smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1oc(S(=O)(=O)[N-]NC(=O)Cc2cccnc2)cc1C(=O)[O-]	ZINC000833026691	601233975	/nfs/dbraw/zinc/23/39/75/601233975.db2.gz	HZHOZJYCTXHSDX-UHFFFAOYSA-N	-2	0	339.329	0.233	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1ccc(Cl)nc1	ZINC000834232239	605804514	/nfs/dbraw/zinc/80/45/14/605804514.db2.gz	PDEXKOVALOCEJS-UHFFFAOYSA-N	-2	0	336.757	0.092	20	50		ECGDRL
O=C([O-])Nc1cnc(C(=O)[N-]NC(=O)Cc2ccccc2F)cn1	ZINC000834277236	606004095	/nfs/dbraw/zinc/00/40/95/606004095.db2.gz	VVZBUJCDAPAOAN-UHFFFAOYSA-N	-2	0	333.279	0.709	20	50		ECGDRL
CCCNC(=O)N[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC000829514239	601203352	/nfs/dbraw/zinc/20/33/52/601203352.db2.gz	ZKYKUFYKYRSMCD-UHFFFAOYSA-N	-2	0	337.379	0.357	20	50		ECGDRL
Cc1oc(S(=O)(=O)[N-]NC(=O)c2ccc(C#N)cc2)cc1C(=O)[O-]	ZINC000833026795	601233057	/nfs/dbraw/zinc/23/30/57/601233057.db2.gz	LCIGEKRGXPRYOC-UHFFFAOYSA-N	-2	0	349.324	0.781	20	50		ECGDRL
O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]NC(=O)C1CCC1	ZINC000833344453	601484167	/nfs/dbraw/zinc/48/41/67/601484167.db2.gz	SUAONLXHCWHHNF-UHFFFAOYSA-N	-2	0	333.753	0.543	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CC[C@H](N(C)C(=O)[O-])C1	ZINC000830834988	604076655	/nfs/dbraw/zinc/07/66/55/604076655.db2.gz	UWRQTKDLCVKEPR-QMMMGPOBSA-N	-2	0	327.366	0.490	20	50		ECGDRL
COc1ccc(S(=O)(=O)[N-]NC(=O)C(C)C)c(OC)c1C(=O)[O-]	ZINC000833734309	604859554	/nfs/dbraw/zinc/85/95/54/604859554.db2.gz	WDPLNBSEPOLMAA-UHFFFAOYSA-N	-2	0	346.361	0.368	20	50		ECGDRL
CCOC(=O)c1cnc(=NNC(=O)CN(C(=O)[O-])C2CC2)[n-]c1C	ZINC000833861151	605440830	/nfs/dbraw/zinc/44/08/30/605440830.db2.gz	LKVYYHRJQFASGE-UHFFFAOYSA-N	-2	0	337.336	0.547	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1cc(-c2ccc3c(c2)CCO3)no1	ZINC000834203260	605461916	/nfs/dbraw/zinc/46/19/16/605461916.db2.gz	LNHCPUCJUSZEKC-UHFFFAOYSA-N	-2	0	346.299	0.305	20	50		ECGDRL
O=C([O-])NNC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1	ZINC000834250103	605970211	/nfs/dbraw/zinc/97/02/11/605970211.db2.gz	DFPWCTQCCYZEKC-UHFFFAOYSA-N	-2	0	327.240	0.861	20	50		ECGDRL
N#Cc1cccc(C(=O)N[N-]C(=O)c2cnc(NC(=O)[O-])cn2)c1	ZINC000833978166	606003279	/nfs/dbraw/zinc/00/32/79/606003279.db2.gz	DKXMCBFXHPULBC-UHFFFAOYSA-N	-2	0	326.272	0.513	20	50		ECGDRL
Cn1cc(S(=O)(=O)[N-]NC(=O)c2ccccc2F)cc1C(=O)[O-]	ZINC000833054374	600808370	/nfs/dbraw/zinc/80/83/70/600808370.db2.gz	WPMOFVDKGLVEIK-UHFFFAOYSA-N	-2	0	341.320	0.486	20	50		ECGDRL
O=C([O-])NCCCNC(=O)N[N-]C(=O)C(F)(F)Oc1ccccc1	ZINC000832616748	603751628	/nfs/dbraw/zinc/75/16/28/603751628.db2.gz	KJGFATRXBHTXBS-UHFFFAOYSA-N	-2	0	346.290	0.646	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1cncc(Cl)c1	ZINC000834231503	605481222	/nfs/dbraw/zinc/48/12/22/605481222.db2.gz	JBHZARCZEBDXGL-UHFFFAOYSA-N	-2	0	336.757	0.092	20	50		ECGDRL
O=C([O-])N1CCC(NC(=O)N[N-]C(=O)c2ccc(F)cn2)CC1	ZINC000834049225	605556492	/nfs/dbraw/zinc/55/64/92/605556492.db2.gz	YQZVCVFDYMUOIX-UHFFFAOYSA-N	-2	0	325.300	0.307	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cnn(-c2ccccc2)n1	ZINC000834230420	605977986	/nfs/dbraw/zinc/97/79/86/605977986.db2.gz	YSYWKDUVLRNZJQ-UHFFFAOYSA-N	-2	0	332.320	0.076	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CCN(C(=O)[O-])[C@H](C)[C@@H]1C	ZINC000833918947	606015987	/nfs/dbraw/zinc/01/59/87/606015987.db2.gz	XBRBESKEGQKBCO-DTWKUNHWSA-N	-2	0	341.393	0.879	20	50		ECGDRL
O=C([O-])c1nscc1S(=O)(=O)[N-]NC(=O)NC1CCCCC1	ZINC000833148643	601831511	/nfs/dbraw/zinc/83/15/11/601831511.db2.gz	OHDJTAXVIYCDJD-UHFFFAOYSA-N	-2	0	348.406	0.667	20	50		ECGDRL
CCCNC(=O)N[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000829513001	601838464	/nfs/dbraw/zinc/83/84/64/601838464.db2.gz	FWPRAEXEHAVSJC-UHFFFAOYSA-N	-2	0	337.304	0.566	20	50		ECGDRL
O=C([O-])c1nscc1S(=O)(=O)[N-][N-]C(=O)NCc1ccco1	ZINC000833146728	601839213	/nfs/dbraw/zinc/83/92/13/601839213.db2.gz	JOHIVINILIJGAA-UHFFFAOYSA-N	-3	0	346.346	0.127	20	50		ECGDRL
C[C@H](NC(=S)N[N-]C(=O)c1csc(CNC(=O)[O-])n1)C1CC1	ZINC000825465129	603611414	/nfs/dbraw/zinc/61/14/14/603611414.db2.gz	HSQPRFHURYGLKR-LURJTMIESA-N	-2	0	343.434	0.818	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CCN(C(=O)[O-])[C@H](C)C1	ZINC000830834200	603769967	/nfs/dbraw/zinc/76/99/67/603769967.db2.gz	FZRZFHDSCCAZIU-SSDOTTSWSA-N	-2	0	327.366	0.490	20	50		ECGDRL
O=C([O-])NCCCC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000832609252	604030814	/nfs/dbraw/zinc/03/08/14/604030814.db2.gz	SKIHDRXQPDQKHR-UHFFFAOYSA-N	-2	0	326.265	0.109	20	50		ECGDRL
Cc1nc(CC(C)C)c(C(=O)[N-]NC(=O)NCCNC(=O)[O-])s1	ZINC000830738685	604217307	/nfs/dbraw/zinc/21/73/07/604217307.db2.gz	SJQXLAHPRFBICS-UHFFFAOYSA-N	-2	0	343.409	0.862	20	50		ECGDRL
O=C([O-])N1CCO[C@H](CC(=O)NN=c2[n-]c(-c3ccncc3)no2)C1	ZINC000831388982	604810897	/nfs/dbraw/zinc/81/08/97/604810897.db2.gz	YCMRRCOSSKHNKX-SNVBAGLBSA-N	-2	0	348.319	0.344	20	50		ECGDRL
CC[C@H](NC(=O)[O-])C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000827524828	605153855	/nfs/dbraw/zinc/15/38/55/605153855.db2.gz	SSRSNONRELKSGT-JTQLQIEISA-N	-3	0	347.331	0.385	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1c(F)cccc1Br	ZINC000834203416	605468214	/nfs/dbraw/zinc/46/82/14/605468214.db2.gz	PVYGMPUQODRXJX-UHFFFAOYSA-N	-2	0	334.101	0.617	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1cc2ccccc2o1	ZINC000834232001	605804493	/nfs/dbraw/zinc/80/44/93/605804493.db2.gz	MUEDFUVJVDRXJZ-UHFFFAOYSA-N	-2	0	341.345	0.790	20	50		ECGDRL
O=C([O-])NCCNC(=O)N[N-]C(=O)C(F)(F)c1ccccc1F	ZINC000834243984	606051173	/nfs/dbraw/zinc/05/11/73/606051173.db2.gz	YSBAGGOMGGPCFI-UHFFFAOYSA-N	-2	0	334.254	0.516	20	50		ECGDRL
O=C([O-])NCCNC(=O)NN=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000834243055	606081155	/nfs/dbraw/zinc/08/11/55/606081155.db2.gz	GQUDFWQZIADOBI-UHFFFAOYSA-N	-2	0	328.712	0.939	20	50		ECGDRL
CC(C)NC(=O)N[N-]S(=O)(=O)c1ccc(C=CC(=O)[O-])cc1	ZINC000826975873	601327772	/nfs/dbraw/zinc/32/77/72/601327772.db2.gz	CVCYEZYUKKPDBR-YVMONPNESA-N	-2	0	327.362	0.685	20	50		ECGDRL
CCOC(=O)c1cnc(=NNC(=O)C[C@@H](C)NC(=O)[O-])[n-]c1C	ZINC000833860762	605440571	/nfs/dbraw/zinc/44/05/71/605440571.db2.gz	FURILPSGVAUYNQ-SSDOTTSWSA-N	-2	0	325.325	0.451	20	50		ECGDRL
Cc1ccc(C(F)(F)C(=O)[N-]NC(=O)NCCNC(=O)[O-])cc1	ZINC000833905208	605838273	/nfs/dbraw/zinc/83/82/73/605838273.db2.gz	PMLHJLPTEHOWEL-UHFFFAOYSA-N	-2	0	330.291	0.685	20	50		ECGDRL
O=C([O-])Nc1cnc(C(=O)[N-]NC(=O)Cc2ccc(F)cc2)cn1	ZINC000834277104	606000348	/nfs/dbraw/zinc/00/03/48/606000348.db2.gz	SNTBMWWAFUCTIX-UHFFFAOYSA-N	-2	0	333.279	0.709	20	50		ECGDRL
O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]NC(=O)c1ccccn1	ZINC000833148944	601855524	/nfs/dbraw/zinc/85/55/24/601855524.db2.gz	VADOKCSGFQPNQY-UHFFFAOYSA-N	-2	0	339.304	0.542	20	50		ECGDRL
O=C([O-])N[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000833280680	602111886	/nfs/dbraw/zinc/11/18/86/602111886.db2.gz	PBEJGQNRBXYJRW-UHFFFAOYSA-N	-2	0	340.111	0.818	20	50		ECGDRL
Cc1nnc(NNC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)[n-]c1=O	ZINC000830887560	603442973	/nfs/dbraw/zinc/44/29/73/603442973.db2.gz	NTBHVMKLBIQGCL-KWQFWETISA-N	-2	0	346.347	0.974	20	50		ECGDRL
CCC(CC)n1ccc(C(=O)[N-]NC(=O)NCCNC(=O)[O-])n1	ZINC000826576112	605287240	/nfs/dbraw/zinc/28/72/40/605287240.db2.gz	QIZRCNJWSRRGHZ-UHFFFAOYSA-N	-2	0	326.357	0.456	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000834204001	605394670	/nfs/dbraw/zinc/39/46/70/605394670.db2.gz	RCFPWCSTPGPZSM-UHFFFAOYSA-N	-2	0	341.267	0.283	20	50		ECGDRL
O=C([O-])N1CCC2(C[C@H]2C(=O)N[N-]C(=O)c2cccc(F)n2)CC1	ZINC000834044166	605933189	/nfs/dbraw/zinc/93/31/89/605933189.db2.gz	AJWDQSIMKOYZLQ-VIFPVBQESA-N	-2	0	336.323	0.762	20	50		ECGDRL
Cc1oc2nc[nH]c(=O)c2c1C(=O)[N-]NC(=O)CCCNC(=O)[O-]	ZINC000833934891	605977602	/nfs/dbraw/zinc/97/76/02/605977602.db2.gz	OKTSWXHLTDTWJJ-UHFFFAOYSA-N	-2	0	337.292	0.046	20	50		ECGDRL
O=C([O-])NC[C@H](C(=O)N[N-]C(=O)c1ccccn1)c1ccccc1	ZINC000832408487	603210393	/nfs/dbraw/zinc/21/03/93/603210393.db2.gz	SQVGUNWVTISYSW-LBPRGKRZSA-N	-2	0	328.328	0.894	20	50		ECGDRL
C[C@@H](NC(=S)N[N-]C(=O)c1ccc(CNC(=O)[O-])o1)C1CC1	ZINC000825466612	603612133	/nfs/dbraw/zinc/61/21/33/603612133.db2.gz	UIHJLCNOQVAUQM-SSDOTTSWSA-N	-2	0	326.378	0.955	20	50		ECGDRL
Cc1cc(F)cc(C(=O)[N-]NC(=O)NCCNC(=O)[O-])c1[N+](=O)[O-]	ZINC000830061869	604059457	/nfs/dbraw/zinc/05/94/57/604059457.db2.gz	NCMSFFCMSVVOFL-UHFFFAOYSA-N	-2	0	343.271	0.254	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1cccc(OCC(F)(F)F)n1	ZINC000834202755	605470210	/nfs/dbraw/zinc/47/02/10/605470210.db2.gz	ACEYQEKYQXHUBU-UHFFFAOYSA-N	-2	0	336.226	0.051	20	50		ECGDRL
Cc1nnc(NNC(=O)[C@H]2CCCCCC[C@@H]2NC(=O)[O-])[n-]c1=O	ZINC000830887214	605527213	/nfs/dbraw/zinc/52/72/13/605527213.db2.gz	CVBKPFAXQIXVNB-UWVGGRQHSA-N	-2	0	338.368	0.935	20	50		ECGDRL
O=C([O-])Nc1cnc(C(=O)NN=c2[n-]c(-c3ccncc3)no2)cn1	ZINC000834278072	606057050	/nfs/dbraw/zinc/05/70/50/606057050.db2.gz	UWUHXBLKLAWVRJ-UHFFFAOYSA-N	-2	0	342.275	0.768	20	50		ECGDRL
