854.db2.gz	IPVHQZHYUQNLHU-UHFFFAOYSA-N	-2	3	340.228	2.917	40	0		EFABHL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1	ZINC000036437617	213098673	/nfs/dbraw/zinc/09/86/73/213098673.db2.gz	GOVVDDLNYMOGID-UHFFFAOYSA-N	-2	3	341.335	2.783	40	0		EFABHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CCCC1	ZINC000217638874	241264880	/nfs/dbraw/zinc/26/48/80/241264880.db2.gz	QDWXMPCCZUBLNC-UHFFFAOYSA-N	-2	3	346.408	2.786	40	0		EFABHL
O=C([O-])CN(Cc1ccco1)C(=O)c1ccc2[n-]c(Cl)nc2c1	ZINC000225982779	242083605	/nfs/dbraw/zinc/08/36/05/242083605.db2.gz	OWUVZADEOWMJMO-UHFFFAOYSA-N	-2	3	333.731	2.536	40	0		EFABHL
CC(C)n1c(CCNC(=O)c2cc(Cl)ccc2[O-])n[n-]c1=S	ZINC000078542968	217071389	/nfs/dbraw/zinc/07/13/89/217071389.db2.gz	KJVFXWWYLOPZHI-UHFFFAOYSA-N	-2	3	340.836	2.853	40	0		EFABHL
Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000005135071	210398384	/nfs/dbraw/zinc/39/83/84/210398384.db2.gz	KFUFZVNZXHAOLQ-UHFFFAOYSA-N	-2	3	337.372	2.952	40	0		EFABHL
O=C([O-])c1ccccc1NC(=S)[N-]C(=O)C(Cl)(Cl)Cl	ZINC000005927276	471525706	/nfs/dbraw/zinc/52/57/06/471525706.db2.gz	CUXLPYMBPNKKHC-UHFFFAOYSA-N	-2	3	341.603	2.568	40	0		EFABHL
C#CCOc1ccc(C=C(Sc2n[n-]c(CCC)n2)C(=O)[O-])cc1	ZINC000007342328	471606492	/nfs/dbraw/zinc/60/64/92/471606492.db2.gz	LBMDDLWYAKECBS-KAMYIIQDSA-N	-2	3	343.408	2.987	40	0		EFABHL
CCCc1nc(SC(=Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])n[n-]1	ZINC000007342247	471606540	/nfs/dbraw/zinc/60/65/40/471606540.db2.gz	IPDORZXSDZVTBS-FLIBITNWSA-N	-2	3	334.357	2.883	40	0		EFABHL
COc1ccc([C@@H](NCc2ccccc2)P(=O)([O-])[O-])cc1F	ZINC000012997485	471811687	/nfs/dbraw/zinc/81/16/87/471811687.db2.gz	GSUCFPRHIVDNOZ-HNNXBMFYSA-N	-2	3	325.276	2.800	40	0		EFABHL
CCc1nc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cn1CC1CC1	ZINC000663255652	482138810	/nfs/dbraw/zinc/13/88/10/482138810.db2.gz	GAHNACSINLJBBJ-UHFFFAOYSA-N	-2	3	339.392	2.501	40	0		EFABHL
O=C([O-])c1ccc(-n2cccc2/C=N/NC(=O)c2ccc([O-])cc2)cc1	ZINC000006971159	471581303	/nfs/dbraw/zinc/58/13/03/471581303.db2.gz	YZPAFMOWEYMQER-UDWIEESQSA-N	-2	3	349.346	2.645	40	0		EFABHL
CCCc1nc(SC(=Cc2ccc(C(=O)OC)cc2)C(=O)[O-])n[n-]1	ZINC000007342356	471606734	/nfs/dbraw/zinc/60/67/34/471606734.db2.gz	RZGUZZDHTORZRQ-XFXZXTDPSA-N	-2	3	347.396	2.762	40	0		EFABHL
CCCc1nc(SC(=Cc2ccc3c(c2)OCCO3)C(=O)[O-])n[n-]1	ZINC000007342269	471606783	/nfs/dbraw/zinc/60/67/83/471606783.db2.gz	CWRMTBPDLJQSPD-LCYFTJDESA-N	-2	3	347.396	2.746	40	0		EFABHL
CCCc1nc(SC(=Cc2ccc(OCC#N)cc2)C(=O)[O-])n[n-]1	ZINC000007342332	471606945	/nfs/dbraw/zinc/60/69/45/471606945.db2.gz	XJPPPXCQYFENHE-RAXLEYEMSA-N	-2	3	344.396	2.877	40	0		EFABHL
CCCc1nc(SC(=Cc2ccc(OC)c(OC)c2)C(=O)[O-])n[n-]1	ZINC000007342240	471607580	/nfs/dbraw/zinc/60/75/80/471607580.db2.gz	OKKUBKGANUCOCC-LCYFTJDESA-N	-2	3	349.412	2.992	40	0		EFABHL
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c(C)c1	ZINC000032585515	472443251	/nfs/dbraw/zinc/44/32/51/472443251.db2.gz	QFOWBGDCNSVPFX-UHFFFAOYSA-N	-2	3	335.381	2.568	40	0		EFABHL
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000032586623	472445557	/nfs/dbraw/zinc/44/55/57/472445557.db2.gz	QNGDPDGDBOYCJG-UHFFFAOYSA-N	-2	3	335.381	2.568	40	0		EFABHL
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1	ZINC000047080769	472651209	/nfs/dbraw/zinc/65/12/09/472651209.db2.gz	VSQVOJCDCATKGB-UHFFFAOYSA-N	-2	3	335.381	2.568	40	0		EFABHL
O=C([O-])c1ccc([O-])c(NC(=O)c2ccc(N3CCCC3)cc2)c1	ZINC000408675827	476970618	/nfs/dbraw/zinc/97/06/18/476970618.db2.gz	BMODYNZJXKPRGP-UHFFFAOYSA-N	-2	3	326.352	2.943	40	0		EFABHL