smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1cccnc1NC(=S)NCC1(c2cccc(Cl)c2)CCCCC1	ZINC000224002518	206010371	/nfs/dbraw/zinc/01/03/71/206010371.db2.gz	OERJRJDSPMVAJU-UHFFFAOYSA-N	-1	3	375.925	4.629	40	0		GJABHM
CC[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(Cl)c(C)c1)N2	ZINC000409183020	529266687	/nfs/dbraw/zinc/26/66/87/529266687.db2.gz	RJMZRRHAKNHWPS-ZUCKAHLUSA-N	-1	3	388.817	4.537	40	0		GJABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)c(C)c1C	ZINC000223523046	570469488	/nfs/dbraw/zinc/46/94/88/570469488.db2.gz	GXMYHUCOCJLUCV-UHFFFAOYSA-N	-1	3	383.469	4.905	40	0		GJABHM
[O-]c1cc(O)ccc1-c1nc2ccc(Br)cn2c1NC1CCCC1	ZINC000000904251	570515656	/nfs/dbraw/zinc/51/56/56/570515656.db2.gz	UCKRTHCAVQAVRA-UHFFFAOYSA-N	-1	3	388.265	4.530	40	0		GJABHM
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[N-]c1nnc(C2CCCC2)s1	ZINC000001356257	570574653	/nfs/dbraw/zinc/57/46/53/570574653.db2.gz	CQRDDDXWKGYVQC-UHFFFAOYSA-N	-1	3	387.896	4.596	40	0		GJABHM
Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(Br)c1[O-]	ZINC000226243204	570935171	/nfs/dbraw/zinc/93/51/71/570935171.db2.gz	HXGAZUCVHISAMY-UHFFFAOYSA-N	-1	3	398.684	4.913	40	0		GJABHM
CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccc1[O-]	ZINC000409412545	231202514	/nfs/dbraw/zinc/20/25/14/231202514.db2.gz	XBWCPHKPIVMINT-UHFFFAOYSA-N	-1	3	396.516	4.525	40	0		GJABHM
O=C([O-])c1ccccc1-c1ccc(CN2CC(c3cc4cccnc4[nH]3)C2)cc1	ZINC000257276581	212016175	/nfs/dbraw/zinc/01/61/75/212016175.db2.gz	NUJIYLINQUPPLR-UHFFFAOYSA-N	-1	3	383.451	4.528	40	0		GJABHM
CNc1cccc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)[O-])cc2)n1	ZINC000257267172	212015203	/nfs/dbraw/zinc/01/52/03/212015203.db2.gz	MGFGDLFMLYBHNI-QFIPXVFZSA-N	-1	3	387.483	4.826	40	0		GJABHM
Cc1cncnc1C1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CC1	ZINC000257281301	206172024	/nfs/dbraw/zinc/17/20/24/206172024.db2.gz	OONQKEAHNPYHML-UHFFFAOYSA-N	-1	3	387.483	4.530	40	0		GJABHM
CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(Cl)ccc4[O-])OCC[C@@]31C2	ZINC000257307651	206176866	/nfs/dbraw/zinc/17/68/66/206176866.db2.gz	SZRLOHXGDRSJRB-VJAQEADRSA-N	-1	3	391.939	4.700	40	0		GJABHM
COc1cccc([C@@H]2CCCN2Cc2ccc(-c3ccc(C(=O)[O-])c(O)c3)o2)c1	ZINC000257253818	206168021	/nfs/dbraw/zinc/16/80/21/206168021.db2.gz	KAJRHJMQHKSVEV-FQEVSTJZSA-N	-1	3	393.439	4.696	40	0		GJABHM
Cc1cccc([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)n1	ZINC000257257754	206168796	/nfs/dbraw/zinc/16/87/96/206168796.db2.gz	KQYIYRKPHBCBQH-QGZVFWFLSA-N	-1	3	376.456	4.728	40	0		GJABHM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(SC)cc1	ZINC000020029966	210312336	/nfs/dbraw/zinc/31/23/36/210312336.db2.gz	RLIGNHXQIJWINF-GFCCVEGCSA-N	-1	3	385.938	4.500	40	0		GJABHM
Cc1cccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2([O-])C(F)(F)F)c1	ZINC000409098883	534599428	/nfs/dbraw/zinc/59/94/28/534599428.db2.gz	MMYMTVGUTJAJTP-YZVOILCLSA-N	-1	3	382.426	4.520	40	0		GJABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c(C)c1C	ZINC000222970218	570434106	/nfs/dbraw/zinc/43/41/06/570434106.db2.gz	GICGXLIYFAYUID-UHFFFAOYSA-N	-1	3	393.814	4.785	40	0		GJABHM
CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(-c2ccc(F)cc2)on1	ZINC000004880474	204085543	/nfs/dbraw/zinc/08/55/43/204085543.db2.gz	VATPPQPMVSCJDD-UHFFFAOYSA-N	-1	3	388.420	4.588	40	0		GJABHM
Cc1cncc(C2CCN(Cc3ccc(-c4ccccc4C(=O)[O-])cc3)CC2)n1	ZINC000257212216	212003811	/nfs/dbraw/zinc/00/38/11/212003811.db2.gz	CCJWXYQMZZJXSZ-UHFFFAOYSA-N	-1	3	387.483	4.530	40	0		GJABHM
COc1c(F)c(F)c(C(=O)[N-]c2nc(-c3ccccc3)cs2)c(F)c1F	ZINC000408622642	533427994	/nfs/dbraw/zinc/42/79/94/533427994.db2.gz	QEDAXEHXZGRUKA-UHFFFAOYSA-N	-1	3	382.338	4.627	40	0		GJABHM
Cc1cccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2([O-])C(F)(F)F)c1	ZINC000409098882	534598411	/nfs/dbraw/zinc/59/84/11/534598411.db2.gz	MMYMTVGUTJAJTP-QMTMVMCOSA-N	-1	3	382.426	4.520	40	0		GJABHM
CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)CCc1ccccc1)N2	ZINC000409105385	526648276	/nfs/dbraw/zinc/64/82/76/526648276.db2.gz	NCRHBDJJDPWNGO-GUXCAODWSA-N	-1	3	396.453	4.531	40	0		GJABHM
CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1Cl	ZINC000408585647	528587931	/nfs/dbraw/zinc/58/79/31/528587931.db2.gz	HSBXBTNQIYQZMI-UHFFFAOYSA-N	-1	3	380.680	4.846	40	0		GJABHM
COc1ccc(S(=O)(=O)[N-]Cc2ccc3ccccc3c2)c(Cl)c1Cl	ZINC000222767426	570425033	/nfs/dbraw/zinc/42/50/33/570425033.db2.gz	BKZDHJOQDNRDBA-UHFFFAOYSA-N	-1	3	396.295	4.634	40	0		GJABHM
CCc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)ccc1OC	ZINC000223678621	570478356	/nfs/dbraw/zinc/47/83/56/570478356.db2.gz	IGQDQGGSNPBJJA-UHFFFAOYSA-N	-1	3	383.469	4.851	40	0		GJABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c(C)c1	ZINC000223975979	570492415	/nfs/dbraw/zinc/49/24/15/570492415.db2.gz	CIYQPHRWHPIPTG-UHFFFAOYSA-N	-1	3	397.496	4.692	40	0		GJABHM
[O-]n1c2c([n+]([O-])c1-c1ccc(Br)s1)-c1cccc3cccc-2c13	ZINC000006884213	570498103	/nfs/dbraw/zinc/49/81/03/570498103.db2.gz	PINPJJZBOIPVSW-UHFFFAOYSA-N	-1	3	385.242	4.650	40	0		GJABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c(C)c1C	ZINC000224581267	570519015	/nfs/dbraw/zinc/51/90/15/570519015.db2.gz	YUFBUWVRGQGSIO-UHFFFAOYSA-N	-1	3	397.496	4.692	40	0		GJABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1C(C)C	ZINC000224937808	570539169	/nfs/dbraw/zinc/53/91/69/570539169.db2.gz	AGAMLNWZYJDZPN-UHFFFAOYSA-N	-1	3	388.533	4.528	40	0		GJABHM
CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1OCC	ZINC000008497062	570681820	/nfs/dbraw/zinc/68/18/20/570681820.db2.gz	IOQOPYPAJMYSPL-UHFFFAOYSA-N	-1	3	390.288	4.592	40	0		GJABHM
CCc1ccc(N[C@H]2NC(=O)/C(=C\c3c([O-])ccc4ccccc43)S2)cc1	ZINC000408772867	570682346	/nfs/dbraw/zinc/68/23/46/570682346.db2.gz	NRKKQBOAKPJSQV-IMEWXKHHSA-N	-1	3	376.481	4.707	40	0		GJABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1C	ZINC000006553301	570747292	/nfs/dbraw/zinc/74/72/92/570747292.db2.gz	UOXXTIINTLSJSV-UHFFFAOYSA-N	-1	3	395.484	4.748	40	0		GJABHM
O=S(=O)([N-]CCCc1ccccc1Cl)c1cc(Cl)ccc1Cl	ZINC000013668331	570769809	/nfs/dbraw/zinc/76/98/09/570769809.db2.gz	YMOHCAIEFCWBGB-UHFFFAOYSA-N	-1	3	378.708	4.558	40	0		GJABHM
CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2O1	ZINC000013669925	570770346	/nfs/dbraw/zinc/77/03/46/570770346.db2.gz	IZQNIAQCABSJTP-AWEZNQCLSA-N	-1	3	386.300	4.574	40	0		GJABHM
C=C(OC)c1ccc(-c2ccc(/C=C3/[N-]C(=O)N(c4ccccc4)C3=O)o2)cc1	ZINC000016189522	570917210	/nfs/dbraw/zinc/91/72/10/570917210.db2.gz	KMXKPPLRWCUGRQ-XSFVSMFZSA-N	-1	3	386.407	4.661	40	0		GJABHM
[O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccs1	ZINC000224858716	206028479	/nfs/dbraw/zinc/02/84/79/206028479.db2.gz	BBFFMCCYXCJKFC-IRXDYDNUSA-N	-1	3	387.917	4.679	40	0		GJABHM
Cc1ccc2ccccc2c1NC(=O)CSc1nnc(-c2ccccc2[O-])o1	ZINC000000970942	220473281	/nfs/dbraw/zinc/47/32/81/220473281.db2.gz	WSBOJGMQUHOQIT-UHFFFAOYSA-N	-1	3	391.452	4.635	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1cccc(C)c1)N2	ZINC000409349515	528595412	/nfs/dbraw/zinc/59/54/12/528595412.db2.gz	UAPNWCKVYBDFJC-QINHECLXSA-N	-1	3	396.453	4.910	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1cccc(C)c1)N2	ZINC000409349508	528595708	/nfs/dbraw/zinc/59/57/08/528595708.db2.gz	UAPNWCKVYBDFJC-GQIGUUNPSA-N	-1	3	396.453	4.910	40	0		GJABHM
CCc1nc2sc([C@H](c3ccccc3Cl)N3CCC[C@@H](C)C3)c([O-])n2n1	ZINC000016690026	570494781	/nfs/dbraw/zinc/49/47/81/570494781.db2.gz	KZWOSCALJJBUOD-WBMJQRKESA-N	-1	3	390.940	4.534	40	0		GJABHM
O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@H](Cc3nccs3)C2)o1	ZINC000257334123	212026661	/nfs/dbraw/zinc/02/66/61/212026661.db2.gz	YEQPNWUJCGXYAT-OAHLLOKOSA-N	-1	3	382.485	4.556	40	0		GJABHM
CCCCc1ccc2nc(NC(=S)[N-]C(=O)COc3ccccc3)sc2c1	ZINC000006593035	204186698	/nfs/dbraw/zinc/18/66/98/204186698.db2.gz	DYXNZFSOKHDMOW-UHFFFAOYSA-N	-1	3	399.541	4.531	40	0		GJABHM
Cc1ccc(C2CCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)CC2)nc1	ZINC000257275352	212016552	/nfs/dbraw/zinc/01/65/52/212016552.db2.gz	NOZCKYABUGBTCZ-UHFFFAOYSA-N	-1	3	376.456	4.728	40	0		GJABHM
C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)ccc2N1	ZINC000078403988	205373906	/nfs/dbraw/zinc/37/39/06/205373906.db2.gz	IKUBMFZNADRZNT-HNNXBMFYSA-N	-1	3	380.469	4.636	40	0		GJABHM
Cc1ccc(-c2nnsc2C(=O)[N-]c2ccc(Br)cc2F)cc1	ZINC000225774469	206076272	/nfs/dbraw/zinc/07/62/72/206076272.db2.gz	IUNRBBLDPPMZDD-UHFFFAOYSA-N	-1	3	392.253	4.667	40	0		GJABHM
Cc1cncnc1[C@@H]1CCCCN1Cc1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000257277732	206171485	/nfs/dbraw/zinc/17/14/85/206171485.db2.gz	NZDPZEJNYMZVOX-QFIPXVFZSA-N	-1	3	387.483	4.877	40	0		GJABHM
CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c([O-])ccc5ccccc54)OCC[C@@]31C2	ZINC000257231197	206163493	/nfs/dbraw/zinc/16/34/93/206163493.db2.gz	GFRZNAKTPLHYLP-GQABQBDCSA-N	-1	3	379.500	4.564	40	0		GJABHM