Cc1oc(S(=O)(=O)[N-]NC(=O)c2ccccn2)cc1C(=O)[O-]	ZINC000833027124	601231343	/nfs/dbraw/zinc/23/13/43/601231343.db2.gz	PQZDRQUTYPYZQM-UHFFFAOYSA-N	-2	0	325.302	0.305	20	50		ECGDRL
CC(=O)c1[nH]c(CC(=O)NNC(=O)c2cc(C)n[nH]2)c(C(=O)[O-])c1C	ZINC000825937590	604280465	/nfs/dbraw/zinc/28/04/65/604280465.db2.gz	YWOLGDOQVDLNFN-UHFFFAOYSA-N	-2	0	347.331	0.259	20	50		ECGDRL
CCOC(=O)c1cnc(=NNC(=O)[C@H](C)CN(C)C(=O)[O-])[n-]c1C	ZINC000833860632	605440902	/nfs/dbraw/zinc/44/09/02/605440902.db2.gz	BGSWZSWBWYYFEF-MRVPVSSYSA-N	-2	0	339.352	0.651	20	50		ECGDRL
Cc1cc(C(=O)[N-]NC(=O)CNC(=O)[O-])nn1-c1ccc(F)cc1	ZINC000833898176	605464646	/nfs/dbraw/zinc/46/46/46/605464646.db2.gz	KECVXRPAVUJVGI-UHFFFAOYSA-N	-2	0	335.295	0.348	20	50		ECGDRL
O=C([O-])NCCNC(=O)N[N-]C(=O)c1cnc([C@@H]2CCCO2)s1	ZINC000834242913	605580517	/nfs/dbraw/zinc/58/05/17/605580517.db2.gz	BPEVLRLWDTUEFW-ZETCQYMHSA-N	-2	0	343.365	0.206	20	50		ECGDRL
O=C([O-])Nc1cnc(C(=O)[N-]NC(=O)CCc2ccccc2O)cn1	ZINC000834276625	606004204	/nfs/dbraw/zinc/00/42/04/606004204.db2.gz	AUHCIEQTTQUUEN-UHFFFAOYSA-N	-2	0	345.315	0.666	20	50		ECGDRL
CCO[C@H](C)c1ncc(C(=O)[N-]NC(=O)NCCNC(=O)[O-])s1	ZINC000827360799	602943577	/nfs/dbraw/zinc/94/35/77/602943577.db2.gz	BBSMYPZDDQINMI-SSDOTTSWSA-N	-2	0	345.381	0.452	20	50		ECGDRL
CC(C)(C)c1ncsc1C(=O)[N-]NC(=O)NCCNC(=O)[O-]	ZINC000823870451	604173275	/nfs/dbraw/zinc/17/32/75/604173275.db2.gz	YGSDBUJFENKIDQ-UHFFFAOYSA-N	-2	0	329.382	0.652	20	50		ECGDRL
CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]NC(=O)[O-])cc1F	ZINC000833665217	605119545	/nfs/dbraw/zinc/11/95/45/605119545.db2.gz	DHQOOVAUDUGCQT-UHFFFAOYSA-N	-2	0	341.342	0.048	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1ccc(CCCCl)cc1	ZINC000834204076	605394028	/nfs/dbraw/zinc/39/40/28/605394028.db2.gz	WSHZCASDTHGSEP-UHFFFAOYSA-N	-2	0	349.796	0.435	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1csc(Nc2ccccn2)n1	ZINC000834203643	605465102	/nfs/dbraw/zinc/46/51/02/605465102.db2.gz	YRQGRPCXXYBJOS-UHFFFAOYSA-N	-2	0	336.333	0.310	20	50		ECGDRL
O=C([O-])NCCNC(=O)N[N-]C(=O)c1cnc([C@H]2CCCO2)s1	ZINC000834242910	605579665	/nfs/dbraw/zinc/57/96/65/605579665.db2.gz	BPEVLRLWDTUEFW-SSDOTTSWSA-N	-2	0	343.365	0.206	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1C[C@@H](C)N(C(=O)[O-])C[C@H]1C	ZINC000833918689	605790522	/nfs/dbraw/zinc/79/05/22/605790522.db2.gz	VQPKWCIJVZDZEA-HTQZYQBOSA-N	-2	0	341.393	0.879	20	50		ECGDRL
Cc1cc(S(=O)(=O)[N-]NC(=O)CCCNC(=O)[O-])c(C)s1	ZINC000833900915	605802869	/nfs/dbraw/zinc/80/28/69/605802869.db2.gz	GNCYTXZRYXNWBT-UHFFFAOYSA-N	-2	0	335.407	0.722	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1ccc(C(F)(F)F)cn1	ZINC000834229938	605973427	/nfs/dbraw/zinc/97/34/27/605973427.db2.gz	LBEDEZCJAYMKNH-UHFFFAOYSA-N	-2	0	334.254	0.909	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1csc([C@@H]2CCCO2)n1	ZINC000834230576	605974936	/nfs/dbraw/zinc/97/49/36/605974936.db2.gz	BCTUVEUVVWTNLD-VIFPVBQESA-N	-2	0	342.377	0.803	20	50		ECGDRL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]NC(=O)c1ccc[nH]1	ZINC000831939332	601150095	/nfs/dbraw/zinc/15/00/95/601150095.db2.gz	HZXGNFXWHDVEAI-UHFFFAOYSA-N	-2	0	345.358	0.406	20	50		ECGDRL
CC[C@H](C)C(=O)N[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC000828700433	601202524	/nfs/dbraw/zinc/20/25/24/601202524.db2.gz	MGFNCPXDXWDURO-LURJTMIESA-N	-2	0	336.391	0.811	20	50		ECGDRL
O=C([O-])N1CCO[C@H](C(=O)N[N-]C(=O)c2cc3ccccc3o2)C1	ZINC000831736077	604888385	/nfs/dbraw/zinc/88/83/85/604888385.db2.gz	GNOITJQLTQWRJB-LBPRGKRZSA-N	-2	0	333.300	0.573	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1cc(F)ccc1Cl	ZINC000834203937	605394529	/nfs/dbraw/zinc/39/45/29/605394529.db2.gz	NKNHRZPQAZRBDP-UHFFFAOYSA-N	-2	0	325.705	0.056	20	50		ECGDRL
O=C([O-])N1CCO[C@H](C(=O)NN=c2[n-]c(C(F)(F)F)cs2)C1	ZINC000831742927	605396733	/nfs/dbraw/zinc/39/67/33/605396733.db2.gz	WDNQTZOQPCNTEE-YFKPBYRVSA-N	-2	0	340.283	0.984	20	50		ECGDRL
CCOC(=O)c1cnc(=NNC(=O)CC2CN(C(=O)[O-])C2)[n-]c1C	ZINC000833861640	605442106	/nfs/dbraw/zinc/44/21/06/605442106.db2.gz	STJBXJUVTYJNOT-UHFFFAOYSA-N	-2	0	337.336	0.405	20	50		ECGDRL
O=C([O-])N1CC(C(=O)N[N-]C(=O)c2cc(-c3ccccc3)on2)C1	ZINC000834044489	605511781	/nfs/dbraw/zinc/51/17/81/605511781.db2.gz	DKBQXSPCVYZCMG-UHFFFAOYSA-N	-2	0	330.300	0.712	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000834232330	605805448	/nfs/dbraw/zinc/80/54/48/605805448.db2.gz	RUEYHZNEYOELFY-UHFFFAOYSA-N	-2	0	337.304	0.322	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1C[C@@H](CNC(=O)[O-])C[C@H]1C	ZINC000833918259	605920475	/nfs/dbraw/zinc/92/04/75/605920475.db2.gz	RMDKTXAMWLONCA-VXNVDRBHSA-N	-2	0	341.393	0.784	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1C[C@@H](CNC(=O)[O-])C[C@@H]1C	ZINC000833918258	605920726	/nfs/dbraw/zinc/92/07/26/605920726.db2.gz	RMDKTXAMWLONCA-IONNQARKSA-N	-2	0	341.393	0.784	20	50		ECGDRL
Cc1oc(S(=O)(=O)[N-]NC(=O)CCc2ccco2)cc1C(=O)[O-]	ZINC000833026475	601232910	/nfs/dbraw/zinc/23/29/10/601232910.db2.gz	DYMZUPRJMKKOJI-UHFFFAOYSA-N	-2	0	342.329	0.822	20	50		ECGDRL
O=C([O-])c1nscc1S(=O)(=O)[N-]NC(=O)CCc1ccco1	ZINC000833103525	601839849	/nfs/dbraw/zinc/83/98/49/601839849.db2.gz	PQFUJNIYHJFUDF-UHFFFAOYSA-N	-2	0	345.358	0.377	20	50		ECGDRL
O=C([O-])NCc1ccc(C(=O)[N-]NC(=O)c2ccc3c(c2)OCO3)o1	ZINC000832702774	603222461	/nfs/dbraw/zinc/22/24/61/603222461.db2.gz	WFNDNHWFGLOTMF-UHFFFAOYSA-N	-2	0	347.283	0.851	20	50		ECGDRL
O=C([O-])N1CC(CC(=O)NNC(=O)c2ccc(Cl)cc2[O-])C1	ZINC000831366760	604062194	/nfs/dbraw/zinc/06/21/94/604062194.db2.gz	XXMAFPRVUPPLFC-UHFFFAOYSA-N	-2	0	327.724	0.807	20	50		ECGDRL
Cc1onc(-c2ccncc2)c1C(=O)[N-]NC(=O)NCCNC(=O)[O-]	ZINC000830953049	604918872	/nfs/dbraw/zinc/91/88/72/604918872.db2.gz	PKWKXKUUEWBFLS-UHFFFAOYSA-N	-2	0	348.319	0.257	20	50		ECGDRL
CC(C)(C)C(=O)N[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833421807	605326211	/nfs/dbraw/zinc/32/62/11/605326211.db2.gz	FOJOBGGCMUALKE-UHFFFAOYSA-N	-2	0	345.333	0.649	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000834203877	605392599	/nfs/dbraw/zinc/39/25/99/605392599.db2.gz	JBVVPLXFWQPCIZ-UHFFFAOYSA-N	-2	0	342.160	0.571	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C	ZINC000830834416	605528944	/nfs/dbraw/zinc/52/89/44/605528944.db2.gz	HCYOMGYQITUWRC-IONNQARKSA-N	-2	0	341.393	0.926	20	50		ECGDRL
O=C([O-])NCCCC(=O)NNC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000834229616	605995422	/nfs/dbraw/zinc/99/54/22/605995422.db2.gz	AZNVBGWSLIGYEK-UHFFFAOYSA-N	-2	0	326.265	0.109	20	50		ECGDRL
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)c2ccc[nH]2)ccc1Cl	ZINC000833148665	601827849	/nfs/dbraw/zinc/82/78/49/601827849.db2.gz	PCTQFLYGTXRERP-UHFFFAOYSA-N	-2	0	343.748	0.990	20	50		ECGDRL
O=C([O-])NCc1ccc(C(=O)[N-]NC(=O)[C@@H]2Cc3ccccc3O2)o1	ZINC000832701676	602780182	/nfs/dbraw/zinc/78/01/82/602780182.db2.gz	DQDWVDRZNVUOEC-ZDUSSCGKSA-N	-2	0	345.311	0.812	20	50		ECGDRL
O=C([O-])N1CCC(NC(=O)N[N-]C(=O)C(F)(F)C(F)F)CC1	ZINC000831736434	603448647	/nfs/dbraw/zinc/44/86/47/603448647.db2.gz	LUJIHOPTEHPQKZ-UHFFFAOYSA-N	-2	0	330.238	0.360	20	50		ECGDRL
Cc1nc(C)c(C(=O)[N-]NC(=O)NC2CCN(C(=O)[O-])CC2)o1	ZINC000830716673	603810399	/nfs/dbraw/zinc/81/03/99/603810399.db2.gz	VPEWRKIEZPVKPK-UHFFFAOYSA-N	-2	0	325.325	0.378	20	50		ECGDRL
O=C([O-])N1CC[C@@](F)(C(=O)NN=c2[n-]c(-c3cccnc3)no2)C1	ZINC000831907544	603878683	/nfs/dbraw/zinc/87/86/83/603878683.db2.gz	FNPXQLUSOJYDLK-ZDUSSCGKSA-N	-2	0	336.283	0.667	20	50		ECGDRL
CC(C)CCc1ccc(S(=O)(=O)[N-]NC(=O)CNC(=O)[O-])cc1	ZINC000833793736	605391363	/nfs/dbraw/zinc/39/13/63/605391363.db2.gz	HIYHNQWVBHYACS-UHFFFAOYSA-N	-2	0	343.405	0.852	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1ncn(-c2ccccc2)n1	ZINC000834230872	605508500	/nfs/dbraw/zinc/50/85/00/605508500.db2.gz	FLIRAJDAYNNGKU-UHFFFAOYSA-N	-2	0	332.320	0.076	20	50		ECGDRL
Cc1cc(S(=O)(=O)[N-]NC(=O)CCCNC(=O)[O-])ccc1F	ZINC000833901881	605802974	/nfs/dbraw/zinc/80/29/74/605802974.db2.gz	SLUVIMAQTLYNQX-UHFFFAOYSA-N	-2	0	333.341	0.491	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cc(F)ccc1[N+](=O)[O-]	ZINC000834230440	605976421	/nfs/dbraw/zinc/97/64/21/605976421.db2.gz	ZDVMCVQEGOGGDD-UHFFFAOYSA-N	-2	0	328.256	0.543	20	50		ECGDRL
O=C([O-])Nc1cnc(C(=O)[N-]NC(=O)c2cccc([N+](=O)[O-])c2)cn1	ZINC000834276900	606000033	/nfs/dbraw/zinc/00/00/33/606000033.db2.gz	MTYQQLLKRQEQHS-UHFFFAOYSA-N	-2	0	346.259	0.550	20	50		ECGDRL
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)c2ccccn2)cs1	ZINC000833148810	600670482	/nfs/dbraw/zinc/67/04/82/600670482.db2.gz	SONXWJZNZPZBDA-UHFFFAOYSA-N	-2	0	327.343	0.465	20	50		ECGDRL
C[C@@H](C(=O)N[N-]C(=O)c1cn[nH]n1)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823705384	602862963	/nfs/dbraw/zinc/86/29/63/602862963.db2.gz	VYYDGOCROKQUED-LDYMZIIASA-N	-2	0	332.320	0.211	20	50		ECGDRL
Cc1onc(-c2ccccn2)c1C(=O)[N-]NC(=O)NCCNC(=O)[O-]	ZINC000830952444	604919204	/nfs/dbraw/zinc/91/92/04/604919204.db2.gz	IFLYPTVKVKPEGA-UHFFFAOYSA-N	-2	0	348.319	0.257	20	50		ECGDRL