Cc1nccc([C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)n1	ZINC000257256027	206168497	/nfs/dbraw/zinc/16/84/97/206168497.db2.gz	KJUKPDQUVMZRAK-FQEVSTJZSA-N	-1	3	387.483	4.530	40	0		GJABHM
Cc1ccc(-c2n[n-]c3c2[C@H](c2ccccc2)N(c2ccc(O)cc2)C3=O)cc1	ZINC000078547166	211146823	/nfs/dbraw/zinc/14/68/23/211146823.db2.gz	AEPWKCPPMQLIPX-QHCPKHFHSA-N	-1	3	381.435	4.841	40	0		GJABHM
Cc1ccc(-c2[n-]nc3c2[C@H](c2ccccc2)N(c2ccc(O)cc2)C3=O)cc1	ZINC000078547166	211146825	/nfs/dbraw/zinc/14/68/25/211146825.db2.gz	AEPWKCPPMQLIPX-QHCPKHFHSA-N	-1	3	381.435	4.841	40	0		GJABHM
CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)CCc1ccccc1)N2	ZINC000409105390	526647978	/nfs/dbraw/zinc/64/79/78/526647978.db2.gz	NCRHBDJJDPWNGO-QINHECLXSA-N	-1	3	396.453	4.531	40	0		GJABHM
CC(C)(C)C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1	ZINC000408628910	527581168	/nfs/dbraw/zinc/58/11/68/527581168.db2.gz	XYAKDFQKZQBHRF-UHFFFAOYSA-N	-1	3	385.514	4.528	40	0		GJABHM
CSCC[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000034194595	570593101	/nfs/dbraw/zinc/59/31/01/570593101.db2.gz	RHTIVPPVTDQTCL-JOCHJYFZSA-N	-1	3	391.536	4.774	40	0		GJABHM
O=S(=O)([N-]CCCc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl	ZINC000013612421	570762429	/nfs/dbraw/zinc/76/24/29/570762429.db2.gz	FWODMGDNKHEEDB-UHFFFAOYSA-N	-1	3	378.708	4.558	40	0		GJABHM
O=C1[N-]C(=Cc2cccn2-c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1	ZINC000409231286	231184317	/nfs/dbraw/zinc/18/43/17/231184317.db2.gz	IZHWBQXLTVDBIZ-LDADJPATSA-N	-1	3	398.249	4.881	40	0		GJABHM
Cc1cccc([C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)n1	ZINC000257257753	206168108	/nfs/dbraw/zinc/16/81/08/206168108.db2.gz	KQYIYRKPHBCBQH-KRWDZBQOSA-N	-1	3	376.456	4.728	40	0		GJABHM
Cc1cncc([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)n1	ZINC000257270547	206169244	/nfs/dbraw/zinc/16/92/44/206169244.db2.gz	MUROBUVQWVHVGF-HXUWFJFHSA-N	-1	3	387.483	4.530	40	0		GJABHM
COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Cl)c1[O-]	ZINC000409137026	533473505	/nfs/dbraw/zinc/47/35/05/533473505.db2.gz	UPMLDZKAKCNOJS-OQLLNIDSSA-N	-1	3	381.881	4.671	40	0		GJABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1C	ZINC000408556367	528587951	/nfs/dbraw/zinc/58/79/51/528587951.db2.gz	ICQUQRBUHBEVCQ-UHFFFAOYSA-N	-1	3	393.814	4.867	40	0		GJABHM
CCOC(=O)c1[n-]c(-c2ccc(OC)cc2)c(C(=O)OCC)c1-c1ccccc1	ZINC000001596876	570265716	/nfs/dbraw/zinc/26/57/16/570265716.db2.gz	PTUWPYVQUMPITO-UHFFFAOYSA-N	-1	3	393.439	4.711	40	0		GJABHM
COc1c(F)c(F)c(C(=O)[N-]c2nc3c(cccc3Cl)s2)c(F)c1F	ZINC000408621302	570370688	/nfs/dbraw/zinc/37/06/88/570370688.db2.gz	LKEZNXBIAJCLHT-UHFFFAOYSA-N	-1	3	390.745	4.767	40	0		GJABHM
CC(C)c1cc(=O)[n-]c(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)n1	ZINC000008017794	570764904	/nfs/dbraw/zinc/76/49/04/570764904.db2.gz	WMLNCOJPLGDQQC-UHFFFAOYSA-N	-1	3	391.862	4.901	40	0		GJABHM
C[C@@H](Sc1nnc(-c2ccc([O-])cc2)o1)C(=O)Nc1cccc2ccccc21	ZINC000013123840	570831790	/nfs/dbraw/zinc/83/17/90/570831790.db2.gz	BOAJDIRDEVEOGW-CYBMUJFWSA-N	-1	3	391.452	4.715	40	0		GJABHM
Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1	ZINC000013997898	570869549	/nfs/dbraw/zinc/86/95/49/570869549.db2.gz	BMNNCVFOGPIYQK-UHFFFAOYSA-N	-1	3	394.496	4.665	40	0		GJABHM
Cc1cncc([C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)n1	ZINC000257270546	212014662	/nfs/dbraw/zinc/01/46/62/212014662.db2.gz	MUROBUVQWVHVGF-FQEVSTJZSA-N	-1	3	387.483	4.530	40	0		GJABHM
Cc1cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)ccc1[N-]S(C)(=O)=O	ZINC000224087359	206011414	/nfs/dbraw/zinc/01/14/14/206011414.db2.gz	ZTHCMUJJWJLOKW-UHFFFAOYSA-N	-1	3	394.452	4.518	40	0		GJABHM
COc1ccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1Cl	ZINC000224129835	206012899	/nfs/dbraw/zinc/01/28/99/206012899.db2.gz	UKDQHFAVSJDULK-UHFFFAOYSA-N	-1	3	383.897	4.590	40	0		GJABHM
Cc1cccc(-n2cccc2/C=C2/[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1	ZINC000409096044	534566981	/nfs/dbraw/zinc/56/69/81/534566981.db2.gz	FHPPKTJCNCRERZ-CPNJWEJPSA-N	-1	3	377.831	4.536	40	0		GJABHM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1Cl	ZINC000408556338	528473624	/nfs/dbraw/zinc/47/36/24/528473624.db2.gz	HTTFECVQTLWCFZ-UHFFFAOYSA-N	-1	3	394.707	4.524	40	0		GJABHM
COc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl	ZINC000216307009	570298549	/nfs/dbraw/zinc/29/85/49/570298549.db2.gz	BKWXWBRIAGOBLF-UHFFFAOYSA-N	-1	3	389.860	4.942	40	0		GJABHM
COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C)cc2C)c(Cl)c1Cl	ZINC000030758033	570495603	/nfs/dbraw/zinc/49/56/03/570495603.db2.gz	PHDNVCWYRDNTIR-GFCCVEGCSA-N	-1	3	388.316	4.658	40	0		GJABHM
CCc1nc2sc([C@H](c3ccccc3Cl)N3CCC[C@H](C)C3)c([O-])n2n1	ZINC000036104700	570541665	/nfs/dbraw/zinc/54/16/65/570541665.db2.gz	KZWOSCALJJBUOD-LRDDRELGSA-N	-1	3	390.940	4.534	40	0		GJABHM
COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Br)c2)cc1C(C)C	ZINC000225451148	570575370	/nfs/dbraw/zinc/57/53/70/570575370.db2.gz	YSNZKXNGWCDRQR-UHFFFAOYSA-N	-1	3	398.322	4.690	40	0		GJABHM
CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2O1	ZINC000013669924	570770274	/nfs/dbraw/zinc/77/02/74/570770274.db2.gz	IZQNIAQCABSJTP-CQSZACIVSA-N	-1	3	386.300	4.574	40	0		GJABHM
O=C(COc1ccc(C2SCCS2)cc1)Nc1cc(Cl)ccc1[O-]	ZINC000408567863	231064917	/nfs/dbraw/zinc/06/49/17/231064917.db2.gz	GMALMYLVUPOUTA-UHFFFAOYSA-N	-1	3	381.906	4.542	40	0		GJABHM
O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1cccc(Br)c1	ZINC000013683397	210079887	/nfs/dbraw/zinc/07/98/87/210079887.db2.gz	XYIPRBZKWDRUEN-UHFFFAOYSA-N	-1	3	395.105	4.698	40	0		GJABHM
Cc1c(Cl)ccc2c(NC(=O)c3c[n-]c4c(Cl)cccc4c3=O)ccnc12	ZINC000040359273	212041708	/nfs/dbraw/zinc/04/17/08/212041708.db2.gz	XSALELPFSCGEDF-UHFFFAOYSA-N	-1	3	398.249	4.944	40	0		GJABHM
Cc1c(Cl)ccc2c(NC(=O)c3cnc4c(Cl)cccc4c3[O-])ccnc12	ZINC000040359273	212041713	/nfs/dbraw/zinc/04/17/13/212041713.db2.gz	XSALELPFSCGEDF-UHFFFAOYSA-N	-1	3	398.249	4.944	40	0		GJABHM
O=S(=O)([N-]CCOc1ccc2ccccc2c1)c1cc(Cl)ccc1Cl	ZINC000223603205	206002350	/nfs/dbraw/zinc/00/23/50/206002350.db2.gz	LNJYGDUCVSYAIK-UHFFFAOYSA-N	-1	3	396.295	4.504	40	0		GJABHM
[O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccs1	ZINC000224858755	206028782	/nfs/dbraw/zinc/02/87/82/206028782.db2.gz	BBFFMCCYXCJKFC-SJORKVTESA-N	-1	3	387.917	4.679	40	0		GJABHM
Cc1cc([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)ccn1	ZINC000257226196	206162451	/nfs/dbraw/zinc/16/24/51/206162451.db2.gz	FJORKDKVPBSLHG-GOSISDBHSA-N	-1	3	376.456	4.728	40	0		GJABHM
CC[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(Cl)c(C)c1)N2	ZINC000409183018	529266911	/nfs/dbraw/zinc/26/69/11/529266911.db2.gz	RJMZRRHAKNHWPS-CJBNDPTMSA-N	-1	3	388.817	4.537	40	0		GJABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C	ZINC000223245822	570452660	/nfs/dbraw/zinc/45/26/60/570452660.db2.gz	WECFMWWQWXOBOA-UHFFFAOYSA-N	-1	3	383.469	4.905	40	0		GJABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)c(C)c1	ZINC000223269016	570454728	/nfs/dbraw/zinc/45/47/28/570454728.db2.gz	FZKHPYPZANLALE-UHFFFAOYSA-N	-1	3	383.469	4.905	40	0		GJABHM
CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)ccc2O1	ZINC000223663403	570477502	/nfs/dbraw/zinc/47/75/02/570477502.db2.gz	AKKWIKSIQYUSQE-UHFFFAOYSA-N	-1	3	385.407	4.610	40	0		GJABHM
Cc1cc(CN(C(=O)c2ccc3[n-]c(Cl)nc3c2)C2CCCC2)c(C)n1C	ZINC000225985896	570638188	/nfs/dbraw/zinc/63/81/88/570638188.db2.gz	PXNMUWRQZQREAW-UHFFFAOYSA-N	-1	3	384.911	4.757	40	0		GJABHM
CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3c([O-])ccc4ccccc43)S2)cc1	ZINC000408772868	570682252	/nfs/dbraw/zinc/68/22/52/570682252.db2.gz	NRKKQBOAKPJSQV-WVWKGNOCSA-N	-1	3	376.481	4.707	40	0		GJABHM
C[C@H](Sc1nnc(-c2ccc([O-])cc2)o1)C(=O)Nc1cccc2ccccc21	ZINC000013123841	570832086	/nfs/dbraw/zinc/83/20/86/570832086.db2.gz	BOAJDIRDEVEOGW-ZDUSSCGKSA-N	-1	3	391.452	4.715	40	0		GJABHM
Cc1ccc(NC(=O)c2c([N-]C(=O)C(F)(F)F)sc3c2CCCC3)cc1C	ZINC000409117801	231165600	/nfs/dbraw/zinc/16/56/00/231165600.db2.gz	NEJWZVBUYRZYFB-UHFFFAOYSA-N	-1	3	396.434	4.997	40	0		GJABHM
CCc1nnc([N-]C(=O)c2sc3nc4ccc(C(C)C)cc4cc3c2N)s1	ZINC000035314296	209632649	/nfs/dbraw/zinc/63/26/49/209632649.db2.gz	ZWYJAUQEFZQEQC-UHFFFAOYSA-N	-1	3	397.529	4.821	40	0		GJABHM
Cc1onc(-c2ccccc2Cl)c1C(=O)Sc1cc(C)nc(=S)[n-]1	ZINC000005537492	204138472	/nfs/dbraw/zinc/13/84/72/204138472.db2.gz	ZRMKBBDZTBZTCU-UHFFFAOYSA-N	-1	3	377.878	4.997	40	0		GJABHM
O=C([N-]c1nc2ccc(Cl)cc2s1)c1c(F)c(F)c(F)c(F)c1F	ZINC000005678129	204146135	/nfs/dbraw/zinc/14/61/35/204146135.db2.gz	GLWVTWKCOIBXAD-UHFFFAOYSA-N	-1	3	378.709	4.898	40	0		GJABHM
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=S)[N-]C1CCCCC1	ZINC000020428777	210333853	/nfs/dbraw/zinc/33/38/53/210333853.db2.gz	DBZIJLUSZIGESI-UHFFFAOYSA-N	-1	3	398.372	4.912	40	0		GJABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C	ZINC000408558992	528589538	/nfs/dbraw/zinc/58/95/38/528589538.db2.gz	UXFMJPIBPMGPNS-UHFFFAOYSA-N	-1	3	383.469	4.987	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(C)cc1)N2	ZINC000409351014	528595016	/nfs/dbraw/zinc/59/50/16/528595016.db2.gz	VILRGOBYSMPHBN-JXXFODFXSA-N	-1	3	396.453	4.910	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)OC(C)(C)C)N2	ZINC000409362058	528595072	/nfs/dbraw/zinc/59/50/72/528595072.db2.gz	RSQHNRCEXYEWSP-PSTGCABASA-N	-1	3	378.435	4.697	40	0		GJABHM
CCc1ccc2oc(-c3cc(NC(=S)NC(=O)CC(C)C)ccc3[O-])nc2c1	ZINC000408626930	570379344	/nfs/dbraw/zinc/37/93/44/570379344.db2.gz	JNLAAMCCZXTBNS-UHFFFAOYSA-N	-1	3	397.500	4.622	40	0		GJABHM
COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1[O-]	ZINC000008109154	570466069	/nfs/dbraw/zinc/46/60/69/570466069.db2.gz	SCGQMIMIOVRQDC-VGOFMYFVSA-N	-1	3	396.251	4.949	40	0		GJABHM
Cc1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2([O-])C(F)(F)F)cc1	ZINC000409097266	231159210	/nfs/dbraw/zinc/15/92/10/231159210.db2.gz	MXIKOOFOISRKOL-QMTMVMCOSA-N	-1	3	382.426	4.520	40	0		GJABHM
CCCCCC(=O)NC(=S)Nc1cc(C)c([O-])c(-c2nc3ccccc3o2)c1	ZINC000005946113	204158609	/nfs/dbraw/zinc/15/86/09/204158609.db2.gz	NVXMICONEMOZTE-UHFFFAOYSA-N	-1	3	397.500	4.902	40	0		GJABHM
CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCC[C@H](C)C3)c([O-])n2n1	ZINC000036104698	204306209	/nfs/dbraw/zinc/30/62/09/204306209.db2.gz	KZWOSCALJJBUOD-BLLLJJGKSA-N	-1	3	390.940	4.534	40	0		GJABHM
CC1(C)CCc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)ccc2O1	ZINC000223659923	206004379	/nfs/dbraw/zinc/00/43/79/206004379.db2.gz	FKUJKSVURYZGPH-UHFFFAOYSA-N	-1	3	386.300	4.898	40	0		GJABHM
[O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Cl)s1	ZINC000224591115	206023803	/nfs/dbraw/zinc/02/38/03/206023803.db2.gz	PTFQZJUQRAPCPG-IAGOWNOFSA-N	-1	3	387.917	4.679	40	0		GJABHM
COc1cccc2cc(C(=O)[N-]c3nnc(-c4ccc(Cl)cc4)s3)oc21	ZINC000225618623	206061475	/nfs/dbraw/zinc/06/14/75/206061475.db2.gz	VORSWQZUDYSNRY-UHFFFAOYSA-N	-1	3	385.832	4.866	40	0		GJABHM
CC(C)C(=O)N[C@]1(C)C[C@H](c2cc(F)ccc2[O-])O[C@H](c2ccc(F)cc2)C1	ZINC000257199932	206157947	/nfs/dbraw/zinc/15/79/47/206157947.db2.gz	ABIBYSJLQJKQSM-VWPQPMDRSA-N	-1	3	389.442	4.794	40	0		GJABHM
Cc1ccc(Sc2oc(C=C3SC(=O)[N-]C3=O)cc2Br)cc1	ZINC000001097009	570295470	/nfs/dbraw/zinc/29/54/70/570295470.db2.gz	OXZCGPAZKHUKNZ-KPKJPENVSA-N	-1	3	396.287	4.826	40	0		GJABHM
COc1cc2c(cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl)CCCC2	ZINC000222562301	570414539	/nfs/dbraw/zinc/41/45/39/570414539.db2.gz	XJQWRKNDMKUUSU-UHFFFAOYSA-N	-1	3	386.300	4.682	40	0		GJABHM
CC1(C)CCc2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc2O1	ZINC000223659195	570477527	/nfs/dbraw/zinc/47/75/27/570477527.db2.gz	AYSLASOCSOPMEE-UHFFFAOYSA-N	-1	3	385.407	4.610	40	0		GJABHM
COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(C)C	ZINC000223706418	570480352	/nfs/dbraw/zinc/48/03/52/570480352.db2.gz	IYHIVQYYTASNPT-UHFFFAOYSA-N	-1	3	387.423	4.947	40	0		GJABHM
COc1cc(C)c(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)cc1C(C)C	ZINC000225190164	570554751	/nfs/dbraw/zinc/55/47/51/570554751.db2.gz	HEXUYSAZMYNBFI-UHFFFAOYSA-N	-1	3	377.506	4.715	40	0		GJABHM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1	ZINC000013997934	570869478	/nfs/dbraw/zinc/86/94/78/570869478.db2.gz	QJRDEBXJIGXAAG-UHFFFAOYSA-N	-1	3	394.496	4.665	40	0		GJABHM
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1F	ZINC000218901865	570942928	/nfs/dbraw/zinc/94/29/28/570942928.db2.gz	BGVMKCVORFVNEX-UHFFFAOYSA-N	-1	3	384.643	4.595	40	0		GJABHM
Cc1ccccc1CSCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000409028477	231149220	/nfs/dbraw/zinc/14/92/20/231149220.db2.gz	NOHISCOVDBARGG-UHFFFAOYSA-N	-1	3	390.357	4.514	40	0		GJABHM
O=C1[N-]C(=Cc2ccc(-c3cccc(F)c3)o2)C(=O)N1c1ccc(Cl)cc1	ZINC000409172113	231174267	/nfs/dbraw/zinc/17/42/67/231174267.db2.gz	HUHMEASLUDXJRW-GZTJUZNOSA-N	-1	3	382.778	4.836	40	0		GJABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1C(C)C	ZINC000225191491	206040485	/nfs/dbraw/zinc/04/04/85/206040485.db2.gz	CBRRPISQSJNIKA-UHFFFAOYSA-N	-1	3	377.506	4.715	40	0		GJABHM
Cc1cc(=O)cc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)[O-])cc2)[nH]1	ZINC000257325163	206179885	/nfs/dbraw/zinc/17/98/85/206179885.db2.gz	WRSUXZLKIYXVBZ-HSZRJFAPSA-N	-1	3	388.467	4.798	40	0		GJABHM
Cc1cccc(-n2cccc2/C=C2/[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1C	ZINC000409235423	534567103	/nfs/dbraw/zinc/56/71/03/534567103.db2.gz	PQPRZYJCXRUQJK-CPNJWEJPSA-N	-1	3	391.858	4.845	40	0		GJABHM
CCCCC(=O)NC(=S)Nc1ccc([O-])c(-c2nc3ccc(C)cc3o2)c1	ZINC000408628700	528088241	/nfs/dbraw/zinc/08/82/41/528088241.db2.gz	WEIURAPFICQQJP-UHFFFAOYSA-N	-1	3	383.473	4.512	40	0		GJABHM
CCOc1cc(CNc2ccc(CC)cc2)cc(I)c1[O-]	ZINC000409109451	528285906	/nfs/dbraw/zinc/28/59/06/528285906.db2.gz	FCRIIHZDNUSBSD-UHFFFAOYSA-N	-1	3	397.256	4.570	40	0		GJABHM
CCOc1cc(CNc2ccccc2CC)cc(I)c1[O-]	ZINC000409111660	528286975	/nfs/dbraw/zinc/28/69/75/528286975.db2.gz	BKMATOYYODHYTR-UHFFFAOYSA-N	-1	3	397.256	4.570	40	0		GJABHM
Cc1cccc(C(C)C)c1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O	ZINC000019937701	570232150	/nfs/dbraw/zinc/23/21/50/570232150.db2.gz	DIXFFFVKONSARN-UHFFFAOYSA-N	-1	3	395.890	4.703	40	0		GJABHM
COc1cc(C(=O)O[C@@H]2C/C(C)=C/CC/C(C)=C/[C@@H](O)[C@@H]2C(C)C)ccc1[O-]	ZINC000005638787	570271807	/nfs/dbraw/zinc/27/18/07/570271807.db2.gz	OLJDCWYDXLXFJK-QJJHTSDZSA-N	-1	3	388.504	4.636	40	0		GJABHM
COc1cc([O-])c(-c2ncnc(C(F)(F)F)c2-c2csc(C)n2)cc1C	ZINC000005959665	570274709	/nfs/dbraw/zinc/27/47/09/570274709.db2.gz	LQLBRJIBKCXLOG-UHFFFAOYSA-N	-1	3	381.379	4.617	40	0		GJABHM
O=C1Nc2ccccc2C1(c1cc(Cl)ccc1[O-])c1cc(Cl)ccc1O	ZINC000222148012	570407423	/nfs/dbraw/zinc/40/74/23/570407423.db2.gz	YNQPUIXKYUANLD-UHFFFAOYSA-N	-1	3	386.234	4.691	40	0		GJABHM
CSc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1Br	ZINC000223435184	570465678	/nfs/dbraw/zinc/46/56/78/570465678.db2.gz	NCBGGAJNYSMODV-UHFFFAOYSA-N	-1	3	392.727	4.625	40	0		GJABHM
COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C)cc2C)c(Cl)c1Cl	ZINC000030758029	570495597	/nfs/dbraw/zinc/49/55/97/570495597.db2.gz	PHDNVCWYRDNTIR-LBPRGKRZSA-N	-1	3	388.316	4.658	40	0		GJABHM
Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1	ZINC000224858539	570534758	/nfs/dbraw/zinc/53/47/58/570534758.db2.gz	KGZVTTAOAQWORR-QZTJIDSGSA-N	-1	3	385.876	4.519	40	0		GJABHM
Cc1ccc(NC(=O)c2c([N-]C(=O)C(F)(F)F)sc3c2CCCC3)cc1	ZINC000409114457	231164362	/nfs/dbraw/zinc/16/43/62/231164362.db2.gz	HMPIYZSQVFPJJY-UHFFFAOYSA-N	-1	3	382.407	4.688	40	0		GJABHM
O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@@H](Cc3nccs3)C2)cc1	ZINC000257318356	212024833	/nfs/dbraw/zinc/02/48/33/212024833.db2.gz	VNOGGYMDDDHELA-SFHVURJKSA-N	-1	3	392.524	4.963	40	0		GJABHM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cc(C)c(C)cc1C	ZINC000022540360	204783183	/nfs/dbraw/zinc/78/31/83/204783183.db2.gz	KIIYDIGWIFYEOC-OAHLLOKOSA-N	-1	3	381.925	4.703	40	0		GJABHM
C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)ccc2N1	ZINC000078403986	205373843	/nfs/dbraw/zinc/37/38/43/205373843.db2.gz	IKUBMFZNADRZNT-OAHLLOKOSA-N	-1	3	380.469	4.636	40	0		GJABHM
CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1	ZINC000224598780	206024127	/nfs/dbraw/zinc/02/41/27/206024127.db2.gz	KDSJZYOPDAXMHD-PMACEKPBSA-N	-1	3	392.528	4.521	40	0		GJABHM
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)[nH]1	ZINC000224860692	206029973	/nfs/dbraw/zinc/02/99/73/206029973.db2.gz	FIAJJZUUHYFSLD-RTBURBONSA-N	-1	3	398.919	4.563	40	0		GJABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1C(C)C	ZINC000224886108	206031194	/nfs/dbraw/zinc/03/11/94/206031194.db2.gz	IRHABFBZTZVIPM-UHFFFAOYSA-N	-1	3	389.395	4.518	40	0		GJABHM
COc1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2ccccc2)cc1	ZINC000066088129	206225454	/nfs/dbraw/zinc/22/54/54/206225454.db2.gz	LTJRYNOMBCRXMF-QHCPKHFHSA-N	-1	3	381.435	4.835	40	0		GJABHM
COc1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2ccccc2)cc1	ZINC000066088129	206225458	/nfs/dbraw/zinc/22/54/58/206225458.db2.gz	LTJRYNOMBCRXMF-QHCPKHFHSA-N	-1	3	381.435	4.835	40	0		GJABHM
CCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Cl)c(C)c2)N1	ZINC000409179451	528114212	/nfs/dbraw/zinc/11/42/12/528114212.db2.gz	NXISAGYUTNQBGU-MRXNPFEDSA-N	-1	3	376.806	4.682	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)Cc1ccccc1)N2	ZINC000409361712	528594742	/nfs/dbraw/zinc/59/47/42/528594742.db2.gz	RDDPDCDZHVDHTA-JXXFODFXSA-N	-1	3	396.453	4.531	40	0		GJABHM
CCn1c2ccccc2c2cc(NC(=O)c3c[n-]c4ccccc4c3=O)ccc21	ZINC000022233998	570308823	/nfs/dbraw/zinc/30/88/23/570308823.db2.gz	LRQLCVROIYCUAW-UHFFFAOYSA-N	-1	3	381.435	4.908	40	0		GJABHM
CCn1c2ccccc2c2cc(NC(=O)c3cnc4ccccc4c3[O-])ccc21	ZINC000022233998	570308824	/nfs/dbraw/zinc/30/88/24/570308824.db2.gz	LRQLCVROIYCUAW-UHFFFAOYSA-N	-1	3	381.435	4.908	40	0		GJABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1C	ZINC000223146149	570446714	/nfs/dbraw/zinc/44/67/14/570446714.db2.gz	SGKFLWFGKCSBPW-UHFFFAOYSA-N	-1	3	393.814	4.785	40	0		GJABHM