Cc1cc(S(=O)(=O)[N-]NC(=O)CNC(=O)[O-])ccc1OC(C)C	ZINC000833902302	605391082	/nfs/dbraw/zinc/39/10/82/605391082.db2.gz	XFXZSRDLGIRLLN-UHFFFAOYSA-N	-2	0	345.377	0.359	20	50		ECGDRL
N#Cc1cc(Cl)c(C(=O)[N-]NC(=O)CNC(=O)[O-])c(Cl)c1	ZINC000833970550	605447266	/nfs/dbraw/zinc/44/72/66/605447266.db2.gz	QIVFMIOASXKONW-UHFFFAOYSA-N	-2	0	331.115	0.894	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1ncccc1OCC(F)(F)F	ZINC000834202804	605460864	/nfs/dbraw/zinc/46/08/64/605460864.db2.gz	CCOBSGPVPIBGOA-UHFFFAOYSA-N	-2	0	336.226	0.051	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CC[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000833916937	605514068	/nfs/dbraw/zinc/51/40/68/605514068.db2.gz	DFEPBYPCUSHWFH-VXNVDRBHSA-N	-2	0	341.393	0.784	20	50		ECGDRL
Cc1ccc(C(=O)[N-]NC(=O)C[C@@H]2CSCCN2C(=O)[O-])o1	ZINC000830225714	605812328	/nfs/dbraw/zinc/81/23/28/605812328.db2.gz	VCINAFUECNNBCP-SECBINFHSA-N	-2	0	327.362	0.835	20	50		ECGDRL
O=C([O-])Nc1cnc(C(=O)[N-]NC(=O)CCOc2ccccc2)cn1	ZINC000834277045	606002662	/nfs/dbraw/zinc/00/26/62/606002662.db2.gz	QUDLOFGZYJMPPS-UHFFFAOYSA-N	-2	0	345.315	0.797	20	50		ECGDRL
Cc1n[nH]c(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)c1[O-]	ZINC000826321996	608573362	/nfs/dbraw/zinc/57/33/62/608573362.db2.gz	WYIVBXQHVUAGMT-UHFFFAOYSA-N	-2	0	335.715	0.409	20	50		ECGDRL
Cc1oc(S(=O)(=O)[N-]NC(=O)Cc2ccccn2)cc1C(=O)[O-]	ZINC000833026446	601234010	/nfs/dbraw/zinc/23/40/10/601234010.db2.gz	CKNVRIMJRCPXCB-UHFFFAOYSA-N	-2	0	339.329	0.233	20	50		ECGDRL
C[C@@H](CC(=O)[O-])C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000827304508	602296057	/nfs/dbraw/zinc/29/60/57/602296057.db2.gz	WIVGRCOGFXGSIL-VIFPVBQESA-N	-3	0	332.316	0.450	20	50		ECGDRL
C[C@H](C(=O)N[N-]C(=O)c1cn[nH]n1)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823705381	602863093	/nfs/dbraw/zinc/86/30/93/602863093.db2.gz	VYYDGOCROKQUED-GZMMTYOYSA-N	-2	0	332.320	0.211	20	50		ECGDRL
Cc1nnc(NNC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])[n-]c1=O	ZINC000830887420	603443104	/nfs/dbraw/zinc/44/31/04/603443104.db2.gz	JYWQIRUTCZAKBC-NSHDSACASA-N	-2	0	346.347	0.598	20	50		ECGDRL
COC1(C(=O)N[N-]C(=O)c2ccc(C)o2)CCN(C(=O)[O-])CC1	ZINC000828856957	603832876	/nfs/dbraw/zinc/83/28/76/603832876.db2.gz	XJRDGZRFNKDWMG-UHFFFAOYSA-N	-2	0	325.321	0.508	20	50		ECGDRL
O=C([O-])N1CCO[C@@H](CC(=O)NN=c2[n-]c(-c3cccnc3)no2)C1	ZINC000831387481	604875472	/nfs/dbraw/zinc/87/54/72/604875472.db2.gz	KWICCQJPIVVBRX-JTQLQIEISA-N	-2	0	348.319	0.344	20	50		ECGDRL
C[C@@H](Oc1ccccc1F)C(=O)N[N-]C(=O)c1cc(C(=O)[O-])no1	ZINC000833541211	605262042	/nfs/dbraw/zinc/26/20/42/605262042.db2.gz	AAZIYTHTGCMANC-SSDOTTSWSA-N	-2	0	337.263	0.740	20	50		ECGDRL
Cc1cc(C(=O)NNc2nnc(C)c(=O)[n-]2)cc(C)c1OCC(=O)[O-]	ZINC000832864491	601756170	/nfs/dbraw/zinc/75/61/70/601756170.db2.gz	JIGXIRYMJJXMPB-UHFFFAOYSA-N	-2	0	347.331	0.723	20	50		ECGDRL
O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N[N-]C(=O)c1cc2ccccc2o1	ZINC000831736951	603497180	/nfs/dbraw/zinc/49/71/80/603497180.db2.gz	YRHQDVJFLPURSE-NXEZZACHSA-N	-2	0	333.300	0.307	20	50		ECGDRL
O=C([O-])NC1(C(=O)N[N-]C(=O)C(F)(F)Oc2ccccc2)CC1	ZINC000832176312	604471649	/nfs/dbraw/zinc/47/16/49/604471649.db2.gz	YQODCIKBMYWGJC-UHFFFAOYSA-N	-2	0	329.259	0.606	20	50		ECGDRL
CCOC(=O)c1cnc(=NNC(=O)CN(CC)C(=O)[O-])[n-]c1C	ZINC000833861621	605442093	/nfs/dbraw/zinc/44/20/93/605442093.db2.gz	SJLPHOHXDYCSBD-UHFFFAOYSA-N	-2	0	325.325	0.405	20	50		ECGDRL
CCCNC(=O)NNC(=O)c1cnn([C@H]2CCCN(C(=O)[O-])C2)c1	ZINC000833855957	605517870	/nfs/dbraw/zinc/51/78/70/605517870.db2.gz	SHUUZXQONFJGGG-NSHDSACASA-N	-2	0	338.368	0.552	20	50		ECGDRL
O=C([O-])Nc1cnc(C(=O)[N-]NC(=O)c2ccc(Cl)nc2)cn1	ZINC000834276848	606001412	/nfs/dbraw/zinc/00/14/12/606001412.db2.gz	LYNRYLSNISFLFF-UHFFFAOYSA-N	-2	0	336.695	0.690	20	50		ECGDRL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]NC(=O)C1CCC1	ZINC000831939383	601203744	/nfs/dbraw/zinc/20/37/44/601203744.db2.gz	LBTZTPPWQDIZOQ-UHFFFAOYSA-N	-2	0	334.375	0.565	20	50		ECGDRL
Cc1nnc(NNC(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)[n-]c1=O	ZINC000830887347	605250129	/nfs/dbraw/zinc/25/01/29/605250129.db2.gz	ICLIZTTUEUXSCW-MRVPVSSYSA-N	-2	0	338.368	0.745	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000834204058	605394881	/nfs/dbraw/zinc/39/48/81/605394881.db2.gz	VFXMMWCTZPZBGO-UHFFFAOYSA-N	-2	0	325.705	0.056	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)CC[C@H]1CCN(C(=O)[O-])C1	ZINC000833919053	605458756	/nfs/dbraw/zinc/45/87/56/605458756.db2.gz	ZWIOPYGEZCIFIK-VIFPVBQESA-N	-2	0	326.378	0.993	20	50		ECGDRL
Cc1oc(-c2ccccc2F)nc1C(=O)[N-]NC(=O)CNC(=O)[O-]	ZINC000833937907	605461693	/nfs/dbraw/zinc/46/16/93/605461693.db2.gz	ZNAODICFHRFBPD-UHFFFAOYSA-N	-2	0	336.279	0.818	20	50		ECGDRL
Cc1nnc(NNC(=O)C[C@H](NC(=O)[O-])c2ccccc2)[n-]c1=O	ZINC000833925628	605627974	/nfs/dbraw/zinc/62/79/74/605627974.db2.gz	GUIBNEDTXUNXIL-JTQLQIEISA-N	-2	0	332.320	0.728	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000834232735	605805415	/nfs/dbraw/zinc/80/54/15/605805415.db2.gz	XMEQEYISHQXCBF-UHFFFAOYSA-N	-2	0	337.304	0.322	20	50		ECGDRL
O=C([O-])N1CCC2(C[C@@H]2C(=O)N[N-]C(=O)c2cccc(F)n2)CC1	ZINC000834044165	605933248	/nfs/dbraw/zinc/93/32/48/605933248.db2.gz	AJWDQSIMKOYZLQ-SECBINFHSA-N	-2	0	336.323	0.762	20	50		ECGDRL
CC[C@H](C)C(=O)N[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000828699841	601835622	/nfs/dbraw/zinc/83/56/22/601835622.db2.gz	BHHYWARYNQORML-LURJTMIESA-N	-2	0	335.769	0.789	20	50		ECGDRL
N#Cc1cc(F)c(C(=O)[N-]NC(=O)NCCNC(=O)[O-])c(F)c1	ZINC000831113254	604217527	/nfs/dbraw/zinc/21/75/27/604217527.db2.gz	AJBSIUMZSAFICF-UHFFFAOYSA-N	-2	0	327.247	0.048	20	50		ECGDRL
O=C([O-])N1CCO[C@@H](CC(=O)N[N-]C(=O)c2cc3ccccc3o2)C1	ZINC000831387160	604888646	/nfs/dbraw/zinc/88/86/46/604888646.db2.gz	CBLRXSDYVFJTOB-NSHDSACASA-N	-2	0	347.327	0.963	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1cccc2c1CCCC2	ZINC000834203907	605393196	/nfs/dbraw/zinc/39/31/96/605393196.db2.gz	KYDKFJVVIGQRTH-UHFFFAOYSA-N	-2	0	327.362	0.143	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1cc(F)cc(Cl)c1	ZINC000834203924	605393876	/nfs/dbraw/zinc/39/38/76/605393876.db2.gz	MNUKSCOGJQFDLT-UHFFFAOYSA-N	-2	0	325.705	0.056	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	ZINC000834201721	605470154	/nfs/dbraw/zinc/47/01/54/605470154.db2.gz	NQNTVULKACUIPS-UHFFFAOYSA-N	-2	0	332.219	0.102	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1ccc(C(F)(F)F)nc1Cl	ZINC000834203203	605471003	/nfs/dbraw/zinc/47/10/03/605471003.db2.gz	KFWGAENTIKEDIT-UHFFFAOYSA-N	-2	0	340.645	0.782	20	50		ECGDRL
CC(C)Oc1ccc(S(=O)(=O)[N-]NC(=O)NCC(=O)[O-])cc1	ZINC000833506671	605599488	/nfs/dbraw/zinc/59/94/88/605599488.db2.gz	KMRMZJRYEHPDAX-UHFFFAOYSA-N	-2	0	331.350	0.051	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000830835330	605678799	/nfs/dbraw/zinc/67/87/99/605678799.db2.gz	YZGADAFXGUWSJQ-QMMMGPOBSA-N	-2	0	344.418	0.698	20	50		ECGDRL
O=C([O-])NCCC(=O)N[N-]C(=O)c1ccn(-c2ccccc2F)n1	ZINC000834228432	605845578	/nfs/dbraw/zinc/84/55/78/605845578.db2.gz	KCTMGNPENXAASZ-UHFFFAOYSA-N	-2	0	335.295	0.430	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)[C@@]1(C)CCCN(C(=O)[O-])C1	ZINC000833918053	605864917	/nfs/dbraw/zinc/86/49/17/605864917.db2.gz	NIHCLEQGYTVCCK-ZDUSSCGKSA-N	-2	0	326.378	0.993	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CCN(C(=O)[O-])[C@@H](C)[C@H]1C	ZINC000833918946	606015897	/nfs/dbraw/zinc/01/58/97/606015897.db2.gz	XBRBESKEGQKBCO-BDAKNGLRSA-N	-2	0	341.393	0.879	20	50		ECGDRL
C[C@@H](NC(=S)N[N-]C(=O)c1csc(CNC(=O)[O-])n1)C1CC1	ZINC000825465130	603611690	/nfs/dbraw/zinc/61/16/90/603611690.db2.gz	HSQPRFHURYGLKR-ZCFIWIBFSA-N	-2	0	343.434	0.818	20	50		ECGDRL
Cc1ccc(C(=O)[N-]NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])o1	ZINC000830224900	603835782	/nfs/dbraw/zinc/83/57/82/603835782.db2.gz	CQXDXBVFIYEUOB-JTQLQIEISA-N	-2	0	325.321	0.508	20	50		ECGDRL
O=C([O-])N1CC(CC(=O)N[N-]C(=O)C(F)(F)Oc2ccccc2)C1	ZINC000831366186	603837027	/nfs/dbraw/zinc/83/70/27/603837027.db2.gz	DKCVVVSCPWYUBU-UHFFFAOYSA-N	-2	0	343.286	0.806	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1cccc(Cl)c1F	ZINC000834203861	605393374	/nfs/dbraw/zinc/39/33/74/605393374.db2.gz	ICNJGFKKVMODDZ-UHFFFAOYSA-N	-2	0	325.705	0.056	20	50		ECGDRL
CCOC(=O)c1cnc(=NNC(=O)C[C@H](C)NC(=O)[O-])[n-]c1C	ZINC000833860763	605440499	/nfs/dbraw/zinc/44/04/99/605440499.db2.gz	FURILPSGVAUYNQ-ZETCQYMHSA-N	-2	0	325.325	0.451	20	50		ECGDRL
CCOC(=O)c1cnc(=NNC(=O)C(C)(C)CNC(=O)[O-])[n-]c1C	ZINC000833860761	605440892	/nfs/dbraw/zinc/44/08/92/605440892.db2.gz	FTWIOWUOPLAUEK-UHFFFAOYSA-N	-2	0	339.352	0.699	20	50		ECGDRL
Cc1nnc(NNC(=O)[C@H]2CCCCCC[C@H]2NC(=O)[O-])[n-]c1=O	ZINC000830887215	605526793	/nfs/dbraw/zinc/52/67/93/605526793.db2.gz	CVBKPFAXQIXVNB-VHSXEESVSA-N	-2	0	338.368	0.935	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cnc([C@@H]2CCCO2)s1	ZINC000834230407	605973899	/nfs/dbraw/zinc/97/38/99/605973899.db2.gz	YOBZQTMEOWPGGW-QMMMGPOBSA-N	-2	0	342.377	0.803	20	50		ECGDRL