COc1ccc(S(=O)(=O)[N-]Cc2ccc(C(C)C)cc2)c(Cl)c1Cl	ZINC000223717443	570480953	/nfs/dbraw/zinc/48/09/53/570480953.db2.gz	LFBRUAHSWWVNHS-UHFFFAOYSA-N	-1	3	388.316	4.604	40	0		GJABHM
[O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Cl)s1	ZINC000224591071	570519424	/nfs/dbraw/zinc/51/94/24/570519424.db2.gz	PTFQZJUQRAPCPG-DLBZAZTESA-N	-1	3	387.917	4.679	40	0		GJABHM
CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1	ZINC000224598644	570520073	/nfs/dbraw/zinc/52/00/73/570520073.db2.gz	KDSJZYOPDAXMHD-WOJBJXKFSA-N	-1	3	392.528	4.521	40	0		GJABHM
Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C(c3ccccc3)c3ccccc3)c2)n1	ZINC000047318134	570653824	/nfs/dbraw/zinc/65/38/24/570653824.db2.gz	ISUSPFGLJJTQMY-UHFFFAOYSA-N	-1	3	395.462	4.516	40	0		GJABHM
O=S(=O)([N-]c1ccccc1Br)c1cc(Cl)ccc1Cl	ZINC000005392769	570732657	/nfs/dbraw/zinc/73/26/57/570732657.db2.gz	UDMNBKYYHXNJSB-UHFFFAOYSA-N	-1	3	381.078	4.557	40	0		GJABHM
CCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1	ZINC000408601944	529688791	/nfs/dbraw/zinc/68/87/91/529688791.db2.gz	CMMMUKNZLXRSLZ-UHFFFAOYSA-N	-1	3	394.496	4.611	40	0		GJABHM
O=C([N-]c1nnc(SCc2ccccc2)s1)c1ccc(Cl)cc1F	ZINC000015587577	210160802	/nfs/dbraw/zinc/16/08/02/210160802.db2.gz	VRBVPDRRYHVZRR-UHFFFAOYSA-N	-1	3	379.869	4.875	40	0		GJABHM
O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1cccc(C(F)(F)F)c1	ZINC000013680388	204502217	/nfs/dbraw/zinc/50/22/17/204502217.db2.gz	PHJYFSKLOLCOPY-UHFFFAOYSA-N	-1	3	384.206	4.954	40	0		GJABHM
CCOc1cc(CNc2ccc(C)c(C)c2)cc(I)c1[O-]	ZINC000409110033	528285745	/nfs/dbraw/zinc/28/57/45/528285745.db2.gz	PYIRTIHJJBAPOM-UHFFFAOYSA-N	-1	3	397.256	4.624	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccccc1)N2	ZINC000409360552	528595728	/nfs/dbraw/zinc/59/57/28/528595728.db2.gz	QWOKBOMDUCQVGN-CLCXKQKWSA-N	-1	3	382.426	4.602	40	0		GJABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C(C)C	ZINC000223079641	570442070	/nfs/dbraw/zinc/44/20/70/570442070.db2.gz	VWTSWOTXESCQRH-UHFFFAOYSA-N	-1	3	387.423	4.947	40	0		GJABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(C(C)(C)C)cc1	ZINC000224553936	570518090	/nfs/dbraw/zinc/51/80/90/570518090.db2.gz	WEGVKIISJXYSKH-CYBMUJFWSA-N	-1	3	381.925	4.686	40	0		GJABHM
COc1ccc(CNC(=O)[C@H](c2ccccc2)c2cc(Cl)ccc2[O-])cc1	ZINC000059483647	570657909	/nfs/dbraw/zinc/65/79/09/570657909.db2.gz	BPEUOIGBMBZCAE-OAQYLSRUSA-N	-1	3	381.859	4.503	40	0		GJABHM
Cc1csc([C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)n1	ZINC000585177730	570999563	/nfs/dbraw/zinc/99/95/63/570999563.db2.gz	AOGYYXADQSHECB-HNNXBMFYSA-N	-1	3	382.485	4.789	40	0		GJABHM
CCc1cccc2c(C=C3SC(=O)[N-]C3=O)cn(Cc3ccccc3F)c21	ZINC000409146885	529549027	/nfs/dbraw/zinc/54/90/27/529549027.db2.gz	TVJRHXNWOHTWRV-ZDLGFXPLSA-N	-1	3	380.444	4.715	40	0		GJABHM
O=C([O-])c1ccc(CNCc2ccc(OCc3ccccc3Cl)cc2)cc1	ZINC000016449886	210190800	/nfs/dbraw/zinc/19/08/00/210190800.db2.gz	FMTHEHNMSXEDFF-UHFFFAOYSA-N	-1	3	381.859	4.907	40	0		GJABHM
CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)c2ccc([O-])cc2)CO[C@H]1c1cccc(F)c1	ZINC000257232492	206162946	/nfs/dbraw/zinc/16/29/46/206162946.db2.gz	GLBXCPFSXYKSHE-FIXSFTCYSA-N	-1	3	397.490	4.940	40	0		GJABHM
Cc1ccc(-n2cccc2/C=C2/[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl	ZINC000409018664	534240057	/nfs/dbraw/zinc/24/00/57/534240057.db2.gz	HZAYPCWZBLWVSO-CPNJWEJPSA-N	-1	3	377.831	4.536	40	0		GJABHM
CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)CCc1ccccc1)N2	ZINC000409105381	526648194	/nfs/dbraw/zinc/64/81/94/526648194.db2.gz	NCRHBDJJDPWNGO-GQIGUUNPSA-N	-1	3	396.453	4.531	40	0		GJABHM
CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3cc(F)ccc3[O-])o2)cc1	ZINC000000906563	570229462	/nfs/dbraw/zinc/22/94/62/570229462.db2.gz	NEACYRRAQAEGPU-UHFFFAOYSA-N	-1	3	386.448	4.854	40	0		GJABHM
COc1cc(C(=O)O[C@@H]2C/C(C)=C/CC/C(C)=C/[C@H](O)[C@@H]2C(C)C)ccc1[O-]	ZINC000005638781	570271933	/nfs/dbraw/zinc/27/19/33/570271933.db2.gz	OLJDCWYDXLXFJK-PYXRDPDGSA-N	-1	3	388.504	4.636	40	0		GJABHM
O=S(=O)([N-]CCOc1cccc2ccccc21)c1cc(Cl)ccc1Cl	ZINC000223530389	570469621	/nfs/dbraw/zinc/46/96/21/570469621.db2.gz	DVVNTKPZUSAAKF-UHFFFAOYSA-N	-1	3	396.295	4.504	40	0		GJABHM
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)[nH]1	ZINC000224860727	570534674	/nfs/dbraw/zinc/53/46/74/570534674.db2.gz	FIAJJZUUHYFSLD-MOPGFXCFSA-N	-1	3	398.919	4.563	40	0		GJABHM
Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1	ZINC000224858579	570534693	/nfs/dbraw/zinc/53/46/93/570534693.db2.gz	KGZVTTAOAQWORR-MSOLQXFVSA-N	-1	3	385.876	4.519	40	0		GJABHM
COc1ccc(CNC(=O)[C@@H](c2ccccc2)c2cc(Cl)ccc2[O-])cc1	ZINC000059483646	570657704	/nfs/dbraw/zinc/65/77/04/570657704.db2.gz	BPEUOIGBMBZCAE-NRFANRHFSA-N	-1	3	381.859	4.503	40	0		GJABHM
O=C([N-]c1nc(-c2ccccn2)cs1)c1ncoc1-c1ccccc1Cl	ZINC000019368296	210244109	/nfs/dbraw/zinc/24/41/09/210244109.db2.gz	MLCLAFLESDPBCX-UHFFFAOYSA-N	-1	3	382.832	4.766	40	0		GJABHM
CCc1ccc2oc(-c3cc(NC(=S)NC(=O)C(C)(C)C)ccc3[O-])nc2c1	ZINC000408628447	529731784	/nfs/dbraw/zinc/73/17/84/529731784.db2.gz	UAXBXGULGUEQIX-UHFFFAOYSA-N	-1	3	397.500	4.622	40	0		GJABHM
O=C([O-])c1ccccc1-c1ccc(CN2CCC(Cc3nccs3)CC2)cc1	ZINC000257250052	206166771	/nfs/dbraw/zinc/16/67/71/206166771.db2.gz	JKUUYHLRJIKCFA-UHFFFAOYSA-N	-1	3	392.524	4.963	40	0		GJABHM
O=C1c2[n-]nc(-c3ccccc3)c2[C@@H](c2ccc3c(c2)OCO3)N1c1ccccc1	ZINC000000860755	206211167	/nfs/dbraw/zinc/21/11/67/206211167.db2.gz	BVYIYNXVXUZVEO-HSZRJFAPSA-N	-1	3	395.418	4.555	40	0		GJABHM
O=C1c2n[n-]c(-c3ccccc3)c2[C@@H](c2ccc3c(c2)OCO3)N1c1ccccc1	ZINC000000860755	206211172	/nfs/dbraw/zinc/21/11/72/206211172.db2.gz	BVYIYNXVXUZVEO-HSZRJFAPSA-N	-1	3	395.418	4.555	40	0		GJABHM
COc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1[O-]	ZINC000409055807	533474233	/nfs/dbraw/zinc/47/42/33/533474233.db2.gz	FCDBXMQJWAHKCW-ZSOIEALJSA-N	-1	3	396.251	4.949	40	0		GJABHM
CCOc1cc(CNc2cccc(C)c2C)cc(I)c1[O-]	ZINC000409115225	528286931	/nfs/dbraw/zinc/28/69/31/528286931.db2.gz	JNHNGNLLGNVFDO-UHFFFAOYSA-N	-1	3	397.256	4.624	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)OC(C)(C)C)N2	ZINC000409362051	528595047	/nfs/dbraw/zinc/59/50/47/528595047.db2.gz	RSQHNRCEXYEWSP-BWACUDIHSA-N	-1	3	378.435	4.697	40	0		GJABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C(C)C	ZINC000223149976	570447193	/nfs/dbraw/zinc/44/71/93/570447193.db2.gz	CBVCSAJMZXESAL-UHFFFAOYSA-N	-1	3	398.322	4.690	40	0		GJABHM
CC(C)c1ccc([C@H]2c3c(ccc4ccccc43)Nc3[nH]c(=O)[n-]c(=O)c32)cc1	ZINC000004459134	570629852	/nfs/dbraw/zinc/62/98/52/570629852.db2.gz	BWKIEAVKQZWAFM-IBGZPJMESA-N	-1	3	383.451	4.577	40	0		GJABHM
COc1ccc(S(=O)(=O)[N-]CCC2CCCCCC2)c(Cl)c1Cl	ZINC000013613422	570762917	/nfs/dbraw/zinc/76/29/17/570762917.db2.gz	CLVDHPPSGADYQZ-UHFFFAOYSA-N	-1	3	380.337	4.641	40	0		GJABHM
Cc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc(Br)c1[O-]	ZINC000226243045	570935114	/nfs/dbraw/zinc/93/51/14/570935114.db2.gz	VUOARRIDCIEHHR-UHFFFAOYSA-N	-1	3	392.293	4.778	40	0		GJABHM
Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)cc(Br)c1[O-]	ZINC000226243064	570935276	/nfs/dbraw/zinc/93/52/76/570935276.db2.gz	HVEFSEKOGKRZHR-UHFFFAOYSA-N	-1	3	378.266	4.604	40	0		GJABHM
Cc1cc(NC(=O)C(Cl)(Cl)Cl)cc(-c2nc3ccccc3o2)c1[O-]	ZINC000070462009	570968002	/nfs/dbraw/zinc/96/80/02/570968002.db2.gz	ZOXUMNLHXXMYPZ-UHFFFAOYSA-N	-1	3	385.634	4.818	40	0		GJABHM
Cc1ccc(-n2cccc2/C=C2/[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)c1	ZINC000409095100	231159432	/nfs/dbraw/zinc/15/94/32/231159432.db2.gz	BKQYDBJYRTUPHL-CPNJWEJPSA-N	-1	3	391.858	4.845	40	0		GJABHM
COc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCc1cccc(C)c1	ZINC000016349353	210188885	/nfs/dbraw/zinc/18/88/85/210188885.db2.gz	HTDMAMVRNZMANM-UHFFFAOYSA-N	-1	3	391.467	4.571	40	0		GJABHM
Cc1cc([C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)ccn1	ZINC000257226197	212007901	/nfs/dbraw/zinc/00/79/01/212007901.db2.gz	FJORKDKVPBSLHG-SFHVURJKSA-N	-1	3	376.456	4.728	40	0		GJABHM
Cc1cccc(C2CCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)CC2)n1	ZINC000257202368	212001004	/nfs/dbraw/zinc/00/10/04/212001004.db2.gz	ALLNIOMBSXSQRM-UHFFFAOYSA-N	-1	3	376.456	4.728	40	0		GJABHM
CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c([O-])ccc5ccccc54)OCC[C@@]31C2	ZINC000257204488	206159697	/nfs/dbraw/zinc/15/96/97/206159697.db2.gz	AUVTVJOFYAKIBE-LIXQKFDISA-N	-1	3	393.527	4.954	40	0		GJABHM
CC(C)C(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(Cl)ccc4[O-])OCC[C@]13C2	ZINC000257307650	206175932	/nfs/dbraw/zinc/17/59/32/206175932.db2.gz	SZRLOHXGDRSJRB-NROQGZOISA-N	-1	3	391.939	4.700	40	0		GJABHM