O=C([O-])Nc1cnc(C(=O)[N-]NC(=O)c2ccc([N+](=O)[O-])cc2)cn1	ZINC000834276640	606000084	/nfs/dbraw/zinc/00/00/84/606000084.db2.gz	BKCLYSRIPHLVDI-UHFFFAOYSA-N	-2	0	346.259	0.550	20	50		ECGDRL
O=C([O-])Cn1cnc([N-]S(=O)(=O)c2ccc(CCCl)cc2)n1	ZINC000833277609	600987747	/nfs/dbraw/zinc/98/77/47/600987747.db2.gz	VTPNEGYTILNGFL-UHFFFAOYSA-N	-2	0	344.780	0.945	20	50		ECGDRL
CC[C@@H](C)C(=O)N[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000828699842	601835617	/nfs/dbraw/zinc/83/56/17/601835617.db2.gz	BHHYWARYNQORML-ZCFIWIBFSA-N	-2	0	335.769	0.789	20	50		ECGDRL
O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]NC(=O)c1ccoc1	ZINC000833148197	601838936	/nfs/dbraw/zinc/83/89/36/601838936.db2.gz	DDZVCONEQFDPSG-UHFFFAOYSA-N	-2	0	345.720	0.650	20	50		ECGDRL
C[C@]1(C(=O)NN=c2[n-]c(-c3ccncc3)no2)CCN(C(=O)[O-])C1	ZINC000825679215	603909537	/nfs/dbraw/zinc/90/95/37/603909537.db2.gz	WXLULWHKZKMERP-AWEZNQCLSA-N	-2	0	332.320	0.965	20	50		ECGDRL
CC(=NNC(=O)Nc1ccc(C(=O)[O-])cc1)c1cn(CC(=O)[O-])nn1	ZINC000825798457	604786548	/nfs/dbraw/zinc/78/65/48/604786548.db2.gz	KFQGKKCXCGRALZ-UHFFFAOYSA-N	-2	0	346.303	0.607	20	50		ECGDRL
CCNC(=O)N[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC000833658274	605124809	/nfs/dbraw/zinc/12/48/09/605124809.db2.gz	YTSJCMOMKRRBAN-UHFFFAOYSA-N	-2	0	327.362	0.315	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1ccc(F)c(Cl)c1	ZINC000834203883	605393106	/nfs/dbraw/zinc/39/31/06/605393106.db2.gz	JOWWBIXXTBDMDN-UHFFFAOYSA-N	-2	0	325.705	0.056	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000834231666	605804334	/nfs/dbraw/zinc/80/43/34/605804334.db2.gz	JVRHOPDNMZUKAX-UHFFFAOYSA-N	-2	0	341.798	0.759	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1csc(NC2CC2)n1	ZINC000834230871	605995244	/nfs/dbraw/zinc/99/52/44/605995244.db2.gz	FJQWOXHIUZNJJM-UHFFFAOYSA-N	-2	0	327.366	0.526	20	50		ECGDRL
COc1ccc(Br)c(S(=O)(=O)[N-]NC(=O)[O-])c1	ZINC000832143117	601318419	/nfs/dbraw/zinc/31/84/19/601318419.db2.gz	OKIUIKNEDNTTLQ-UHFFFAOYSA-N	-2	0	325.140	0.919	20	50		ECGDRL
Cc1cc(C)n(CC(=O)N[N-]C(=O)c2ccc(CNC(=O)[O-])o2)n1	ZINC000830017176	603230113	/nfs/dbraw/zinc/23/01/13/603230113.db2.gz	MKAAFEYKNOTFGX-UHFFFAOYSA-N	-2	0	335.320	0.322	20	50		ECGDRL
CSCC[C@H](NC(=O)[O-])C(=O)NNc1nc[n-]c2ncnc1-2	ZINC000829730202	603641756	/nfs/dbraw/zinc/64/17/56/603641756.db2.gz	LCCPKQJSHWKWMD-LURJTMIESA-N	-2	0	325.354	0.185	20	50		ECGDRL
CCOC(=O)c1cnc(=NNC(=O)[C@@H](NC(=O)[O-])C(C)C)[n-]c1C	ZINC000833860993	605441039	/nfs/dbraw/zinc/44/10/39/605441039.db2.gz	JYMHRAIMIJLWBF-JTQLQIEISA-N	-2	0	339.352	0.697	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1ccn(-c2cccc(Cl)c2)n1	ZINC000834203125	605452584	/nfs/dbraw/zinc/45/25/84/605452584.db2.gz	LTYWJIDIFMKDSV-UHFFFAOYSA-N	-2	0	337.723	0.554	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CC[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000833916934	605513481	/nfs/dbraw/zinc/51/34/81/605513481.db2.gz	DFEPBYPCUSHWFH-CBAPKCEASA-N	-2	0	341.393	0.784	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cc(-n2ccnc2)ccn1	ZINC000834230903	605552244	/nfs/dbraw/zinc/55/22/44/605552244.db2.gz	DODHJNXXHMSEHR-UHFFFAOYSA-N	-2	0	332.320	0.076	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000834231840	605802520	/nfs/dbraw/zinc/80/25/20/605802520.db2.gz	KWVKFMVOBOIXPE-UHFFFAOYSA-N	-2	0	337.304	0.322	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cc(-c2cccnc2)on1	ZINC000834230820	605979779	/nfs/dbraw/zinc/97/97/79/605979779.db2.gz	CVJNLBWKIQLPTL-UHFFFAOYSA-N	-2	0	333.304	0.545	20	50		ECGDRL
O=C([O-])Nc1cnc(C(=O)[N-]NC(=O)c2ccc3c(c2)OCO3)cn1	ZINC000834276830	605999783	/nfs/dbraw/zinc/99/97/83/605999783.db2.gz	LHEHDKAQKJWZMB-UHFFFAOYSA-N	-2	0	345.271	0.370	20	50		ECGDRL
CO[C@@H](C)c1nc(C)c(C(=O)[N-]NC(=O)NCCNC(=O)[O-])s1	ZINC000828830638	603447891	/nfs/dbraw/zinc/44/78/91/603447891.db2.gz	MQZPJYRNTIWPFF-ZETCQYMHSA-N	-2	0	345.381	0.371	20	50		ECGDRL
O=C([O-])N1CCO[C@@H](C(=O)N[N-]C(=O)c2cc3ccccc3o2)C1	ZINC000831736075	604888302	/nfs/dbraw/zinc/88/83/02/604888302.db2.gz	GNOITJQLTQWRJB-GFCCVEGCSA-N	-2	0	333.300	0.573	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000834204099	605396088	/nfs/dbraw/zinc/39/60/88/605396088.db2.gz	ZABYFOOERRWYNJ-UHFFFAOYSA-N	-2	0	341.267	0.283	20	50		ECGDRL
O=C([O-])NCC(=O)NNC(=O)c1cccc(Br)c1[O-]	ZINC000834203445	605455432	/nfs/dbraw/zinc/45/54/32/605455432.db2.gz	UTCALOHCUBESJN-UHFFFAOYSA-N	-2	0	332.110	0.183	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1csc([C@H]2CCCO2)n1	ZINC000834230574	605975086	/nfs/dbraw/zinc/97/50/86/605975086.db2.gz	BCTUVEUVVWTNLD-SECBINFHSA-N	-2	0	342.377	0.803	20	50		ECGDRL
Cc1noc(C(F)(F)F)c1C(=O)[N-]NC(=O)CCCNC(=O)[O-]	ZINC000833929502	605976012	/nfs/dbraw/zinc/97/60/12/605976012.db2.gz	VIRRHEKYIMIHOW-UHFFFAOYSA-N	-2	0	338.242	0.811	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1ccc(Cn2cccn2)o1	ZINC000834229705	605978149	/nfs/dbraw/zinc/97/81/49/605978149.db2.gz	GRXPSEQGUZHWGJ-UHFFFAOYSA-N	-2	0	335.320	0.333	20	50		ECGDRL
CCCNC(=O)N[N-]S(=O)(=O)c1ccc(C=CC(=O)[O-])cc1	ZINC000829513427	601327834	/nfs/dbraw/zinc/32/78/34/601327834.db2.gz	NCZUIPQJXAUYEL-YVMONPNESA-N	-2	0	327.362	0.687	20	50		ECGDRL
O=C([O-])c1nscc1S(=O)(=O)[N-]NC(=O)c1ccccc1O	ZINC000833148666	601831786	/nfs/dbraw/zinc/83/17/86/601831786.db2.gz	PDQAYIYOQDCLSI-UHFFFAOYSA-N	-2	0	343.342	0.170	20	50		ECGDRL
CC(C)(C)C(=O)N[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000826135001	601835406	/nfs/dbraw/zinc/83/54/06/601835406.db2.gz	OKEANVYKCCLVCG-UHFFFAOYSA-N	-2	0	335.769	0.789	20	50		ECGDRL
O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]NC(=O)c1ccoc1	ZINC000833149038	601861708	/nfs/dbraw/zinc/86/17/08/601861708.db2.gz	XQUZBMLUMANERL-UHFFFAOYSA-N	-2	0	328.277	0.740	20	50		ECGDRL
C[C@@H](C(=O)N[N-]C(=O)c1cn[nH]n1)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823705382	602863212	/nfs/dbraw/zinc/86/32/12/602863212.db2.gz	VYYDGOCROKQUED-KCJUWKMLSA-N	-2	0	332.320	0.211	20	50		ECGDRL
Cc1ccc(C(=O)[N-]NC(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])o1	ZINC000830224869	603835666	/nfs/dbraw/zinc/83/56/66/603835666.db2.gz	BKQYZDBFTVOXJE-PSASIEDQSA-N	-2	0	325.321	0.852	20	50		ECGDRL
O=C([O-])N1CCO[C@@H](CC(=O)NN=c2[n-]c(-c3ccccc3)no2)C1	ZINC000831387528	604875221	/nfs/dbraw/zinc/87/52/21/604875221.db2.gz	LZHNCGMAKQPXSS-NSHDSACASA-N	-2	0	347.331	0.949	20	50		ECGDRL
Cc1nnc(NNC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)[O-])[n-]c1=O	ZINC000830887216	605526836	/nfs/dbraw/zinc/52/68/36/605526836.db2.gz	CVBKPFAXQIXVNB-ZJUUUORDSA-N	-2	0	338.368	0.935	20	50		ECGDRL
O=C([O-])N1CC(CNC(=O)N[N-]C(=O)c2ccc3ccccc3n2)C1	ZINC000834034923	605742190	/nfs/dbraw/zinc/74/21/90/605742190.db2.gz	CPRPUUHNTBTHQO-UHFFFAOYSA-N	-2	0	343.343	0.789	20	50		ECGDRL
O=C([O-])NCCC(=O)NN=Cc1ccc(OC(F)(F)C(=O)[O-])cc1	ZINC000834227025	605749523	/nfs/dbraw/zinc/74/95/23/605749523.db2.gz	IIGOWWWQSQNVLR-UHFFFAOYSA-N	-2	0	345.258	0.851	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1occc1Br	ZINC000834232331	605974418	/nfs/dbraw/zinc/97/44/18/605974418.db2.gz	RUQYXCBADKCYEL-UHFFFAOYSA-N	-2	0	334.126	0.851	20	50		ECGDRL
Cc1onc(-c2ccccn2)c1C(=O)[N-]NC(=O)CCCNC(=O)[O-]	ZINC000833936179	605974459	/nfs/dbraw/zinc/97/44/59/605974459.db2.gz	LFMNEYAJOCVWKL-UHFFFAOYSA-N	-2	0	347.331	0.854	20	50		ECGDRL
O=C([O-])Nc1cnc(C(=O)[N-]NC(=O)COc2ccccc2F)cn1	ZINC000834277353	605999637	/nfs/dbraw/zinc/99/96/37/605999637.db2.gz	YCBWEGQNQKEUCS-UHFFFAOYSA-N	-2	0	349.278	0.546	20	50		ECGDRL
O=C([O-])Nc1cnc(C(=O)[N-]NC(=O)CNc2ccccc2)cn1	ZINC000834276811	606068395	/nfs/dbraw/zinc/06/83/95/606068395.db2.gz	KJQSIFXBWUMYQZ-UHFFFAOYSA-N	-2	0	330.304	0.440	20	50		ECGDRL
O=C([O-])c1nscc1S(=O)(=O)[N-]NC(=O)c1ccccc1F	ZINC000833149041	601831493	/nfs/dbraw/zinc/83/14/93/601831493.db2.gz	YDPWBAVPEPAADE-UHFFFAOYSA-N	-2	0	345.333	0.604	20	50		ECGDRL
O=C([O-])N(CC(=O)NN=c1[n-]c(-c2cccnc2)no1)CC1CC1	ZINC000831464169	602903076	/nfs/dbraw/zinc/90/30/76/602903076.db2.gz	MXDOCWPSVQJAFL-UHFFFAOYSA-N	-2	0	332.320	0.965	20	50		ECGDRL
O=C([O-])NCCOCC(=O)NN=c1[n-]c(C(F)(F)F)cs1	ZINC000832669166	603483572	/nfs/dbraw/zinc/48/35/72/603483572.db2.gz	UHTVKLBJTDXNSG-UHFFFAOYSA-N	-2	0	328.272	0.889	20	50		ECGDRL
C[C@@H](Oc1ccc(F)cc1)C(=O)N[N-]C(=O)c1cnc(C(=O)[O-])cn1	ZINC000833538644	604790513	/nfs/dbraw/zinc/79/05/13/604790513.db2.gz	GHLOHCBKFVOYGT-MRVPVSSYSA-N	-2	0	348.290	0.542	20	50		ECGDRL
CC(C)NC(=O)N[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC000833503203	605123917	/nfs/dbraw/zinc/12/39/17/605123917.db2.gz	OVBTXJDHNRXXFL-UHFFFAOYSA-N	-2	0	341.389	0.704	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1ccn(-c2ccc(Cl)cc2)n1	ZINC000834203205	605461998	/nfs/dbraw/zinc/46/19/98/605461998.db2.gz	NKDSCBGQYDUSQI-UHFFFAOYSA-N	-2	0	337.723	0.554	20	50		ECGDRL
COc1ccc(CCC(=O)N[N-]C(=O)c2cnc(C(=O)[O-])cn2)cc1	ZINC000833732113	605602746	/nfs/dbraw/zinc/60/27/46/605602746.db2.gz	TVTYSUAPDJUUKR-UHFFFAOYSA-N	-2	0	344.327	0.577	20	50		ECGDRL
O=C([O-])NCCC(=O)N[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000834228109	605843353	/nfs/dbraw/zinc/84/33/53/605843353.db2.gz	AGGBPGAZSJIWRM-UHFFFAOYSA-N	-2	0	330.684	0.667	20	50		ECGDRL
Cc1nscc1C(=O)[N-]NC(=O)NC1CCN(C(=O)[O-])CC1	ZINC000833936453	605871402	/nfs/dbraw/zinc/87/14/02/605871402.db2.gz	PTLFTKARYJWVIE-UHFFFAOYSA-N	-2	0	327.366	0.538	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CCN(C(=O)[O-])[C@H](C)[C@H]1C	ZINC000833918949	606015933	/nfs/dbraw/zinc/01/59/33/606015933.db2.gz	XBRBESKEGQKBCO-RKDXNWHRSA-N	-2	0	341.393	0.879	20	50		ECGDRL
O=C([O-])c1cn(CC(=O)N[N-]C(=O)c2cc3ccccc3o2)nn1	ZINC000833121079	601324926	/nfs/dbraw/zinc/32/49/26/601324926.db2.gz	NRCYQFIICZUETM-UHFFFAOYSA-N	-2	0	329.272	0.184	20	50		ECGDRL
O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]NC(=O)C1CCCC1	ZINC000833344350	601834957	/nfs/dbraw/zinc/83/49/57/601834957.db2.gz	MXYRGOFSPUVFSN-UHFFFAOYSA-N	-2	0	347.780	0.933	20	50		ECGDRL
COCCN(CC(=O)N[N-]C(=O)c1cc2ccccc2o1)C(=O)[O-]	ZINC000828975740	603496471	/nfs/dbraw/zinc/49/64/71/603496471.db2.gz	DNODPHJNSASEMO-UHFFFAOYSA-N	-2	0	335.316	0.820	20	50		ECGDRL
C[C@H](NC(=S)N[N-]C(=O)c1ccc(CNC(=O)[O-])o1)C1CC1	ZINC000825466613	603612345	/nfs/dbraw/zinc/61/23/45/603612345.db2.gz	UIHJLCNOQVAUQM-ZETCQYMHSA-N	-2	0	326.378	0.955	20	50		ECGDRL
O=C([O-])NCCNC(=O)N[N-]C(=O)C(F)(F)Oc1ccccc1	ZINC000832652909	603746718	/nfs/dbraw/zinc/74/67/18/603746718.db2.gz	NLABAWVSPQMVNG-UHFFFAOYSA-N	-2	0	332.263	0.256	20	50		ECGDRL
COc1csc(C(=O)[N-]NC(=O)NC2CCN(C(=O)[O-])CC2)c1	ZINC000829654419	604178396	/nfs/dbraw/zinc/17/83/96/604178396.db2.gz	DSVQDOWWSFPRSM-UHFFFAOYSA-N	-2	0	342.377	0.843	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000830835329	605678871	/nfs/dbraw/zinc/67/88/71/605678871.db2.gz	YZGADAFXGUWSJQ-MRVPVSSYSA-N	-2	0	344.418	0.698	20	50		ECGDRL
Cc1cc(C(=O)[N-]NC(=O)CCNC(=O)[O-])nn1-c1ccccc1	ZINC000833897683	605841688	/nfs/dbraw/zinc/84/16/88/605841688.db2.gz	DIJQZNAALWFPLI-UHFFFAOYSA-N	-2	0	331.332	0.599	20	50		ECGDRL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]NC(=O)C(C)(C)C	ZINC000831939874	601202741	/nfs/dbraw/zinc/20/27/41/601202741.db2.gz	WMHLNIDRHYGEAV-UHFFFAOYSA-N	-2	0	336.391	0.811	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000830834636	603769804	/nfs/dbraw/zinc/76/98/04/603769804.db2.gz	JHVLBNAIELZLPO-DTWKUNHWSA-N	-2	0	341.393	0.832	20	50		ECGDRL
Cc1ccc(C(=O)[N-]NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)o1	ZINC000830225762	603835511	/nfs/dbraw/zinc/83/55/11/603835511.db2.gz	WVCAFIDGIRODRA-UHFFFAOYSA-N	-2	0	338.364	0.423	20	50		ECGDRL
O=C([O-])N1CCC[C@@H]1C(=O)NNC(=O)c1ccc(Cl)cc1[O-]	ZINC000831736650	604001449	/nfs/dbraw/zinc/00/14/49/604001449.db2.gz	RGOZLPPYOZURIO-SECBINFHSA-N	-2	0	327.724	0.949	20	50		ECGDRL
C[C@@H](Oc1ccccc1F)C(=O)N[N-]C(=O)c1cnc(C(=O)[O-])cn1	ZINC000833541216	604790759	/nfs/dbraw/zinc/79/07/59/604790759.db2.gz	AENRACXRYUCGSG-MRVPVSSYSA-N	-2	0	348.290	0.542	20	50		ECGDRL
CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]NC(=O)[O-])s1	ZINC000833421884	604793585	/nfs/dbraw/zinc/79/35/85/604793585.db2.gz	KCXFWUGMOCACDU-UHFFFAOYSA-N	-2	0	349.434	0.914	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000834203849	605392785	/nfs/dbraw/zinc/39/27/85/605392785.db2.gz	HFZWHCVUUNMVFY-UHFFFAOYSA-N	-2	0	327.362	0.143	20	50		ECGDRL
O=C([O-])c1cnc(C(=O)[N-]NC(=O)COCc2ccccc2)cn1	ZINC000833764790	605568180	/nfs/dbraw/zinc/56/81/80/605568180.db2.gz	VJMVKDMHFABVRK-UHFFFAOYSA-N	-2	0	330.300	0.153	20	50		ECGDRL
N#Cc1ccc(S(=O)(=O)[N-]NC(=O)CCCNC(=O)[O-])c(F)c1	ZINC000833976327	605803761	/nfs/dbraw/zinc/80/37/61/605803761.db2.gz	DQHNLJRKLMLFQX-UHFFFAOYSA-N	-2	0	344.324	0.055	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1cccc(F)c1F	ZINC000834230592	605804602	/nfs/dbraw/zinc/80/46/02/605804602.db2.gz	BKPDAARFODIJJM-UHFFFAOYSA-N	-2	0	337.304	0.322	20	50		ECGDRL
O=C([O-])NCCC(=O)N[N-]C(=O)c1csc(-c2ccccn2)n1	ZINC000834229189	605846582	/nfs/dbraw/zinc/84/65/82/605846582.db2.gz	ZQRUQDOKVMESRA-UHFFFAOYSA-N	-2	0	335.345	0.624	20	50		ECGDRL
O=C([O-])N1CCC(NC(=O)N[N-]C(=O)c2ccn(C(F)F)n2)CC1	ZINC000834047000	605996671	/nfs/dbraw/zinc/99/66/71/605996671.db2.gz	FRBFKWAXVABFMX-UHFFFAOYSA-N	-2	0	346.294	0.365	20	50		ECGDRL
O=C([O-])N[C@H](CC(F)F)C(=O)NN=c1[n-]c(-c2ccncc2)no1	ZINC000834136404	606032021	/nfs/dbraw/zinc/03/20/21/606032021.db2.gz	RVXHORQVEPTWFD-SSDOTTSWSA-N	-2	0	342.262	0.866	20	50		ECGDRL
O=C([O-])NCCNC(=O)N[N-]C(=O)c1csc([C@@H]2CCCO2)n1	ZINC000834242949	606062673	/nfs/dbraw/zinc/06/26/73/606062673.db2.gz	CMYOLTHOANXGIT-QMMMGPOBSA-N	-2	0	343.365	0.206	20	50		ECGDRL
O=C([O-])N1CCOC[C@H]1C(=O)N[N-]C(=O)c1cc2ccccc2o1	ZINC000831736744	603497231	/nfs/dbraw/zinc/49/72/31/603497231.db2.gz	UKQGNRGRAOCMHU-JTQLQIEISA-N	-2	0	333.300	0.573	20	50		ECGDRL
O=C([O-])NCCNC(=O)N[N-]C(=O)c1occc1Br	ZINC000832658499	603540094	/nfs/dbraw/zinc/54/00/94/603540094.db2.gz	OXUIMTKVNMWWKN-UHFFFAOYSA-N	-2	0	335.114	0.254	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000830834638	603769559	/nfs/dbraw/zinc/76/95/59/603769559.db2.gz	JHVLBNAIELZLPO-RKDXNWHRSA-N	-2	0	341.393	0.832	20	50		ECGDRL
C[C@H](Oc1ccc(F)cc1)C(=O)N[N-]C(=O)c1cnc(C(=O)[O-])cn1	ZINC000833538645	604790527	/nfs/dbraw/zinc/79/05/27/604790527.db2.gz	GHLOHCBKFVOYGT-QMMMGPOBSA-N	-2	0	348.290	0.542	20	50		ECGDRL
O=C([O-])N1CCO[C@@H](CC(=O)NN=c2[n-]c(-c3ccncc3)no2)C1	ZINC000831388981	604810882	/nfs/dbraw/zinc/81/08/82/604810882.db2.gz	YCMRRCOSSKHNKX-JTQLQIEISA-N	-2	0	348.319	0.344	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000834203838	605393152	/nfs/dbraw/zinc/39/31/52/605393152.db2.gz	GOMPRSAMOCBADW-UHFFFAOYSA-N	-2	0	342.160	0.571	20	50		ECGDRL
CCCNC(=O)NNC(=O)c1cnn([C@@H]2CCCN(C(=O)[O-])C2)c1	ZINC000833855956	605517902	/nfs/dbraw/zinc/51/79/02/605517902.db2.gz	SHUUZXQONFJGGG-LLVKDONJSA-N	-2	0	338.368	0.552	20	50		ECGDRL
O=C([O-])N1CCC2(C[C@H]2C(=O)NNc2nc[n-]c3ncnc2-3)CC1	ZINC000834050568	605932900	/nfs/dbraw/zinc/93/29/00/605932900.db2.gz	ZJUHZTADGTVGHH-QMMMGPOBSA-N	-2	0	331.336	0.576	20	50		ECGDRL
O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]NC(=O)NCC1CC1	ZINC000833138891	601860537	/nfs/dbraw/zinc/86/05/37/601860537.db2.gz	IZKXSPMVCQQEAB-UHFFFAOYSA-N	-2	0	331.325	0.426	20	50		ECGDRL
O=C([O-])NCc1ccc(C(=O)[N-]NC(=O)[C@H]2Cc3ccccc3O2)o1	ZINC000832701675	602780217	/nfs/dbraw/zinc/78/02/17/602780217.db2.gz	DQDWVDRZNVUOEC-CYBMUJFWSA-N	-2	0	345.311	0.812	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1sc(N2CCCC2)nc1Cl	ZINC000834203152	605460747	/nfs/dbraw/zinc/46/07/47/605460747.db2.gz	MCEKTGFLIOPXBM-UHFFFAOYSA-N	-2	0	347.784	0.425	20	50		ECGDRL
Cc1nc2ccccn2c1C(=O)N[N-]C(=O)c1cnc(C(=O)[O-])cn1	ZINC000833757282	605562327	/nfs/dbraw/zinc/56/23/27/605562327.db2.gz	WXALYYHWUIENQT-UHFFFAOYSA-N	-2	0	340.299	0.206	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cnc([C@H]2CCCO2)s1	ZINC000834230404	605974174	/nfs/dbraw/zinc/97/41/74/605974174.db2.gz	YOBZQTMEOWPGGW-MRVPVSSYSA-N	-2	0	342.377	0.803	20	50		ECGDRL
O=C([O-])Nc1cnc(C(=O)[N-]NC(=O)COc2ccc(F)cc2)cn1	ZINC000834276795	605999978	/nfs/dbraw/zinc/99/99/78/605999978.db2.gz	JQUHHAFHLDUBOQ-UHFFFAOYSA-N	-2	0	349.278	0.546	20	50		ECGDRL
CCO[C@@H](C)c1ncc(C(=O)[N-]NC(=O)NCCNC(=O)[O-])s1	ZINC000827360800	602943429	/nfs/dbraw/zinc/94/34/29/602943429.db2.gz	BBSMYPZDDQINMI-ZETCQYMHSA-N	-2	0	345.381	0.452	20	50		ECGDRL
CCC(CC)NC(=O)C(=O)N[N-]C(=O)c1ccc(CNC(=O)[O-])o1	ZINC000826571675	602984255	/nfs/dbraw/zinc/98/42/55/602984255.db2.gz	LAZSDGJWERNFAR-UHFFFAOYSA-N	-2	0	340.336	0.113	20	50		ECGDRL
O=C([O-])NCCNC(=O)NNC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000832657941	603801974	/nfs/dbraw/zinc/80/19/74/603801974.db2.gz	GKNKAZLUZZNFFT-UHFFFAOYSA-N	-2	0	339.333	0.328	20	50		ECGDRL
O=C([O-])NCCNC(=O)N[N-]C(=O)c1c(F)c(F)cc(F)c1F	ZINC000832652476	604010256	/nfs/dbraw/zinc/01/02/56/604010256.db2.gz	BQMHXHYFIFNKSJ-UHFFFAOYSA-N	-2	0	338.217	0.455	20	50		ECGDRL
O=C([O-])NCc1ccc(C(=O)[N-]NC(=S)NCC2CCC2)o1	ZINC000832702221	604033851	/nfs/dbraw/zinc/03/38/51/604033851.db2.gz	LSOFPQSNJVMPSH-UHFFFAOYSA-N	-2	0	326.378	0.956	20	50		ECGDRL
O=C([O-])N1CCO[C@H](C(=O)NN=c2[n-]c(-c3ccccc3)no2)C1	ZINC000831742320	604875070	/nfs/dbraw/zinc/87/50/70/604875070.db2.gz	ANRQFJFRKWTRCV-JTQLQIEISA-N	-2	0	333.304	0.559	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1ccn(-c2ccccc2Cl)n1	ZINC000834202860	605463645	/nfs/dbraw/zinc/46/36/45/605463645.db2.gz	FWNSFWSFTSHCSU-UHFFFAOYSA-N	-2	0	337.723	0.554	20	50		ECGDRL
Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]NC(=O)CNC(=O)[O-]	ZINC000833934420	605465976	/nfs/dbraw/zinc/46/59/76/605465976.db2.gz	JHGJCHKRKGXNKU-UHFFFAOYSA-N	-2	0	331.288	0.279	20	50		ECGDRL
O=C([O-])NCCC(=O)N[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000834228497	605845850	/nfs/dbraw/zinc/84/58/50/605845850.db2.gz	KPXOFHLDOASOMC-UHFFFAOYSA-N	-2	0	330.684	0.667	20	50		ECGDRL
Cc1ccccc1C(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000832976976	600810205	/nfs/dbraw/zinc/81/02/05/600810205.db2.gz	LBIRKFDSUDERCU-UHFFFAOYSA-N	-2	0	337.357	0.655	20	50		ECGDRL