CCc1ccc2nc(Nc3nc(-c4ccc(Cl)cc4)cc(=O)[n-]3)nc(C)c2c1	ZINC000020633974	210353228	/nfs/dbraw/zinc/35/32/28/210353228.db2.gz	RYFCRMWKWYBFTP-UHFFFAOYSA-N	-1	3	391.862	4.648	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)Cc1ccccc1)N2	ZINC000409361718	528595153	/nfs/dbraw/zinc/59/51/53/528595153.db2.gz	RDDPDCDZHVDHTA-QINHECLXSA-N	-1	3	396.453	4.531	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(C)cc1)N2	ZINC000409351011	528595223	/nfs/dbraw/zinc/59/52/23/528595223.db2.gz	VILRGOBYSMPHBN-GUXCAODWSA-N	-1	3	396.453	4.910	40	0		GJABHM
O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cc(Cl)ccc1[O-]	ZINC000408572580	570336244	/nfs/dbraw/zinc/33/62/44/570336244.db2.gz	KNPFCNJQLYURBU-DHZHZOJOSA-N	-1	3	398.871	4.832	40	0		GJABHM
COc1cccc2cc(C(=O)[N-]c3nnc(SCc4ccccc4)s3)oc21	ZINC000222683851	570420697	/nfs/dbraw/zinc/42/06/97/570420697.db2.gz	TVPNFUCVYNNQJN-UHFFFAOYSA-N	-1	3	397.481	4.838	40	0		GJABHM
CCCCc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(OCC)c2)cc1	ZINC000007360534	570423389	/nfs/dbraw/zinc/42/33/89/570423389.db2.gz	ADDPAKGKLCWCCP-UHFFFAOYSA-N	-1	3	377.506	4.627	40	0		GJABHM
CCc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)ccc1OC	ZINC000223680483	570478358	/nfs/dbraw/zinc/47/83/58/570478358.db2.gz	YXHYRUYQHGXOQM-UHFFFAOYSA-N	-1	3	397.496	4.637	40	0		GJABHM
O=c1c(Br)c(-c2ccccc2Br)[n-]c2ccccc21	ZINC000008581037	570534932	/nfs/dbraw/zinc/53/49/32/570534932.db2.gz	DQWCAAWSQOPNKW-UHFFFAOYSA-N	-1	3	379.051	4.720	40	0		GJABHM
COc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1[O-]	ZINC000006478655	570743572	/nfs/dbraw/zinc/74/35/72/570743572.db2.gz	UXEFBFZTANNMHJ-SXGWCWSVSA-N	-1	3	389.860	4.599	40	0		GJABHM
Cc1[nH]c2ccc(C)cc2c1CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl	ZINC000016807793	207078323	/nfs/dbraw/zinc/07/83/23/207078323.db2.gz	UWZCBCRQXXXXIH-UHFFFAOYSA-N	-1	3	397.327	4.613	40	0		GJABHM
O=C1O[C@@](c2ccccc2)(c2cc(Br)ccc2[O-])c2ccccc21	ZINC000016969483	207081390	/nfs/dbraw/zinc/08/13/90/207081390.db2.gz	WPSPHXZZWGJJQK-HXUWFJFHSA-N	-1	3	381.225	4.617	40	0		GJABHM
CCOc1cc(CNc2cc(C)ccc2C)cc(I)c1[O-]	ZINC000409122394	528284790	/nfs/dbraw/zinc/28/47/90/528284790.db2.gz	XWHYJLZNWGPYFH-UHFFFAOYSA-N	-1	3	397.256	4.624	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1cccc(C)c1)N2	ZINC000409349511	528594932	/nfs/dbraw/zinc/59/49/32/528594932.db2.gz	UAPNWCKVYBDFJC-GUXCAODWSA-N	-1	3	396.453	4.910	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)OC(C)(C)C)N2	ZINC000409362054	528595008	/nfs/dbraw/zinc/59/50/08/528595008.db2.gz	RSQHNRCEXYEWSP-PEBVRCNWSA-N	-1	3	378.435	4.697	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccccc1)N2	ZINC000409360559	528595335	/nfs/dbraw/zinc/59/53/35/528595335.db2.gz	QWOKBOMDUCQVGN-VCBZYWHSSA-N	-1	3	382.426	4.602	40	0		GJABHM
[O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1	ZINC000224591029	570519418	/nfs/dbraw/zinc/51/94/18/570519418.db2.gz	PTFQZJUQRAPCPG-SJORKVTESA-N	-1	3	387.917	4.679	40	0		GJABHM
[O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccs1	ZINC000224858837	570534635	/nfs/dbraw/zinc/53/46/35/570534635.db2.gz	BBFFMCCYXCJKFC-IAGOWNOFSA-N	-1	3	387.917	4.679	40	0		GJABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(C)ccc3C)cc2)cc1	ZINC000225052224	570545415	/nfs/dbraw/zinc/54/54/15/570545415.db2.gz	QKUMZEQKUHJILF-UHFFFAOYSA-N	-1	3	394.496	4.665	40	0		GJABHM
CC(C)c1ccc([C@@H]2CC(=O)c3c[n-]c4nn(-c5ccccc5)c(=O)c-4c3C2)cc1	ZINC000014163899	570878929	/nfs/dbraw/zinc/87/89/29/570878929.db2.gz	ILZOXXQMTJLPNB-SFHVURJKSA-N	-1	3	397.478	4.750	40	0		GJABHM
CCCCOc1ccc(C(=O)Nc2cc(C)c([O-])c(Br)c2)cc1	ZINC000226242738	222704805	/nfs/dbraw/zinc/70/48/05/222704805.db2.gz	FEMJPLZULSRCCI-UHFFFAOYSA-N	-1	3	378.266	4.894	40	0		GJABHM
Cc1cc(C)c(OCC(=O)Nc2cc(C)c([O-])c(Br)c2)c(Cl)c1	ZINC000226243280	222704919	/nfs/dbraw/zinc/70/49/19/222704919.db2.gz	DEYAQKRWYJQBMW-UHFFFAOYSA-N	-1	3	398.684	4.751	40	0		GJABHM
O=C1c2[n-]nc(-c3ccccc3)c2[C@H](c2ccc3c(c2)OCO3)N1c1ccccc1	ZINC000000860754	209113737	/nfs/dbraw/zinc/11/37/37/209113737.db2.gz	BVYIYNXVXUZVEO-QHCPKHFHSA-N	-1	3	395.418	4.555	40	0		GJABHM
O=C1c2n[n-]c(-c3ccccc3)c2[C@H](c2ccc3c(c2)OCO3)N1c1ccccc1	ZINC000000860754	209113743	/nfs/dbraw/zinc/11/37/43/209113743.db2.gz	BVYIYNXVXUZVEO-QHCPKHFHSA-N	-1	3	395.418	4.555	40	0		GJABHM
O=C1S/C(=C/c2cc(Br)ccc2[O-])C(=O)N1CC1CCCCC1	ZINC000409144513	534822641	/nfs/dbraw/zinc/82/26/41/534822641.db2.gz	FWJGWLKHRPAJTG-OQLLNIDSSA-N	-1	3	396.306	4.771	40	0		GJABHM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C	ZINC000408623736	527025573	/nfs/dbraw/zinc/02/55/73/527025573.db2.gz	PPMPKJNHIDQJQH-UHFFFAOYSA-N	-1	3	396.468	4.547	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1cccc(C)c1)N2	ZINC000409349513	528595021	/nfs/dbraw/zinc/59/50/21/528595021.db2.gz	UAPNWCKVYBDFJC-JXXFODFXSA-N	-1	3	396.453	4.910	40	0		GJABHM
COc1ccc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)ccc2c1	ZINC000224422324	570512852	/nfs/dbraw/zinc/51/28/52/570512852.db2.gz	CDGXHSCPWSNPRY-UHFFFAOYSA-N	-1	3	382.268	4.956	40	0		GJABHM
CC(C)c1ccc([C@@H]2c3c(ccc4ccccc43)Nc3[nH]c(=O)[n-]c(=O)c32)cc1	ZINC000004459129	570629758	/nfs/dbraw/zinc/62/97/58/570629758.db2.gz	BWKIEAVKQZWAFM-LJQANCHMSA-N	-1	3	383.451	4.577	40	0		GJABHM
O=C1[N-]C(=Cc2ccc(-c3cccc(F)c3)o2)C(=O)N1c1cccc(Cl)c1	ZINC000409088242	231157100	/nfs/dbraw/zinc/15/71/00/231157100.db2.gz	KNNKPMUODAMUFG-GZTJUZNOSA-N	-1	3	382.778	4.836	40	0		GJABHM
Cc1nc(-c2ccc(Cl)cc2)c(Cc2c(O)ccc3ccccc32)c(=O)[n-]1	ZINC000009636194	206794770	/nfs/dbraw/zinc/79/47/70/206794770.db2.gz	XINUDILKPFEHTM-UHFFFAOYSA-N	-1	3	376.843	4.848	40	0		GJABHM
Cc1ccc(-c2n[n-]c3c2[C@@H](c2ccccc2)N(c2ccc(O)cc2)C3=O)cc1	ZINC000078547162	208064796	/nfs/dbraw/zinc/06/47/96/208064796.db2.gz	AEPWKCPPMQLIPX-HSZRJFAPSA-N	-1	3	381.435	4.841	40	0		GJABHM
Cc1ccc(-c2[n-]nc3c2[C@@H](c2ccccc2)N(c2ccc(O)cc2)C3=O)cc1	ZINC000078547162	208064804	/nfs/dbraw/zinc/06/48/04/208064804.db2.gz	AEPWKCPPMQLIPX-HSZRJFAPSA-N	-1	3	381.435	4.841	40	0		GJABHM
Cc1cccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2([O-])C(F)(F)F)c1	ZINC000409098880	534599304	/nfs/dbraw/zinc/59/93/04/534599304.db2.gz	MMYMTVGUTJAJTP-KHYOSLBOSA-N	-1	3	382.426	4.520	40	0		GJABHM
CC[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(Cl)c(C)c1)N2	ZINC000409183019	529266891	/nfs/dbraw/zinc/26/68/91/529266891.db2.gz	RJMZRRHAKNHWPS-NDGTYSDOSA-N	-1	3	388.817	4.537	40	0		GJABHM
COc1ccc(S(=O)(=O)[N-]Cc2cccc3ccccc32)c(Cl)c1Cl	ZINC000222846097	570428705	/nfs/dbraw/zinc/42/87/05/570428705.db2.gz	ZYDALHCUGXGOFO-UHFFFAOYSA-N	-1	3	396.295	4.634	40	0		GJABHM
O=S(=O)(Cc1c(F)cccc1Cl)[N-]c1ccc2c3c(cccc31)CC2	ZINC000224182512	570502558	/nfs/dbraw/zinc/50/25/58/570502558.db2.gz	PJRDGAVGRZUKLL-UHFFFAOYSA-N	-1	3	375.852	4.673	40	0		GJABHM
COc1ccc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)ccc2c1	ZINC000224253898	570506048	/nfs/dbraw/zinc/50/60/48/570506048.db2.gz	XAAYJTJPRMENEB-UHFFFAOYSA-N	-1	3	382.268	4.956	40	0		GJABHM
Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1	ZINC000224858618	570534627	/nfs/dbraw/zinc/53/46/27/570534627.db2.gz	KGZVTTAOAQWORR-ZWKOTPCHSA-N	-1	3	385.876	4.519	40	0		GJABHM
O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@@H](Cc3nccs3)C2)o1	ZINC000257334122	570783442	/nfs/dbraw/zinc/78/34/42/570783442.db2.gz	YEQPNWUJCGXYAT-HNNXBMFYSA-N	-1	3	382.485	4.556	40	0		GJABHM
O=c1cc(-c2ccc(Cl)cc2)nc(Nc2nc(-c3ccccc3)cs2)[n-]1	ZINC000019819619	207164483	/nfs/dbraw/zinc/16/44/83/207164483.db2.gz	RYWNZGLNCISMHY-UHFFFAOYSA-N	-1	3	380.860	4.957	40	0		GJABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1C(C)C	ZINC000224637225	208929957	/nfs/dbraw/zinc/92/99/57/208929957.db2.gz	HKTQJQKVZCWXMN-UHFFFAOYSA-N	-1	3	396.512	4.605	40	0		GJABHM
CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCC[C@@H](C)C3)c([O-])n2n1	ZINC000016690027	221368808	/nfs/dbraw/zinc/36/88/08/221368808.db2.gz	KZWOSCALJJBUOD-MLGOLLRUSA-N	-1	3	390.940	4.534	40	0		GJABHM
Cc1csc(C2CCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)CC2)n1	ZINC000257302823	209070180	/nfs/dbraw/zinc/07/01/80/209070180.db2.gz	SEQCRCZYVUORKF-UHFFFAOYSA-N	-1	3	382.485	4.789	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(C)cc1)N2	ZINC000409351010	528595195	/nfs/dbraw/zinc/59/51/95/528595195.db2.gz	VILRGOBYSMPHBN-GQIGUUNPSA-N	-1	3	396.453	4.910	40	0		GJABHM
CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1cc(C(C)C)on1	ZINC000006818576	570495478	/nfs/dbraw/zinc/49/54/78/570495478.db2.gz	KPQYQFSHICQKHD-UHFFFAOYSA-N	-1	3	384.457	4.956	40	0		GJABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c(C)c1	ZINC000224812465	570531760	/nfs/dbraw/zinc/53/17/60/570531760.db2.gz	FYHLTRDEBHOAOU-UHFFFAOYSA-N	-1	3	393.814	4.785	40	0		GJABHM
COc1ccc2cc(S(=O)(=O)[N-]c3ccc(N4CCCCC4)cc3)ccc2c1	ZINC000224979528	570541470	/nfs/dbraw/zinc/54/14/70/570541470.db2.gz	IVKSLQIUKNBFFX-UHFFFAOYSA-N	-1	3	396.512	4.640	40	0		GJABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3C)cc2)cc1	ZINC000225056294	570545665	/nfs/dbraw/zinc/54/56/65/570545665.db2.gz	DKACJHAVWYEWJR-UHFFFAOYSA-N	-1	3	394.496	4.665	40	0		GJABHM