N#Cc1ccc(C(=O)N[N-]C(=O)c2ccc(CNC(=O)[O-])o2)cc1	ZINC000831122901	602770289	/nfs/dbraw/zinc/77/02/89/602770289.db2.gz	VXSLMZYUBFGIOP-UHFFFAOYSA-N	-2	0	328.284	0.994	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-]	ZINC000830834453	603769471	/nfs/dbraw/zinc/76/94/71/603769471.db2.gz	HVCNRADKCNLNMJ-SECBINFHSA-N	-2	0	341.393	0.880	20	50		ECGDRL
C[C@@]1(C(=O)NN=c2[n-]c(-c3cccnc3)no2)CCN(C(=O)[O-])C1	ZINC000825678044	603935524	/nfs/dbraw/zinc/93/55/24/603935524.db2.gz	MYVMQUINSNXOSJ-CQSZACIVSA-N	-2	0	332.320	0.965	20	50		ECGDRL
Cc1cc(S(=O)(=O)[N-]NC(=O)CNC(=O)[O-])c(Cl)cc1F	ZINC000833901853	605391773	/nfs/dbraw/zinc/39/17/73/605391773.db2.gz	SAKSBGHGYVQTCE-UHFFFAOYSA-N	-2	0	339.732	0.365	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1C[C@H](C)N(C(=O)[O-])C[C@@H]1C	ZINC000833918692	605790666	/nfs/dbraw/zinc/79/06/66/605790666.db2.gz	VQPKWCIJVZDZEA-YUMQZZPRSA-N	-2	0	341.393	0.879	20	50		ECGDRL
Cc1oc(S(=O)(=O)[N-]NC(=O)c2cccn2C)cc1C(=O)[O-]	ZINC000833027035	601231419	/nfs/dbraw/zinc/23/14/19/601231419.db2.gz	NRNOVHZZKZAUBU-UHFFFAOYSA-N	-2	0	327.318	0.248	20	50		ECGDRL
Cc1ncsc1C(=O)N[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833010614	601841109	/nfs/dbraw/zinc/84/11/09/601841109.db2.gz	RLDFEZAOVHQVFX-UHFFFAOYSA-N	-2	0	348.387	0.230	20	50		ECGDRL
Cn1cccc1C(=O)N[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000833055151	601856743	/nfs/dbraw/zinc/85/67/43/601856743.db2.gz	FRERAXXHEVIHLL-UHFFFAOYSA-N	-2	0	341.320	0.486	20	50		ECGDRL
Cc1noc(C(F)(F)F)c1C(=O)[N-]NC(=O)NCCNC(=O)[O-]	ZINC000830903801	603802347	/nfs/dbraw/zinc/80/23/47/603802347.db2.gz	GRBJWCFPSVGNPB-UHFFFAOYSA-N	-2	0	339.230	0.213	20	50		ECGDRL
O=C([O-])N1CC[C@](F)(C(=O)NN=c2[n-]c(-c3cccnc3)no2)C1	ZINC000831907542	603878871	/nfs/dbraw/zinc/87/88/71/603878871.db2.gz	FNPXQLUSOJYDLK-CYBMUJFWSA-N	-2	0	336.283	0.667	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1C[C@H](C)N(C(=O)[O-])C[C@H]1C	ZINC000833918691	605790876	/nfs/dbraw/zinc/79/08/76/605790876.db2.gz	VQPKWCIJVZDZEA-SFYZADRCSA-N	-2	0	341.393	0.879	20	50		ECGDRL
Cn1cc(S(=O)(=O)[N-]NC(=O)NCc2ccco2)cc1C(=O)[O-]	ZINC000833054260	600814096	/nfs/dbraw/zinc/81/40/96/600814096.db2.gz	VGAJZEBMFDXVPF-UHFFFAOYSA-N	-2	0	342.333	0.009	20	50		ECGDRL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]NC(=O)NCC1CC1	ZINC000831939837	601202611	/nfs/dbraw/zinc/20/26/11/601202611.db2.gz	UWUFEVKOYSAPOD-UHFFFAOYSA-N	-2	0	349.390	0.357	20	50		ECGDRL
Cc1nnc(NNC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])[n-]c1=O	ZINC000830887929	603825271	/nfs/dbraw/zinc/82/52/71/603825271.db2.gz	XARBZXKZELODTF-PBINXNQUSA-N	-2	0	336.352	0.640	20	50		ECGDRL
O=C([O-])N1CC(OCC(=O)NN=c2[n-]c(-c3ccccc3)no2)C1	ZINC000831537453	604005794	/nfs/dbraw/zinc/00/57/94/604005794.db2.gz	DWTLQERKZKMSKQ-UHFFFAOYSA-N	-2	0	333.304	0.559	20	50		ECGDRL
O=C([O-])N1CC(C(=O)N[N-]C(=O)c2ccc(Br)s2)C1	ZINC000834044825	605508591	/nfs/dbraw/zinc/50/85/91/605508591.db2.gz	JMHWIPVAIYKVNI-UHFFFAOYSA-N	-2	0	348.178	0.881	20	50		ECGDRL
Cc1sc(C(=O)[N-]NC(=O)CCCNC(=O)[O-])cc1[N+](=O)[O-]	ZINC000833936940	605977749	/nfs/dbraw/zinc/97/77/49/605977749.db2.gz	ONRCYHSPQHYHCR-UHFFFAOYSA-N	-2	0	330.322	0.774	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1ccc(Br)o1	ZINC000834229672	605979225	/nfs/dbraw/zinc/97/92/25/605979225.db2.gz	DXHMITMVRXCLGE-UHFFFAOYSA-N	-2	0	334.126	0.851	20	50		ECGDRL
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)NCc2ccco2)cs1	ZINC000833146647	600678402	/nfs/dbraw/zinc/67/84/02/600678402.db2.gz	GSGCOYHHSSYNGU-UHFFFAOYSA-N	-2	0	345.358	0.732	20	50		ECGDRL
Cc1oc(S(=O)(=O)[N-]NC(=O)c2ccccc2O)cc1C(=O)[O-]	ZINC000833027855	601231554	/nfs/dbraw/zinc/23/15/54/601231554.db2.gz	ZDGCRPKTGCKNBB-UHFFFAOYSA-N	-2	0	340.313	0.615	20	50		ECGDRL
COC(=O)c1cc(S(=O)(=O)[N-]NC(=O)[O-])c(Cl)cc1F	ZINC000831348365	601830470	/nfs/dbraw/zinc/83/04/70/601830470.db2.gz	GAIVIXBFBVJXBN-UHFFFAOYSA-N	-2	0	326.689	0.727	20	50		ECGDRL
C[C@H](CC(=O)[O-])C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000827304507	602295735	/nfs/dbraw/zinc/29/57/35/602295735.db2.gz	WIVGRCOGFXGSIL-SECBINFHSA-N	-3	0	332.316	0.450	20	50		ECGDRL
Cc1nnc(NNC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)[n-]c1=O	ZINC000830887558	603442956	/nfs/dbraw/zinc/44/29/56/603442956.db2.gz	NTBHVMKLBIQGCL-GZMMTYOYSA-N	-2	0	346.347	0.974	20	50		ECGDRL
Cc1nnc(NNC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)[n-]c1=O	ZINC000830887427	604579036	/nfs/dbraw/zinc/57/90/36/604579036.db2.gz	KGONRNYNVCABCE-SCZZXKLOSA-N	-2	0	338.368	0.745	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000834230881	605804505	/nfs/dbraw/zinc/80/45/05/605804505.db2.gz	FWUNSVJDBOLORU-UHFFFAOYSA-N	-2	0	337.304	0.322	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000834230079	605978062	/nfs/dbraw/zinc/97/80/62/605978062.db2.gz	PMEGXWKZVHSBHX-UHFFFAOYSA-N	-2	0	328.256	0.543	20	50		ECGDRL
Cc1nnc(NNC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)[n-]c1=O	ZINC000830888013	603443232	/nfs/dbraw/zinc/44/32/32/603443232.db2.gz	ZNBCFSOWYZJKCZ-JTQLQIEISA-N	-2	0	332.320	0.380	20	50		ECGDRL
C[C@@]1(C(=O)NN=c2[n-]c(-c3ccncc3)no2)CCN(C(=O)[O-])C1	ZINC000825679217	603909881	/nfs/dbraw/zinc/90/98/81/603909881.db2.gz	WXLULWHKZKMERP-CQSZACIVSA-N	-2	0	332.320	0.965	20	50		ECGDRL
CC(C)CC(=O)N[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833474038	605327773	/nfs/dbraw/zinc/32/77/73/605327773.db2.gz	SWZIXUNOALEYQO-UHFFFAOYSA-N	-2	0	345.333	0.649	20	50		ECGDRL
CC(C)Cc1ccc(S(=O)(=O)[N-]NC(=O)NCC(=O)[O-])cc1	ZINC000833495074	605599406	/nfs/dbraw/zinc/59/94/06/605599406.db2.gz	VCGXABRLIQYUOL-UHFFFAOYSA-N	-2	0	329.378	0.462	20	50		ECGDRL
Cn1ncc(C(=O)[N-]NC(=O)CCCNC(=O)[O-])c1C(F)(F)F	ZINC000833959273	605978859	/nfs/dbraw/zinc/97/88/59/605978859.db2.gz	RYCYWJNWPHOAFP-UHFFFAOYSA-N	-2	0	337.258	0.248	20	50		ECGDRL
Cn1cccc1C(=O)N[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC000833056284	601319177	/nfs/dbraw/zinc/31/91/77/601319177.db2.gz	NCSJHTVCTJSOBJ-TWGQIWQCSA-N	-2	0	349.368	0.746	20	50		ECGDRL
O=C([O-])NCc1ccc(C(=O)[N-]NC(=O)COc2ccccc2O)o1	ZINC000832701693	602884431	/nfs/dbraw/zinc/88/44/31/602884431.db2.gz	FGJQBLPTFAWVHD-UHFFFAOYSA-N	-2	0	349.299	0.593	20	50		ECGDRL
Cc1nnc(NNC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)[n-]c1=O	ZINC000830887428	604578989	/nfs/dbraw/zinc/57/89/89/604578989.db2.gz	KGONRNYNVCABCE-WCBMZHEXSA-N	-2	0	338.368	0.745	20	50		ECGDRL
O=C([O-])NCC(=O)NN=Cc1ccc(OC(F)(F)C(=O)[O-])cc1	ZINC000834201946	605387508	/nfs/dbraw/zinc/38/75/08/605387508.db2.gz	OCLDIGUXEAIHLJ-UHFFFAOYSA-N	-2	0	331.231	0.461	20	50		ECGDRL
O=C([O-])N1CCO[C@@H](C(=O)NN=c2[n-]c(C(F)(F)F)cs2)C1	ZINC000831742926	605397157	/nfs/dbraw/zinc/39/71/57/605397157.db2.gz	WDNQTZOQPCNTEE-RXMQYKEDSA-N	-2	0	340.283	0.984	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1C[C@H](CNC(=O)[O-])C[C@H]1C	ZINC000833918256	605920458	/nfs/dbraw/zinc/92/04/58/605920458.db2.gz	RMDKTXAMWLONCA-APPZFPTMSA-N	-2	0	341.393	0.784	20	50		ECGDRL
CCCNC(=O)N[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000829512971	601828879	/nfs/dbraw/zinc/82/88/79/601828879.db2.gz	DBHBQPBNQXDCRZ-UHFFFAOYSA-N	-2	0	335.769	0.941	20	50		ECGDRL
CC(C)NC(=O)N[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000826975961	601829047	/nfs/dbraw/zinc/82/90/47/601829047.db2.gz	GEXJXFCMZUNZSQ-UHFFFAOYSA-N	-2	0	335.769	0.939	20	50		ECGDRL
CC(C)CC(=O)N[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000826753813	601831369	/nfs/dbraw/zinc/83/13/69/601831369.db2.gz	FXFWFQIRMHEJMM-UHFFFAOYSA-N	-2	0	335.769	0.789	20	50		ECGDRL
O=C([O-])N1CCO[C@H](CC(=O)N[N-]C(=O)c2cc3ccccc3o2)C1	ZINC000831387159	604888626	/nfs/dbraw/zinc/88/86/26/604888626.db2.gz	CBLRXSDYVFJTOB-LLVKDONJSA-N	-2	0	347.327	0.963	20	50		ECGDRL
CCOC(=O)c1cnc(=NNC(=O)CC(C)(C)NC(=O)[O-])[n-]c1C	ZINC000833860958	605440852	/nfs/dbraw/zinc/44/08/52/605440852.db2.gz	IVETVVOLAUJKKO-UHFFFAOYSA-N	-2	0	339.352	0.841	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1ccn(-c2c(F)cccc2F)n1	ZINC000834203439	605459066	/nfs/dbraw/zinc/45/90/66/605459066.db2.gz	ULOYMVIDRYOHTP-UHFFFAOYSA-N	-2	0	339.258	0.179	20	50		ECGDRL
Cc1ccc(C#N)cc1S(=O)(=O)[N-]NC(=O)CCCNC(=O)[O-]	ZINC000833901397	605801288	/nfs/dbraw/zinc/80/12/88/605801288.db2.gz	JMWLIMDDBFPQDE-UHFFFAOYSA-N	-2	0	340.361	0.224	20	50		ECGDRL
N#Cc1cc(F)c(C(=O)[N-]NC(=O)CCCNC(=O)[O-])c(F)c1	ZINC000833975257	605977089	/nfs/dbraw/zinc/97/70/89/605977089.db2.gz	UJEPPXOOLSBJNO-UHFFFAOYSA-N	-2	0	326.259	0.645	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cccc(Br)n1	ZINC000834230160	605979128	/nfs/dbraw/zinc/97/91/28/605979128.db2.gz	TVOQZGRLOJDZFT-UHFFFAOYSA-N	-2	0	345.153	0.653	20	50		ECGDRL
O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NN=c1[n-]c(-c2ccccc2)no1	ZINC000831742366	603778011	/nfs/dbraw/zinc/77/80/11/603778011.db2.gz	CICYBWYJYVETQQ-ZJUUUORDSA-N	-2	0	333.304	0.293	20	50		ECGDRL
CC(C)(C)OC(=O)N[N-]C(=O)c1ccc(C(=O)[N-]NC(=O)[O-])o1	ZINC000823822641	604640138	/nfs/dbraw/zinc/64/01/38/604640138.db2.gz	PNUUWULQHFBKEA-UHFFFAOYSA-N	-3	0	328.281	0.362	20	50		ECGDRL
O=C([O-])N1CCO[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2[O-])C1	ZINC000831736743	604828706	/nfs/dbraw/zinc/82/87/06/604828706.db2.gz	UIGHJGDSBMKTNR-SNVBAGLBSA-N	-2	0	343.723	0.185	20	50		ECGDRL