O=S(=O)([N-]CCSc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl	ZINC000409027578	570694496	/nfs/dbraw/zinc/69/44/96/570694496.db2.gz	MCBPHKVGRBRSCI-UHFFFAOYSA-N	-1	3	396.748	4.717	40	0		GJABHM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1	ZINC000006270170	570740442	/nfs/dbraw/zinc/74/04/42/570740442.db2.gz	KIJAGGVGNPVTJY-UHFFFAOYSA-N	-1	3	394.496	4.665	40	0		GJABHM
Cc1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2([O-])C(F)(F)F)cc1	ZINC000409097254	231159066	/nfs/dbraw/zinc/15/90/66/231159066.db2.gz	MXIKOOFOISRKOL-DOXZYTNZSA-N	-1	3	382.426	4.520	40	0		GJABHM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cc(C)c(C)cc1C	ZINC000022540357	207257103	/nfs/dbraw/zinc/25/71/03/207257103.db2.gz	KIIYDIGWIFYEOC-HNNXBMFYSA-N	-1	3	381.925	4.703	40	0		GJABHM
COc1cc2sc([N-]C(=O)c3ncoc3-c3cccs3)nc2cc1Cl	ZINC000012115130	221152276	/nfs/dbraw/zinc/15/22/76/221152276.db2.gz	DFZGQCFNCWZJJH-UHFFFAOYSA-N	-1	3	391.861	4.927	40	0		GJABHM
CCOc1ccccc1-n1c(COc2cccc3ccccc32)n[n-]c1=S	ZINC000013535096	221272284	/nfs/dbraw/zinc/27/22/84/221272284.db2.gz	KSOJKXZXKWFRLT-UHFFFAOYSA-N	-1	3	377.469	4.687	40	0		GJABHM
O=C([O-])c1ccc(CNCc2cccc(OCc3ccc(Cl)cc3)c2)cc1	ZINC000016399555	221361978	/nfs/dbraw/zinc/36/19/78/221361978.db2.gz	JOMJHPXBKUPPMW-UHFFFAOYSA-N	-1	3	381.859	4.907	40	0		GJABHM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl	ZINC000408556648	528473972	/nfs/dbraw/zinc/47/39/72/528473972.db2.gz	IWVDXQDYJQPIMA-UHFFFAOYSA-N	-1	3	380.680	4.846	40	0		GJABHM
CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1	ZINC000224110721	570499162	/nfs/dbraw/zinc/49/91/62/570499162.db2.gz	YGNRTUJOUOPLJJ-UHFFFAOYSA-N	-1	3	394.452	4.600	40	0		GJABHM
Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C)c([O-])c(Br)c2)c1	ZINC000226243158	570935086	/nfs/dbraw/zinc/93/50/86/570935086.db2.gz	LUSLRQJHRBUPTK-UHFFFAOYSA-N	-1	3	392.293	4.912	40	0		GJABHM
COc1ccc(S(=O)(=O)[N-][C@H](C)c2cc(C)ccc2C)c(Cl)c1Cl	ZINC000010543889	230875128	/nfs/dbraw/zinc/87/51/28/230875128.db2.gz	DOUMLGJCHQVANT-GFCCVEGCSA-N	-1	3	388.316	4.658	40	0		GJABHM
CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)ccc21	ZINC000408593620	231071794	/nfs/dbraw/zinc/07/17/94/231071794.db2.gz	MSCPJTNJBRADFH-UHFFFAOYSA-N	-1	3	394.496	4.932	40	0		GJABHM
O=C(NC(=S)Nc1cc(Cl)ccc1[O-])c1cccc2c(Cl)cccc12	ZINC000408622903	231083942	/nfs/dbraw/zinc/08/39/42/231083942.db2.gz	QELGJGZJFMQYHS-UHFFFAOYSA-N	-1	3	391.279	4.979	40	0		GJABHM
COC(=O)c1cccc2oc(-c3cccc4oc(-c5ccccc5[O-])nc43)nc21	ZINC000000598610	206260910	/nfs/dbraw/zinc/26/09/10/206260910.db2.gz	NGKIDJMAXLRJRL-UHFFFAOYSA-N	-1	3	386.363	4.795	40	0	biogenic,in-vitro	GJABHM
O=C([O-])c1ccc(CNCc2cccc(OCc3ccccc3Cl)c2)cc1	ZINC000016450071	221363979	/nfs/dbraw/zinc/36/39/79/221363979.db2.gz	LYKQHLLNHIYMOK-UHFFFAOYSA-N	-1	3	381.859	4.907	40	0		GJABHM
COc1c(F)c(F)c(C(=O)[N-]c2nc3c(s2)c(C)ccc3C)c(F)c1F	ZINC000408622683	533427168	/nfs/dbraw/zinc/42/71/68/533427168.db2.gz	QNPKGCHVFFKLAP-UHFFFAOYSA-N	-1	3	384.354	4.730	40	0		GJABHM
O=C1S/C(=C\c2cc(Cl)ccc2[O-])C(=O)N1Cc1ccc(Cl)cc1	ZINC000106685986	534823924	/nfs/dbraw/zinc/82/39/24/534823924.db2.gz	TVAXGUAZHIOVBE-NVNXTCNLSA-N	-1	3	380.252	4.936	40	0		GJABHM
CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)CCc1ccccc1)N2	ZINC000409105388	526648587	/nfs/dbraw/zinc/64/85/87/526648587.db2.gz	NCRHBDJJDPWNGO-JXXFODFXSA-N	-1	3	396.453	4.531	40	0		GJABHM
CCCCC(=O)NC(=S)Nc1ccc([O-])c(-c2nc3cc(CC)ccc3o2)c1	ZINC000408628894	528088135	/nfs/dbraw/zinc/08/81/35/528088135.db2.gz	XRRHZYMJEGZROI-UHFFFAOYSA-N	-1	3	397.500	4.766	40	0		GJABHM
CCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Cl)c(C)c2)N1	ZINC000409179450	528113391	/nfs/dbraw/zinc/11/33/91/528113391.db2.gz	NXISAGYUTNQBGU-INIZCTEOSA-N	-1	3	376.806	4.682	40	0		GJABHM
CCOc1cc(-c2nc3ccccc3c(=O)[n-]2)cc(Br)c1OCC	ZINC000575410905	570302512	/nfs/dbraw/zinc/30/25/12/570302512.db2.gz	KZBUMLYAFALJQI-UHFFFAOYSA-N	-1	3	389.249	4.562	40	0		GJABHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4cccc(C)c4[nH]3)cc2)cc1	ZINC000005557781	570445827	/nfs/dbraw/zinc/44/58/27/570445827.db2.gz	KZVUWTZORUFZAS-UHFFFAOYSA-N	-1	3	377.469	4.648	40	0		GJABHM
CCOc1ccc2nc([N-]C(=O)c3c(F)c(F)c(F)c(F)c3F)sc2c1	ZINC000006048408	570464892	/nfs/dbraw/zinc/46/48/92/570464892.db2.gz	BDIPQGYIXMVNHL-UHFFFAOYSA-N	-1	3	388.317	4.643	40	0		GJABHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1	ZINC000008833500	570542466	/nfs/dbraw/zinc/54/24/66/570542466.db2.gz	AWRCXUINJCVXDO-UHFFFAOYSA-N	-1	3	377.469	4.648	40	0		GJABHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1	ZINC000008833500	570542470	/nfs/dbraw/zinc/54/24/70/570542470.db2.gz	AWRCXUINJCVXDO-UHFFFAOYSA-N	-1	3	377.469	4.648	40	0		GJABHM
CCc1ccc2nc(Nc3nc(-c4ccccc4Cl)cc(=O)[n-]3)nc(C)c2c1	ZINC000010157423	570566180	/nfs/dbraw/zinc/56/61/80/570566180.db2.gz	WYJDLZBQBJSEMD-UHFFFAOYSA-N	-1	3	391.862	4.648	40	0		GJABHM
Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)n1	ZINC000047318136	570653614	/nfs/dbraw/zinc/65/36/14/570653614.db2.gz	MIAFKPNHEQPPLO-UHFFFAOYSA-N	-1	3	381.435	4.665	40	0		GJABHM
CCCCc1ccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)cc1	ZINC000019937694	207171374	/nfs/dbraw/zinc/17/13/74/207171374.db2.gz	PZAIJRUTQPNSAK-UHFFFAOYSA-N	-1	3	395.890	4.614	40	0		GJABHM
Cc1nnc([N-]c2cccc(C3CCN(Cc4ccc(F)cc4)CC3)n2)s1	ZINC000072376125	222243352	/nfs/dbraw/zinc/24/33/52/222243352.db2.gz	PXDVIBYVBNOZQT-UHFFFAOYSA-N	-1	3	383.496	4.504	40	0		GJABHM
Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2cc(Cl)ccc2[O-])S1	ZINC000408803548	533785543	/nfs/dbraw/zinc/78/55/43/533785543.db2.gz	QIQIJXPAXLTAMI-UHFFFAOYSA-N	-1	3	380.276	4.770	40	0		GJABHM
Cc1cc2nc(-c3cc(NC(=S)NC(=O)CC(C)C)ccc3[O-])oc2c(C)c1	ZINC000408624178	534129229	/nfs/dbraw/zinc/12/92/29/534129229.db2.gz	BJVXKZGMLOYBAT-UHFFFAOYSA-N	-1	3	397.500	4.676	40	0		GJABHM
Cc1ccccc1-n1cccc1/C=C1/[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000409242882	534793099	/nfs/dbraw/zinc/79/30/99/534793099.db2.gz	PMAVUYBXKQCPHN-QGOAFFKASA-N	-1	3	377.831	4.536	40	0		GJABHM
CC[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(Cl)c(C)c1)N2	ZINC000409183017	529266716	/nfs/dbraw/zinc/26/67/16/529266716.db2.gz	RJMZRRHAKNHWPS-BTJLNZGRSA-N	-1	3	388.817	4.537	40	0		GJABHM
CC(C)(c1ccc([O-])c(Br)c1)c1ccc(O)c(Br)c1	ZINC000004654861	560199335	/nfs/dbraw/zinc/19/93/35/560199335.db2.gz	CKNCVRMXCLUOJI-UHFFFAOYSA-N	-1	3	386.083	4.949	40	0	in-vitro	GJABHM
COc1cc(C(=O)O[C@@H]2C/C(C)=C/CC/C(C)=C/[C@@H](O)[C@H]2C(C)C)ccc1[O-]	ZINC000005638790	570271915	/nfs/dbraw/zinc/27/19/15/570271915.db2.gz	OLJDCWYDXLXFJK-XWMLLJCFSA-N	-1	3	388.504	4.636	40	0		GJABHM
CSCC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000034194593	570531973	/nfs/dbraw/zinc/53/19/73/570531973.db2.gz	RHTIVPPVTDQTCL-QFIPXVFZSA-N	-1	3	391.536	4.774	40	0		GJABHM
CC(C)C(=O)N[C@@]1(C)C[C@H](c2cc(F)ccc2[O-])O[C@H](c2ccc(F)cc2)C1	ZINC000257199931	209054555	/nfs/dbraw/zinc/05/45/55/209054555.db2.gz	ABIBYSJLQJKQSM-TUNNFDKTSA-N	-1	3	389.442	4.794	40	0		GJABHM
CCOc1cc(CNc2ccc(C)cc2C)cc(I)c1[O-]	ZINC000409110818	528285573	/nfs/dbraw/zinc/28/55/73/528285573.db2.gz	AFWZITZFRVUZSW-UHFFFAOYSA-N	-1	3	397.256	4.624	40	0		GJABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1Cl	ZINC000408587383	528587698	/nfs/dbraw/zinc/58/76/98/528587698.db2.gz	UNSSBESDLWXDSR-UHFFFAOYSA-N	-1	3	380.680	4.846	40	0		GJABHM
CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1Cl	ZINC000408585665	528589156	/nfs/dbraw/zinc/58/91/56/528589156.db2.gz	HYLJFYPGGDVYFF-UHFFFAOYSA-N	-1	3	380.680	4.846	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)Cc1ccccc1)N2	ZINC000409361704	528594938	/nfs/dbraw/zinc/59/49/38/528594938.db2.gz	RDDPDCDZHVDHTA-GUXCAODWSA-N	-1	3	396.453	4.531	40	0		GJABHM
COc1cc(C(=O)O[C@@H]2C/C(C)=C/CC/C(C)=C/[C@H](O)[C@H]2C(C)C)ccc1[O-]	ZINC000005638784	570271852	/nfs/dbraw/zinc/27/18/52/570271852.db2.gz	OLJDCWYDXLXFJK-YYTTYREGSA-N	-1	3	388.504	4.636	40	0		GJABHM
COc1c(F)c(F)c(C(=O)[N-]c2nc3c(cc(C)cc3C)s2)c(F)c1F	ZINC000408619968	570365002	/nfs/dbraw/zinc/36/50/02/570365002.db2.gz	FEJYTMDNANJYLK-UHFFFAOYSA-N	-1	3	384.354	4.730	40	0		GJABHM
Cc1cc2nc(-c3cc(NC(=S)NC(=O)C(C)(C)C)ccc3[O-])oc2c(C)c1	ZINC000408629125	570381327	/nfs/dbraw/zinc/38/13/27/570381327.db2.gz	ZQUAZLMOKWKCPT-UHFFFAOYSA-N	-1	3	397.500	4.676	40	0		GJABHM
CCCCc1nc(Cl)cn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000035644898	570406138	/nfs/dbraw/zinc/40/61/38/570406138.db2.gz	QUIJTMPWWMXUEY-UHFFFAOYSA-N	-1	3	392.894	4.775	40	0	in-vitro	GJABHM
CCCCc1nc(Cl)cn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000035644898	570406139	/nfs/dbraw/zinc/40/61/39/570406139.db2.gz	QUIJTMPWWMXUEY-UHFFFAOYSA-N	-1	3	392.894	4.775	40	0	in-vitro	GJABHM
CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1	ZINC000224598732	570520115	/nfs/dbraw/zinc/52/01/15/570520115.db2.gz	KDSJZYOPDAXMHD-VQTJNVASSA-N	-1	3	392.528	4.521	40	0		GJABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1C	ZINC000224740140	570528317	/nfs/dbraw/zinc/52/83/17/570528317.db2.gz	SJZYUPWSAZKGHT-UHFFFAOYSA-N	-1	3	397.496	4.692	40	0		GJABHM