Cc1nnc(NNC(=O)C[C@@H](NC(=O)[O-])c2ccccc2)[n-]c1=O	ZINC000833925631	605627763	/nfs/dbraw/zinc/62/77/63/605627763.db2.gz	GUIBNEDTXUNXIL-SNVBAGLBSA-N	-2	0	332.320	0.728	20	50		ECGDRL
O=C([O-])N[N-]C(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F	ZINC000834251320	605762251	/nfs/dbraw/zinc/76/22/51/605762251.db2.gz	NMELUOLMDINZIU-UHFFFAOYSA-N	-2	0	332.185	0.744	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1C[C@@H](C)N(C(=O)[O-])C[C@@H]1C	ZINC000833918690	605791159	/nfs/dbraw/zinc/79/11/59/605791159.db2.gz	VQPKWCIJVZDZEA-JGVFFNPUSA-N	-2	0	341.393	0.879	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1ccn(-c2ccccc2F)n1	ZINC000834229977	605976305	/nfs/dbraw/zinc/97/63/05/605976305.db2.gz	MSDYJLBXQBTRFY-UHFFFAOYSA-N	-2	0	349.322	0.820	20	50		ECGDRL
Cc1oc(S(=O)(=O)[N-]NC(=O)c2cccc(C#N)c2)cc1C(=O)[O-]	ZINC000833026467	601234088	/nfs/dbraw/zinc/23/40/88/601234088.db2.gz	DFMMXXLYJJMCRO-UHFFFAOYSA-N	-2	0	349.324	0.781	20	50		ECGDRL
O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N[N-]C(=O)c1cc2ccccc2o1	ZINC000831736952	603497401	/nfs/dbraw/zinc/49/74/01/603497401.db2.gz	YRHQDVJFLPURSE-UWVGGRQHSA-N	-2	0	333.300	0.307	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CCC[C@H]1CN(C)C(=O)[O-]	ZINC000830834454	603769653	/nfs/dbraw/zinc/76/96/53/603769653.db2.gz	HVCNRADKCNLNMJ-VIFPVBQESA-N	-2	0	341.393	0.880	20	50		ECGDRL
O=C([O-])NCC(=O)NN=c1[nH]c(Br)cn2ccnc12	ZINC000832397337	604068758	/nfs/dbraw/zinc/06/87/58/604068758.db2.gz	RUBUOUIFNGECCI-UHFFFAOYSA-N	-2	0	329.114	0.203	20	50		ECGDRL
CCOC(=O)c1cnc(=NNC(=O)[C@@H]2CCN(C(=O)[O-])C2)[n-]c1C	ZINC000833860999	605440697	/nfs/dbraw/zinc/44/06/97/605440697.db2.gz	KAGSNUKBDKHWNH-SECBINFHSA-N	-2	0	337.336	0.405	20	50		ECGDRL
CC(C)(C)c1ccccc1S(=O)(=O)[N-]NC(=O)NCC(=O)[O-]	ZINC000833449362	605598020	/nfs/dbraw/zinc/59/80/20/605598020.db2.gz	JDWUKKZKGQELNE-UHFFFAOYSA-N	-2	0	329.378	0.561	20	50		ECGDRL
CC(C)CCc1ccc(S(=O)(=O)[N-]NC(=O)NCC(=O)[O-])cc1	ZINC000833484836	605599464	/nfs/dbraw/zinc/59/94/64/605599464.db2.gz	XHFLTJFPXGJCPH-UHFFFAOYSA-N	-2	0	343.405	0.852	20	50		ECGDRL
O=C([O-])NCCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000834229963	605995368	/nfs/dbraw/zinc/99/53/68/605995368.db2.gz	LZAHOECFLKCGKK-UHFFFAOYSA-N	-2	0	326.265	0.109	20	50		ECGDRL
O=C([O-])Nc1cnc(C(=O)NN=c2[n-]c(-c3cccnc3)no2)cn1	ZINC000834277799	606056505	/nfs/dbraw/zinc/05/65/05/606056505.db2.gz	RCRVYKTWSFSWDW-UHFFFAOYSA-N	-2	0	342.275	0.768	20	50		ECGDRL
O=C([O-])N[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1	ZINC000833280313	601318127	/nfs/dbraw/zinc/31/81/27/601318127.db2.gz	GGZBQEYOXCDDMZ-UHFFFAOYSA-N	-3	0	339.123	0.608	20	50		ECGDRL
O=C([O-])c1nscc1S(=O)(=O)[N-]NC(=O)c1ccccc1	ZINC000833148999	601830310	/nfs/dbraw/zinc/83/03/10/601830310.db2.gz	VZSRIOHKOVZCSW-UHFFFAOYSA-N	-2	0	327.343	0.465	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000830830156	603758836	/nfs/dbraw/zinc/75/88/36/603758836.db2.gz	VHPPXOKEQZXUKU-JGVFFNPUSA-N	-2	0	342.377	0.716	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1cnc(-c2ccccc2F)s1	ZINC000834203235	605458698	/nfs/dbraw/zinc/45/86/98/605458698.db2.gz	NZRUIEGBRNHFON-UHFFFAOYSA-N	-2	0	338.320	0.978	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1cc(Oc2ccccc2)ccn1	ZINC000834203374	605461842	/nfs/dbraw/zinc/46/18/42/605461842.db2.gz	OQRKLXLBGNLVDJ-UHFFFAOYSA-N	-2	0	330.300	0.903	20	50		ECGDRL
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)NCC2CC2)ccc1Cl	ZINC000833137944	601829546	/nfs/dbraw/zinc/82/95/46/601829546.db2.gz	DEWZRQNSVJLTRR-UHFFFAOYSA-N	-2	0	347.780	0.941	20	50		ECGDRL
C[C@H](CC(=O)N[N-]C(=O)C(F)(F)Oc1ccccc1)NC(=O)[O-]	ZINC000824671736	602988749	/nfs/dbraw/zinc/98/87/49/602988749.db2.gz	KWZHUXRERRRKDM-MRVPVSSYSA-N	-2	0	331.275	0.852	20	50		ECGDRL
O=C([O-])N1CC(OCC(=O)N[N-]C(=O)c2cc3ccccc3o2)C1	ZINC000831537711	603495508	/nfs/dbraw/zinc/49/55/08/603495508.db2.gz	JLCOPAGNCNSTNT-UHFFFAOYSA-N	-2	0	333.300	0.573	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000830834637	603769594	/nfs/dbraw/zinc/76/95/94/603769594.db2.gz	JHVLBNAIELZLPO-IUCAKERBSA-N	-2	0	341.393	0.832	20	50		ECGDRL
CCOC(=O)c1cnc(=NNC(=O)[C@H](CC)NC(=O)[O-])[n-]c1C	ZINC000833861717	605442229	/nfs/dbraw/zinc/44/22/29/605442229.db2.gz	VATMLPWPKQFJAC-VIFPVBQESA-N	-2	0	325.325	0.451	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1csc(Cc2ccccc2)n1	ZINC000834203252	605455351	/nfs/dbraw/zinc/45/53/51/605455351.db2.gz	OYXSNYAHTNCPME-UHFFFAOYSA-N	-2	0	334.357	0.763	20	50		ECGDRL
Cc1cc(S(=O)(=O)[N-]NC(=O)CCCNC(=O)[O-])sc1C	ZINC000833900840	605860280	/nfs/dbraw/zinc/86/02/80/605860280.db2.gz	CYOYLDBENCEVAG-UHFFFAOYSA-N	-2	0	335.407	0.722	20	50		ECGDRL
Cc1oc(S(=O)(=O)[N-]NC(=O)NCc2ccco2)cc1C(=O)[O-]	ZINC000833026489	601233029	/nfs/dbraw/zinc/23/30/29/601233029.db2.gz	GABYLXPIWPHHSB-UHFFFAOYSA-N	-2	0	343.317	0.572	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CCC[C@H]1CNC(=O)[O-]	ZINC000830834825	603769607	/nfs/dbraw/zinc/76/96/07/603769607.db2.gz	PUBVVAPDMCPSRH-QMMMGPOBSA-N	-2	0	327.366	0.538	20	50		ECGDRL
Cc1nc(-c2ccccc2)oc1C(=O)[N-]NC(=O)NCCNC(=O)[O-]	ZINC000830696871	603803639	/nfs/dbraw/zinc/80/36/39/603803639.db2.gz	AGWDGYMUBNRASU-UHFFFAOYSA-N	-2	0	347.331	0.862	20	50		ECGDRL
CC(C)C(=O)N[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC000833467911	605123902	/nfs/dbraw/zinc/12/39/02/605123902.db2.gz	XBPRFBXKGHTCRT-UHFFFAOYSA-N	-2	0	326.374	0.768	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cc(-c2ccncc2)on1	ZINC000834232517	605977709	/nfs/dbraw/zinc/97/77/09/605977709.db2.gz	RTOFUKHVOSBHTQ-UHFFFAOYSA-N	-2	0	333.304	0.545	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1ccn(-c2ccc(F)cc2)n1	ZINC000834230036	605979373	/nfs/dbraw/zinc/97/93/73/605979373.db2.gz	OLYQSZKGCRRKBY-UHFFFAOYSA-N	-2	0	349.322	0.820	20	50		ECGDRL
Cn1cccc1C(=O)N[N-]S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000833056649	600672223	/nfs/dbraw/zinc/67/22/23/600672223.db2.gz	WTAVLYWJRSRUGV-UHFFFAOYSA-N	-2	0	329.359	0.408	20	50		ECGDRL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]NC(=O)c1ccoc1	ZINC000831939901	601203784	/nfs/dbraw/zinc/20/37/84/601203784.db2.gz	YDAMTBFNAWZWNH-UHFFFAOYSA-N	-2	0	346.342	0.671	20	50		ECGDRL
CCCNC(=O)N[N-]S(=O)(=O)c1ccc(C=CC(=O)[O-])cc1	ZINC000829513426	601327643	/nfs/dbraw/zinc/32/76/43/601327643.db2.gz	NCZUIPQJXAUYEL-VMPITWQZSA-N	-2	0	327.362	0.687	20	50		ECGDRL
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)c2ccc[nH]2)cc(F)c1F	ZINC000833149044	601832698	/nfs/dbraw/zinc/83/26/98/601832698.db2.gz	YGMDRLSMPRTRGW-UHFFFAOYSA-N	-2	0	345.283	0.614	20	50		ECGDRL
O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]NC(=O)NC1CCCC1	ZINC000833148661	601860411	/nfs/dbraw/zinc/86/04/11/601860411.db2.gz	OZGWCQKUOLELIU-UHFFFAOYSA-N	-2	0	345.352	0.959	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000830834202	603769949	/nfs/dbraw/zinc/76/99/49/603769949.db2.gz	FZRZFHDSCCAZIU-ZETCQYMHSA-N	-2	0	327.366	0.490	20	50		ECGDRL
O=C([O-])N1CCO[C@@H](C(=O)NN=c2[n-]c(-c3ccccc3)no2)C1	ZINC000831742321	604876320	/nfs/dbraw/zinc/87/63/20/604876320.db2.gz	ANRQFJFRKWTRCV-SNVBAGLBSA-N	-2	0	333.304	0.559	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1csc(-c2cccs2)n1	ZINC000834202813	605461055	/nfs/dbraw/zinc/46/10/55/605461055.db2.gz	CQADKOWFRXEWDS-UHFFFAOYSA-N	-2	0	326.359	0.900	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1csc(-c2ccc(O)cc2)n1	ZINC000834203192	605471516	/nfs/dbraw/zinc/47/15/16/605471516.db2.gz	NAZKTJXXNVKKSV-UHFFFAOYSA-N	-2	0	336.329	0.544	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C	ZINC000830834414	605528846	/nfs/dbraw/zinc/52/88/46/605528846.db2.gz	HCYOMGYQITUWRC-CBAPKCEASA-N	-2	0	341.393	0.926	20	50		ECGDRL
Cc1cc(C(=O)[N-]NC(=O)CCCNC(=O)[O-])nn1-c1ccccc1	ZINC000833898636	605975790	/nfs/dbraw/zinc/97/57/90/605975790.db2.gz	QXFUHUPHCXRNRI-UHFFFAOYSA-N	-2	0	345.359	0.990	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1ccn(-c2ccccc2)n1	ZINC000834229676	605979314	/nfs/dbraw/zinc/97/93/14/605979314.db2.gz	FEJZAABJQSABPK-UHFFFAOYSA-N	-2	0	331.332	0.681	20	50		ECGDRL
C[C@@H](CC(=O)N[N-]C(=O)C(F)(F)Oc1ccccc1)NC(=O)[O-]	ZINC000824671737	602988535	/nfs/dbraw/zinc/98/85/35/602988535.db2.gz	KWZHUXRERRRKDM-QMMMGPOBSA-N	-2	0	331.275	0.852	20	50		ECGDRL
O=C([O-])NC[C@@H](C(=O)N[N-]C(=O)c1ccccn1)c1ccccc1	ZINC000832408486	603210668	/nfs/dbraw/zinc/21/06/68/603210668.db2.gz	SQVGUNWVTISYSW-GFCCVEGCSA-N	-2	0	328.328	0.894	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CCC[C@@H]1CNC(=O)[O-]	ZINC000830834824	603769902	/nfs/dbraw/zinc/76/99/02/603769902.db2.gz	PUBVVAPDMCPSRH-MRVPVSSYSA-N	-2	0	327.366	0.538	20	50		ECGDRL
Cc1ccc(C(=O)[N-]NC(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])o1	ZINC000830224872	603835689	/nfs/dbraw/zinc/83/56/89/603835689.db2.gz	BKQYZDBFTVOXJE-WPRPVWTQSA-N	-2	0	325.321	0.852	20	50		ECGDRL
O=C([O-])NCCC(=O)NN=c1[nH]c(Br)cn2ccnc12	ZINC000832599483	604068160	/nfs/dbraw/zinc/06/81/60/604068160.db2.gz	PVOXSCDSXHWVLT-UHFFFAOYSA-N	-2	0	343.141	0.593	20	50		ECGDRL