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)[nH]1	ZINC000224860769	570534651	/nfs/dbraw/zinc/53/46/51/570534651.db2.gz	FIAJJZUUHYFSLD-RBUKOAKNSA-N	-1	3	398.919	4.563	40	0		GJABHM
Cc1ccnc([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)n1	ZINC000257231060	570765003	/nfs/dbraw/zinc/76/50/03/570765003.db2.gz	GFAWQDASKYEMQW-HXUWFJFHSA-N	-1	3	387.483	4.530	40	0		GJABHM
CCOc1ccc(Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[n-]2)cc1	ZINC000009264705	570775394	/nfs/dbraw/zinc/77/53/94/570775394.db2.gz	CQWQBUQXUSEJJU-UHFFFAOYSA-N	-1	3	387.892	4.858	40	0		GJABHM
Cc1cc(=O)cc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)[O-])cc2)[nH]1	ZINC000257325164	570781992	/nfs/dbraw/zinc/78/19/92/570781992.db2.gz	WRSUXZLKIYXVBZ-QHCPKHFHSA-N	-1	3	388.467	4.798	40	0		GJABHM
COc1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccccc2)cc1	ZINC000066088127	209136581	/nfs/dbraw/zinc/13/65/81/209136581.db2.gz	LTJRYNOMBCRXMF-HSZRJFAPSA-N	-1	3	381.435	4.835	40	0		GJABHM
COc1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccccc2)cc1	ZINC000066088127	209136585	/nfs/dbraw/zinc/13/65/85/209136585.db2.gz	LTJRYNOMBCRXMF-HSZRJFAPSA-N	-1	3	381.435	4.835	40	0		GJABHM
CCSc1ccccc1[N-]S(=O)(=O)Cc1ccc(Br)cc1	ZINC000020048082	207175516	/nfs/dbraw/zinc/17/55/16/207175516.db2.gz	HPTOBQOYHIBYFJ-UHFFFAOYSA-N	-1	3	386.336	4.503	40	0		GJABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1C	ZINC000408557781	528589181	/nfs/dbraw/zinc/58/91/81/528589181.db2.gz	NZPYFQAZEUSXPD-UHFFFAOYSA-N	-1	3	397.496	4.774	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccccc1)N2	ZINC000409360556	528594791	/nfs/dbraw/zinc/59/47/91/528594791.db2.gz	QWOKBOMDUCQVGN-SPYBWZPUSA-N	-1	3	382.426	4.602	40	0		GJABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1C(C)C	ZINC000223654418	570477117	/nfs/dbraw/zinc/47/71/17/570477117.db2.gz	DCDMWSRZAOLAAS-UHFFFAOYSA-N	-1	3	389.517	4.941	40	0		GJABHM
Cc1ccnc([C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)n1	ZINC000257231059	570765223	/nfs/dbraw/zinc/76/52/23/570765223.db2.gz	GFAWQDASKYEMQW-FQEVSTJZSA-N	-1	3	387.483	4.530	40	0		GJABHM
O=C1O[C@](c2ccccc2)(c2cc(Br)ccc2[O-])c2ccccc21	ZINC000004692306	570897408	/nfs/dbraw/zinc/89/74/08/570897408.db2.gz	WPSPHXZZWGJJQK-FQEVSTJZSA-N	-1	3	381.225	4.617	40	0		GJABHM
COc1cc(C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@H](O)[C@@H]2C(C)C)ccc1[O-]	ZINC000005382322	570940090	/nfs/dbraw/zinc/94/00/90/570940090.db2.gz	OLJDCWYDXLXFJK-COKJDNMNSA-N	-1	3	388.504	4.636	40	0		GJABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1C	ZINC000408604197	231076216	/nfs/dbraw/zinc/07/62/16/231076216.db2.gz	HSAAKSVKIHLBMZ-UHFFFAOYSA-N	-1	3	394.496	4.665	40	0		GJABHM
Cc1ccc(C(=O)N2NC(C3CCCCC3)=C[C@@]2([O-])C(F)(F)F)cc1Cl	ZINC000409094562	231159186	/nfs/dbraw/zinc/15/91/86/231159186.db2.gz	FRTVDLYQBUCMTD-QGZVFWFLSA-N	-1	3	388.817	4.682	40	0		GJABHM
Cc1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2([O-])C(F)(F)F)cc1	ZINC000409097273	231159530	/nfs/dbraw/zinc/15/95/30/231159530.db2.gz	MXIKOOFOISRKOL-YZVOILCLSA-N	-1	3	382.426	4.520	40	0		GJABHM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1	ZINC000013997971	207007344	/nfs/dbraw/zinc/00/73/44/207007344.db2.gz	XFZVMNLTDZXSAK-UHFFFAOYSA-N	-1	3	386.517	4.623	40	0		GJABHM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(SC)cc1	ZINC000020029965	207174921	/nfs/dbraw/zinc/17/49/21/207174921.db2.gz	RLIGNHXQIJWINF-LBPRGKRZSA-N	-1	3	385.938	4.500	40	0		GJABHM
Cc1cccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2([O-])C(F)(F)F)c1	ZINC000409098878	534599037	/nfs/dbraw/zinc/59/90/37/534599037.db2.gz	MMYMTVGUTJAJTP-DOXZYTNZSA-N	-1	3	382.426	4.520	40	0		GJABHM
CCCc1cc(C(=O)[N-]c2scc(-c3ccccc3)c2C(=O)OCC)no1	ZINC000004881249	570415135	/nfs/dbraw/zinc/41/51/35/570415135.db2.gz	WSQCBQSNUGITPQ-UHFFFAOYSA-N	-1	3	384.457	4.785	40	0		GJABHM
CCc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)ccc1OC	ZINC000223680405	570478393	/nfs/dbraw/zinc/47/83/93/570478393.db2.gz	ZKVKJTNUMCCUPJ-UHFFFAOYSA-N	-1	3	393.814	4.731	40	0		GJABHM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)C1CCCCC1	ZINC000224556690	570517983	/nfs/dbraw/zinc/51/79/83/570517983.db2.gz	KKQVIUSEDZZYMX-UHFFFAOYSA-N	-1	3	392.908	4.660	40	0		GJABHM
CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c([O-])ccc5ccccc54)OCC[C@]13C2	ZINC000257231198	570765262	/nfs/dbraw/zinc/76/52/62/570765262.db2.gz	GFRZNAKTPLHYLP-IZRMSOCCSA-N	-1	3	379.500	4.564	40	0		GJABHM
Cc1nccc([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)n1	ZINC000257256028	570770914	/nfs/dbraw/zinc/77/09/14/570770914.db2.gz	KJUKPDQUVMZRAK-HXUWFJFHSA-N	-1	3	387.483	4.530	40	0		GJABHM
COc1ccc(S(=O)(=O)[N-][C@@H](C)c2cc(C)ccc2C)c(Cl)c1Cl	ZINC000010543890	570791890	/nfs/dbraw/zinc/79/18/90/570791890.db2.gz	DOUMLGJCHQVANT-LBPRGKRZSA-N	-1	3	388.316	4.658	40	0		GJABHM
CC(C)c1ccc([C@H]2CC(=O)c3c[n-]c4nn(-c5ccccc5)c(=O)c-4c3C2)cc1	ZINC000014163903	570878824	/nfs/dbraw/zinc/87/88/24/570878824.db2.gz	ILZOXXQMTJLPNB-GOSISDBHSA-N	-1	3	397.478	4.750	40	0		GJABHM
Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2cc(Cl)ccc2[O-])S1	ZINC000408803065	231115251	/nfs/dbraw/zinc/11/52/51/231115251.db2.gz	KWZPYZYHRNCPBB-UHFFFAOYSA-N	-1	3	380.276	4.770	40	0		GJABHM
COc1cc2c(cc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl)CCCC2	ZINC000223178180	222626998	/nfs/dbraw/zinc/62/69/98/222626998.db2.gz	PZAJSZHGEQNCJM-UHFFFAOYSA-N	-1	3	386.300	4.682	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(C)cc1)N2	ZINC000409351016	528594912	/nfs/dbraw/zinc/59/49/12/528594912.db2.gz	VILRGOBYSMPHBN-QINHECLXSA-N	-1	3	396.453	4.910	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)OC(C)(C)C)N2	ZINC000409362063	528595162	/nfs/dbraw/zinc/59/51/62/528595162.db2.gz	RSQHNRCEXYEWSP-QFSBIZTOSA-N	-1	3	378.435	4.697	40	0		GJABHM
CCCCC(=O)NC(=S)Nc1ccc([O-])c(-c2nc3cc(C)cc(C)c3o2)c1	ZINC000408627570	570379920	/nfs/dbraw/zinc/37/99/20/570379920.db2.gz	LUEPAVWIHSPPEQ-UHFFFAOYSA-N	-1	3	397.500	4.820	40	0		GJABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C(C)(C)C)cc1	ZINC000224553888	570518030	/nfs/dbraw/zinc/51/80/30/570518030.db2.gz	WEGVKIISJXYSKH-ZDUSSCGKSA-N	-1	3	381.925	4.686	40	0		GJABHM
[O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1	ZINC000224590985	570519386	/nfs/dbraw/zinc/51/93/86/570519386.db2.gz	PTFQZJUQRAPCPG-IRXDYDNUSA-N	-1	3	387.917	4.679	40	0		GJABHM
[O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccs1	ZINC000224858797	570534748	/nfs/dbraw/zinc/53/47/48/570534748.db2.gz	BBFFMCCYXCJKFC-DLBZAZTESA-N	-1	3	387.917	4.679	40	0		GJABHM
Cc1ccc([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)nc1	ZINC000257228957	570764604	/nfs/dbraw/zinc/76/46/04/570764604.db2.gz	FVZRLSWXFSZKRX-QGZVFWFLSA-N	-1	3	376.456	4.728	40	0		GJABHM
Cc1ccc([C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)nc1	ZINC000257228956	570764707	/nfs/dbraw/zinc/76/47/07/570764707.db2.gz	FVZRLSWXFSZKRX-KRWDZBQOSA-N	-1	3	376.456	4.728	40	0		GJABHM
Cc1nccc([C@H]2CCCCN2Cc2ccc(-c3ccccc3C(=O)[O-])cc2)n1	ZINC000257243186	570769064	/nfs/dbraw/zinc/76/90/64/570769064.db2.gz	IFVFGDVCHHGONN-HSZRJFAPSA-N	-1	3	387.483	4.877	40	0		GJABHM
O=S(=O)([N-]c1ccc(OC2CCCC2)cc1)c1ccc(Br)cc1	ZINC000013671288	570861630	/nfs/dbraw/zinc/86/16/30/570861630.db2.gz	PPIZUHNWABFJBG-UHFFFAOYSA-N	-1	3	396.306	4.571	40	0		GJABHM
Cc1csc([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)n1	ZINC000585177731	570999490	/nfs/dbraw/zinc/99/94/90/570999490.db2.gz	AOGYYXADQSHECB-OAHLLOKOSA-N	-1	3	382.485	4.789	40	0		GJABHM
O=C1[N-]C(=Cc2ccc(-c3ccc(F)cc3)o2)C(=O)N1c1cccc(Cl)c1	ZINC000409070754	231154134	/nfs/dbraw/zinc/15/41/34/231154134.db2.gz	GRHPYCNMJDJXBL-GZTJUZNOSA-N	-1	3	382.778	4.836	40	0		GJABHM
Cc1ccc(-n2cccc2/C=C2/[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1C	ZINC000409075963	231155364	/nfs/dbraw/zinc/15/53/64/231155364.db2.gz	ZLWOKBFQVIKVJV-DEDYPNTBSA-N	-1	3	391.858	4.845	40	0		GJABHM
COc1cc([O-])c(-c2nc(C)nc(C(F)(F)F)c2-c2csc(C)n2)cc1C	ZINC000001084306	212215586	/nfs/dbraw/zinc/21/55/86/212215586.db2.gz	NMTPUMDMVVFLGZ-UHFFFAOYSA-N	-1	3	395.406	4.925	40	0		GJABHM
O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@H](Cc3nccs3)C2)cc1	ZINC000257318355	209074156	/nfs/dbraw/zinc/07/41/56/209074156.db2.gz	VNOGGYMDDDHELA-GOSISDBHSA-N	-1	3	392.524	4.963	40	0		GJABHM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl	ZINC000408558590	528474524	/nfs/dbraw/zinc/47/45/24/528474524.db2.gz	SCHHBEFMPQAABH-UHFFFAOYSA-N	-1	3	380.680	4.846	40	0		GJABHM
CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cc([O-])cnc32)CC1	ZINC000021981240	570300818	/nfs/dbraw/zinc/30/08/18/570300818.db2.gz	KCVVQHZYLIQAEG-UHFFFAOYSA-N	-1	3	398.890	4.593	40	0	in-vitro	GJABHM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cc3noc(C(C)C)n3)cc2)c(C)c1	ZINC000222975556	570434353	/nfs/dbraw/zinc/43/43/53/570434353.db2.gz	DMHGGYRIZZLIPV-UHFFFAOYSA-N	-1	3	399.516	4.510	40	0		GJABHM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1	ZINC000408601275	231074925	/nfs/dbraw/zinc/07/49/25/231074925.db2.gz	ARBQOFQZSGUYQG-UHFFFAOYSA-N	-1	3	394.496	4.665	40	0		GJABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)c(C)c1	ZINC000408604957	231076447	/nfs/dbraw/zinc/07/64/47/231076447.db2.gz	JHPPISWOLDNRSD-UHFFFAOYSA-N	-1	3	394.496	4.665	40	0		GJABHM
Cc1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2([O-])C(F)(F)F)cc1	ZINC000409097261	231159132	/nfs/dbraw/zinc/15/91/32/231159132.db2.gz	MXIKOOFOISRKOL-KHYOSLBOSA-N	-1	3	382.426	4.520	40	0		GJABHM
COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1[O-]	ZINC000106701578	533473759	/nfs/dbraw/zinc/47/37/59/533473759.db2.gz	CXXREDOYLBYTER-SXGWCWSVSA-N	-1	3	389.860	4.599	40	0		GJABHM
CC(C)C(=O)NC(=S)Nc1ccc([O-])c(-c2nc3cc(C(C)C)ccc3o2)c1	ZINC000408617483	527483970	/nfs/dbraw/zinc/48/39/70/527483970.db2.gz	ANRJPUYSHBGLNN-UHFFFAOYSA-N	-1	3	397.500	4.793	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)Cc1ccccc1)N2	ZINC000409361697	528595441	/nfs/dbraw/zinc/59/54/41/528595441.db2.gz	RDDPDCDZHVDHTA-GQIGUUNPSA-N	-1	3	396.453	4.531	40	0		GJABHM
CCOc1cc(-c2nc3ccccc3s2)cc(I)c1[O-]	ZINC000006958946	570402940	/nfs/dbraw/zinc/40/29/40/570402940.db2.gz	NMBXWLYJNPYKAF-UHFFFAOYSA-N	-1	3	397.237	4.672	40	0		GJABHM
CCCCC(=O)NC(=S)Nc1cc(C)c([O-])c(-c2nc3ccccc3s2)c1	ZINC000005946075	570462548	/nfs/dbraw/zinc/46/25/48/570462548.db2.gz	PFLYEBXBVUDYKK-UHFFFAOYSA-N	-1	3	399.541	4.981	40	0		GJABHM
Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4cc(C)ccc4C)[nH]c3c2)cc1	ZINC000006727906	570490678	/nfs/dbraw/zinc/49/06/78/570490678.db2.gz	ZSVMTKYRYNCVEH-UHFFFAOYSA-N	-1	3	391.496	4.956	40	0		GJABHM
Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1	ZINC000224858657	570534715	/nfs/dbraw/zinc/53/47/15/570534715.db2.gz	KGZVTTAOAQWORR-ROUUACIJSA-N	-1	3	385.876	4.519	40	0		GJABHM
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)[nH]1	ZINC000224860809	570534741	/nfs/dbraw/zinc/53/47/41/570534741.db2.gz	FIAJJZUUHYFSLD-OALUTQOASA-N	-1	3	398.919	4.563	40	0		GJABHM
COc1c(Cl)cc(Cl)cc1C(=O)[N-]c1c2nsnc2ccc1Cl	ZINC000059294522	570653517	/nfs/dbraw/zinc/65/35/17/570653517.db2.gz	AVXCBFNHTOCWGM-UHFFFAOYSA-N	-1	3	388.663	4.912	40	0		GJABHM
O=C(c1ccc([O-])cc1)N1CC[C@@H](Nc2ccccc2)[C@@H](Cc2ccccc2)C1	ZINC000257297400	570777354	/nfs/dbraw/zinc/77/73/54/570777354.db2.gz	RHCQYXCZMICUMO-XUZZJYLKSA-N	-1	3	386.495	4.578	40	0		GJABHM
Cc1cccc(-n2cccc2/C=C2/[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1C	ZINC000409108687	534566935	/nfs/dbraw/zinc/56/69/35/534566935.db2.gz	YNTXSQSTBBRQKR-CPNJWEJPSA-N	-1	3	391.858	4.845	40	0		GJABHM
O=C1[N-]C(=O)C(=Cc2cc(Br)c(Sc3ccccc3)o2)S1	ZINC000409002522	534784651	/nfs/dbraw/zinc/78/46/51/534784651.db2.gz	OGJRNAKBRWSHOE-YRNVUSSQSA-N	-1	3	382.260	4.517	40	0		GJABHM
CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1cc(C2CC2)on1	ZINC000004881232	570415090	/nfs/dbraw/zinc/41/50/90/570415090.db2.gz	IFTYJYMHYPYTPN-UHFFFAOYSA-N	-1	3	382.441	4.710	40	0		GJABHM
O=C([N-]c1nnc(-c2ccc(Cl)s2)o1)c1ccc(Br)s1	ZINC000002641602	570501882	/nfs/dbraw/zinc/50/18/82/570501882.db2.gz	GDXBVQHKQHYXHW-UHFFFAOYSA-N	-1	3	390.671	4.528	40	0		GJABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)cc1	ZINC000224530943	570516754	/nfs/dbraw/zinc/51/67/54/570516754.db2.gz	GKKFAUASESSUOP-UHFFFAOYSA-N	-1	3	397.525	4.605	40	0		GJABHM
Cc1nccc([C@@H]2CCCCN2Cc2ccc(-c3ccccc3C(=O)[O-])cc2)n1	ZINC000257243187	570769077	/nfs/dbraw/zinc/76/90/77/570769077.db2.gz	IFVFGDVCHHGONN-QHCPKHFHSA-N	-1	3	387.483	4.877	40	0		GJABHM
S=c1[n-]nc(COc2ccc(OCc3ccccc3)cc2)n1-c1ccccc1	ZINC000004618707	570987082	/nfs/dbraw/zinc/98/70/82/570987082.db2.gz	DLXFYLZAZIEITG-UHFFFAOYSA-N	-1	3	389.480	4.714	40	0		GJABHM
O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C(Cl)(Cl)Cl	ZINC000006244244	570997009	/nfs/dbraw/zinc/99/70/09/570997009.db2.gz	YDJPLZQRKYNLOT-UHFFFAOYSA-N	-1	3	387.675	4.978	40	0		GJABHM
O=C1[N-]C(=Cc2ccc(-c3ccc(F)cc3)o2)C(=O)N1c1ccc(Cl)cc1	ZINC000409230820	231184525	/nfs/dbraw/zinc/18/45/25/231184525.db2.gz	FYYVRCSJFCGSIO-GZTJUZNOSA-N	-1	3	382.778	4.836	40	0		GJABHM
CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)c2ccc([O-])cc2)CO[C@H]1c1ccc(F)cc1	ZINC000257222405	209057578	/nfs/dbraw/zinc/05/75/78/209057578.db2.gz	DTEDTSVSJPMBKH-FIXSFTCYSA-N	-1	3	397.490	4.940	40	0		GJABHM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl	ZINC000408558243	528473858	/nfs/dbraw/zinc/47/38/58/528473858.db2.gz	PYKBTIOJACXHLC-UHFFFAOYSA-N	-1	3	380.680	4.846	40	0		GJABHM
CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccccc1)N2	ZINC000409360562	528595559	/nfs/dbraw/zinc/59/55/59/528595559.db2.gz	QWOKBOMDUCQVGN-ZRGWGRIASA-N	-1	3	382.426	4.602	40	0		GJABHM
COc1c(F)c(F)c(C(=O)[N-]c2nc3ccc(Cl)cc3s2)c(F)c1F	ZINC000408621305	570370683	/nfs/dbraw/zinc/37/06/83/570370683.db2.gz	LLEZPXKTXYDJGK-UHFFFAOYSA-N	-1	3	390.745	4.767	40	0		GJABHM
CCCC(=O)NC(=S)Nc1cc(C)c([O-])c(-c2nc3ccccc3s2)c1	ZINC000005946060	570462528	/nfs/dbraw/zinc/46/25/28/570462528.db2.gz	JHKMVWQBUXDTJR-UHFFFAOYSA-N	-1	3	385.514	4.590	40	0		GJABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1C(C)C	ZINC000007360544	570503245	/nfs/dbraw/zinc/50/32/45/570503245.db2.gz	LFUMQVUHOVFIDB-UHFFFAOYSA-N	-1	3	398.322	4.690	40	0		GJABHM
CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1	ZINC000224598687	570520017	/nfs/dbraw/zinc/52/00/17/570520017.db2.gz	KDSJZYOPDAXMHD-UXHICEINSA-N	-1	3	392.528	4.521	40	0		GJABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1C(C)C	ZINC000224969905	570540376	/nfs/dbraw/zinc/54/03/76/570540376.db2.gz	LLPMJCDZPBATHD-UHFFFAOYSA-N	-1	3	388.533	4.610	40	0		GJABHM
CNc1cccc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)[O-])cc2)n1	ZINC000257267171	570773099	/nfs/dbraw/zinc/77/30/99/570773099.db2.gz	MGFGDLFMLYBHNI-JOCHJYFZSA-N	-1	3	387.483	4.826	40	0		GJABHM
Cc1cncnc1[C@H]1CCCCN1Cc1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000257277731	570774504	/nfs/dbraw/zinc/77/45/04/570774504.db2.gz	NZDPZEJNYMZVOX-JOCHJYFZSA-N	-1	3	387.483	4.877	40	0		GJABHM
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1	ZINC000013997868	570869298	/nfs/dbraw/zinc/86/92/98/570869298.db2.gz	GZXZPKLCLMHZDI-UHFFFAOYSA-N	-1	3	394.496	4.665	40	0		GJABHM
Cc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc(Br)c1[O-]	ZINC000226243260	570935521	/nfs/dbraw/zinc/93/55/21/570935521.db2.gz	ILGQGTYXEGWDFB-UHFFFAOYSA-N	-1	3	398.684	4.751	40	0		GJABHM
Cc1ccc(C(=O)N2NC(C3CCCCC3)=C[C@]2([O-])C(F)(F)F)cc1Cl	ZINC000409094561	231158875	/nfs/dbraw/zinc/15/88/75/231158875.db2.gz	FRTVDLYQBUCMTD-KRWDZBQOSA-N	-1	3	388.817	4.682	40	0		GJABHM
O=C1[N-]C(=Cc2cccn2-c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1	ZINC000409104536	231161675	/nfs/dbraw/zinc/16/16/75/231161675.db2.gz	JOJYPNXYRNHQLO-LDADJPATSA-N	-1	3	398.249	4.881	40	0		GJABHM
Cc1ccc(-n2cccc2/C=C2/[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000409064309	534239800	/nfs/dbraw/zinc/23/98/00/534239800.db2.gz	CNKNYYKAGYFZNI-CPNJWEJPSA-N	-1	3	377.831	4.536	40	0		GJABHM
CC(C)(C)C(=O)NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1	ZINC000408628235	527580646	/nfs/dbraw/zinc/58/06/46/527580646.db2.gz	RGJVPRDIWFKYPT-UHFFFAOYSA-N	-1	3	385.514	4.528	40	0		GJABHM
CCn1cc(-c2cc(C(=O)[N-]c3nc(-c4cc(C)sc4C)cs3)no2)cn1	ZINC000019719246	570210587	/nfs/dbraw/zinc/21/05/87/570210587.db2.gz	OLNCIZXRYNWYCY-UHFFFAOYSA-N	-1	3	399.501	4.612	40	0		GJABHM
O=S(=O)([N-]c1c(Cl)cccc1Cl)c1ccc(Br)s1	ZINC000042205288	570295330	/nfs/dbraw/zinc/29/53/30/570295330.db2.gz	QFGJGCGHIZQKEC-UHFFFAOYSA-N	-1	3	387.107	4.618	40	0		GJABHM
CCCCCC(=O)NC(=S)Nc1ccc([O-])c(-c2nc3ccc(C)cc3o2)c1	ZINC000408627709	570380140	/nfs/dbraw/zinc/38/01/40/570380140.db2.gz	NEJDNRJGVAAGQC-UHFFFAOYSA-N	-1	3	397.500	4.902	40	0		GJABHM
CCCCC(=O)NC(=S)Nc1cc(C)c([O-])c(-c2nc3ccccc3o2)c1	ZINC000005946074	570462598	/nfs/dbraw/zinc/46/25/98/570462598.db2.gz	SBDFQZYZBFDZHK-UHFFFAOYSA-N	-1	3	383.473	4.512	40	0		GJABHM
[O-]c1cccnc1NC(=S)NCC1(c2ccc(Cl)cc2)CCCCC1	ZINC000223997238	570493515	/nfs/dbraw/zinc/49/35/15/570493515.db2.gz	AMDHFLHNNAXRKY-UHFFFAOYSA-N	-1	3	375.925	4.629	40	0		GJABHM
Cc1cccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3[O-])o2)c1	ZINC000000892362	570512936	/nfs/dbraw/zinc/51/29/36/570512936.db2.gz	MGHGBZZECOGBPJ-UHFFFAOYSA-N	-1	3	391.452	4.635	40	0		GJABHM
O=C([N-]c1ncc(Cc2ccc(F)cc2)s1)c1ncoc1-c1cccs1	ZINC000012338284	570645133	/nfs/dbraw/zinc/64/51/33/570645133.db2.gz	VQFSEYBKKUATLR-UHFFFAOYSA-N	-1	3	385.445	4.842	40	0		GJABHM
COc1cccc([C@H]2CCCN2Cc2ccc(-c3ccc(C(=O)[O-])c(O)c3)o2)c1	ZINC000257253819	570770630	/nfs/dbraw/zinc/77/06/30/570770630.db2.gz	KAJRHJMQHKSVEV-HXUWFJFHSA-N	-1	3	393.439	4.696	40	0		GJABHM
Cc1nccc(C2CCN(Cc3ccc(-c4ccccc4C(=O)[O-])cc3)CC2)n1	ZINC000257279660	570775083	/nfs/dbraw/zinc/77/50/83/570775083.db2.gz	OHPVRICHDPOCHT-UHFFFAOYSA-N	-1	3	387.483	4.530	40	0		GJABHM