Cc1ncsc1C(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000833010495	601234078	/nfs/dbraw/zinc/23/40/78/601234078.db2.gz	NIFYDHSNYPBEAY-UHFFFAOYSA-N	-2	0	345.358	0.674	20	50		ECGDRL
O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NN=c1[n-]c(-c2ccccc2)no1	ZINC000831742364	603778092	/nfs/dbraw/zinc/77/80/92/603778092.db2.gz	CICYBWYJYVETQQ-UWVGGRQHSA-N	-2	0	333.304	0.293	20	50		ECGDRL
O=C([O-])N1CC[C@](F)(C(=O)NN=c2[n-]c(-c3ccncc3)no2)C1	ZINC000831908024	603872979	/nfs/dbraw/zinc/87/29/79/603872979.db2.gz	NRPOSXSZJLYMDE-CYBMUJFWSA-N	-2	0	336.283	0.667	20	50		ECGDRL
O=C([O-])N1CCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1[O-]	ZINC000831736651	604001752	/nfs/dbraw/zinc/00/17/52/604001752.db2.gz	RGOZLPPYOZURIO-VIFPVBQESA-N	-2	0	327.724	0.949	20	50		ECGDRL
O=C([O-])N1CC(NC(=O)N[N-]C(=O)c2ccc3ccccc3n2)C1	ZINC000831742947	604622062	/nfs/dbraw/zinc/62/20/62/604622062.db2.gz	XFNXMLNYSDHLDV-UHFFFAOYSA-N	-2	0	329.316	0.541	20	50		ECGDRL
O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1cc(Cl)sc1Cl	ZINC000834204009	605394425	/nfs/dbraw/zinc/39/44/25/605394425.db2.gz	RJZFSPMOPGOFJN-UHFFFAOYSA-N	-3	0	348.189	0.632	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)CC[C@@H]1CCN(C(=O)[O-])C1	ZINC000833919052	605458607	/nfs/dbraw/zinc/45/86/07/605458607.db2.gz	ZWIOPYGEZCIFIK-SECBINFHSA-N	-2	0	326.378	0.993	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000834232868	605805437	/nfs/dbraw/zinc/80/54/37/605805437.db2.gz	ZZYXGAVYUIMOQK-UHFFFAOYSA-N	-2	0	341.389	0.533	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1ccccc1Cl	ZINC000834232867	605805482	/nfs/dbraw/zinc/80/54/82/605805482.db2.gz	ZZSQWGMAOMYWRJ-UHFFFAOYSA-N	-2	0	335.769	0.697	20	50		ECGDRL
O=C([O-])N(CC(=O)NNC(=O)c1ccc(Cl)cc1[O-])C1CC1	ZINC000834001547	605989492	/nfs/dbraw/zinc/98/94/92/605989492.db2.gz	NIALQFVQYCNXFF-UHFFFAOYSA-N	-2	0	327.724	0.949	20	50		ECGDRL
N#Cc1ccc(C(=O)N[N-]C(=O)c2cnc(NC(=O)[O-])cn2)cc1	ZINC000833972900	606002338	/nfs/dbraw/zinc/00/23/38/606002338.db2.gz	IGFANIUZBMTUBY-UHFFFAOYSA-N	-2	0	326.272	0.513	20	50		ECGDRL
O=C([O-])c1nscc1S(=O)(=O)[N-]NC(=O)NC1CCCC1	ZINC000833148641	601838909	/nfs/dbraw/zinc/83/89/09/601838909.db2.gz	ODDDJGMBWXRCLA-UHFFFAOYSA-N	-2	0	334.379	0.276	20	50		ECGDRL
C[C@]1(C(=O)NN=c2[n-]c(-c3cccnc3)no2)CCN(C(=O)[O-])C1	ZINC000825678043	603935454	/nfs/dbraw/zinc/93/54/54/603935454.db2.gz	MYVMQUINSNXOSJ-AWEZNQCLSA-N	-2	0	332.320	0.965	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000834204056	605394233	/nfs/dbraw/zinc/39/42/33/605394233.db2.gz	UZNRCBKEUBBVOX-UHFFFAOYSA-N	-2	0	349.368	0.931	20	50		ECGDRL
COCCN(CCNC(=O)N[N-]C(=O)c1ccc(C)o1)C(=O)[O-]	ZINC000833885817	605418966	/nfs/dbraw/zinc/41/89/66/605418966.db2.gz	LFZHUBWCNWZWKU-UHFFFAOYSA-N	-2	0	328.325	0.158	20	50		ECGDRL
CC(C)(C)c1ccc(S(=O)(=O)[N-]NC(=O)NCC(=O)[O-])s1	ZINC000833449632	605598047	/nfs/dbraw/zinc/59/80/47/605598047.db2.gz	OZWOQSJTDSZFFD-UHFFFAOYSA-N	-2	0	335.407	0.623	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cc(-n2cccn2)ccn1	ZINC000834231713	605973934	/nfs/dbraw/zinc/97/39/34/605973934.db2.gz	ODPFMBUFDZHKLT-UHFFFAOYSA-N	-2	0	332.320	0.076	20	50		ECGDRL
O=C([O-])NCCNC(=O)N[N-]C(=O)c1csc([C@H]2CCCO2)n1	ZINC000834242947	606062622	/nfs/dbraw/zinc/06/26/22/606062622.db2.gz	CMYOLTHOANXGIT-MRVPVSSYSA-N	-2	0	343.365	0.206	20	50		ECGDRL
Cc1nnc(NNC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)[n-]c1=O	ZINC000830887561	603442912	/nfs/dbraw/zinc/44/29/12/603442912.db2.gz	NTBHVMKLBIQGCL-LDYMZIIASA-N	-2	0	346.347	0.974	20	50		ECGDRL
CC(C)Oc1cccnc1C(=O)[N-]NC(=O)NCCNC(=O)[O-]	ZINC000824425178	603459142	/nfs/dbraw/zinc/45/91/42/603459142.db2.gz	MEMVVCQODAWZQX-UHFFFAOYSA-N	-2	0	325.325	0.080	20	50		ECGDRL
N#Cc1csc(C(=O)[N-]NC(=O)NC2CCN(C(=O)[O-])CC2)c1	ZINC000831161688	603800650	/nfs/dbraw/zinc/80/06/50/603800650.db2.gz	IYJXPJLTQKHPPE-UHFFFAOYSA-N	-2	0	337.361	0.706	20	50		ECGDRL
Cc1nnc(NNC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)[n-]c1=O	ZINC000830887426	604578799	/nfs/dbraw/zinc/57/87/99/604578799.db2.gz	KGONRNYNVCABCE-PSASIEDQSA-N	-2	0	338.368	0.745	20	50		ECGDRL
O=C([O-])N1CCO[C@H](CC(=O)NN=c2[n-]c(-c3ccccc3)no2)C1	ZINC000831387527	604875312	/nfs/dbraw/zinc/87/53/12/604875312.db2.gz	LZHNCGMAKQPXSS-LLVKDONJSA-N	-2	0	347.331	0.949	20	50		ECGDRL
CC(C)C(=O)N[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-]	ZINC000833466988	605148885	/nfs/dbraw/zinc/14/88/85/605148885.db2.gz	JXTUUTNYPRDMCH-UHFFFAOYSA-N	-2	0	337.357	0.899	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)[C@]1(C)CCCN(C(=O)[O-])C1	ZINC000833918050	605864966	/nfs/dbraw/zinc/86/49/66/605864966.db2.gz	NIHCLEQGYTVCCK-CYBMUJFWSA-N	-2	0	326.378	0.993	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000834229652	605976379	/nfs/dbraw/zinc/97/63/79/605976379.db2.gz	CUFDLGFZHQGRLU-UHFFFAOYSA-N	-2	0	328.256	0.543	20	50		ECGDRL
O=C([O-])NCCCC(=O)NN=Cc1[nH]nc2cc(C(=O)[O-])ccc12	ZINC000834228709	606007678	/nfs/dbraw/zinc/00/76/78/606007678.db2.gz	ODELJILFKOPNDH-UHFFFAOYSA-N	-2	0	333.304	0.759	20	50		ECGDRL
O=C([O-])N[C@H](CC(F)F)C(=O)NN=c1[n-]c(-c2cccnc2)no1	ZINC000834134482	606044255	/nfs/dbraw/zinc/04/42/55/606044255.db2.gz	JEBDDUPQZHFDJD-SSDOTTSWSA-N	-2	0	342.262	0.866	20	50		ECGDRL
O=C([O-])N1CCC(NC(=O)N[N-]C(=O)c2cccc(F)n2)CC1	ZINC000834046842	606057446	/nfs/dbraw/zinc/05/74/46/606057446.db2.gz	FBXOZFUVUPRKNB-UHFFFAOYSA-N	-2	0	325.300	0.307	20	50		ECGDRL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]NC(=O)C1CCCC1	ZINC000831939864	601202786	/nfs/dbraw/zinc/20/27/86/601202786.db2.gz	VYBHVCHAIZJFHY-UHFFFAOYSA-N	-2	0	348.402	0.955	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000834203916	605394241	/nfs/dbraw/zinc/39/42/41/605394241.db2.gz	LULWZSGDHBLBIW-UHFFFAOYSA-N	-2	0	342.160	0.571	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1nn(-c2ccccc2)c2c1CCC2	ZINC000834202794	605445140	/nfs/dbraw/zinc/44/51/40/605445140.db2.gz	BQOMSRKDIPFBFZ-UHFFFAOYSA-N	-2	0	343.343	0.390	20	50		ECGDRL
O=C([O-])Nc1cnc(C(=O)[N-]NC(=O)[C@@H]2Cc3ccccc3O2)cn1	ZINC000834277055	606002823	/nfs/dbraw/zinc/00/28/23/606002823.db2.gz	RFJYLEQTJROCCY-NSHDSACASA-N	-2	0	343.299	0.331	20	50		ECGDRL
O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NN=c1[n-]c(-c2ccccc2)no1	ZINC000831742365	603778088	/nfs/dbraw/zinc/77/80/88/603778088.db2.gz	CICYBWYJYVETQQ-VHSXEESVSA-N	-2	0	333.304	0.293	20	50		ECGDRL
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]NC(=O)[O-])s1	ZINC000833474006	604685475	/nfs/dbraw/zinc/68/54/75/604685475.db2.gz	RILCIVQLJHYBEW-UHFFFAOYSA-N	-2	0	349.434	0.914	20	50		ECGDRL
O=C([O-])N1CCSC[C@H]1CC(=O)NNc1nc[n-]c2ncnc1-2	ZINC000831414839	605313407	/nfs/dbraw/zinc/31/34/07/605313407.db2.gz	ULIPDVWPOIEIPR-SSDOTTSWSA-N	-2	0	337.365	0.282	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)NC[C@@H]1CCN(C(=O)[O-])C1	ZINC000833916947	605385330	/nfs/dbraw/zinc/38/53/30/605385330.db2.gz	DINYDDHUQISIPN-QMMMGPOBSA-N	-2	0	327.366	0.395	20	50		ECGDRL
Cc1ccc(C(=O)[N-]NC(=O)C[C@H]2CSCCN2C(=O)[O-])o1	ZINC000830225715	605812076	/nfs/dbraw/zinc/81/20/76/605812076.db2.gz	VCINAFUECNNBCP-VIFPVBQESA-N	-2	0	327.362	0.835	20	50		ECGDRL
O=C([O-])N[C@@H](CC(F)F)C(=O)NN=c1[n-]c(-c2cccnc2)no1	ZINC000834134489	606044378	/nfs/dbraw/zinc/04/43/78/606044378.db2.gz	JEBDDUPQZHFDJD-ZETCQYMHSA-N	-2	0	342.262	0.866	20	50		ECGDRL
Cc1ccccc1C(=O)N[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000832976768	601832379	/nfs/dbraw/zinc/83/23/79/601832379.db2.gz	CKMSLQXFEQCICD-UHFFFAOYSA-N	-2	0	341.370	0.773	20	50		ECGDRL
COCCCNC(=O)N[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000831696814	601859925	/nfs/dbraw/zinc/85/99/25/601859925.db2.gz	OQGJXQSAPSYKDQ-UHFFFAOYSA-N	-2	0	349.340	0.053	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000830834635	603769775	/nfs/dbraw/zinc/76/97/75/603769775.db2.gz	JHVLBNAIELZLPO-BDAKNGLRSA-N	-2	0	341.393	0.832	20	50		ECGDRL
O=C([O-])N1CCO[C@H](CC(=O)NN=c2[n-]c(-c3cccnc3)no2)C1	ZINC000831387482	604875248	/nfs/dbraw/zinc/87/52/48/604875248.db2.gz	KWICCQJPIVVBRX-SNVBAGLBSA-N	-2	0	348.319	0.344	20	50		ECGDRL
CC(C)NC(=O)N[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833503200	605327118	/nfs/dbraw/zinc/32/71/18/605327118.db2.gz	OUOIPKIETYMDHB-UHFFFAOYSA-N	-2	0	346.321	0.194	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1occc1COc1ccccc1	ZINC000834202971	605463647	/nfs/dbraw/zinc/46/36/47/605463647.db2.gz	IIYKWWFHHRECSM-UHFFFAOYSA-N	-2	0	333.300	0.887	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1cc(F)cc(F)c1	ZINC000834232627	605805460	/nfs/dbraw/zinc/80/54/60/605805460.db2.gz	VBPBACGPAXYHQC-UHFFFAOYSA-N	-2	0	337.304	0.322	20	50		ECGDRL
O=C([O-])Nc1cnc(C(=O)[N-]NC(=O)COCc2ccccc2)cn1	ZINC000834276909	606004740	/nfs/dbraw/zinc/00/47/40/606004740.db2.gz	NAJFTRHPMUFQQX-UHFFFAOYSA-N	-2	0	345.315	0.544	20	50		ECGDRL
Cc1cc(C(=O)N[N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c(C)o1	ZINC000832864666	600808568	/nfs/dbraw/zinc/80/85/68/600808568.db2.gz	QXRSEFWFMCNVPX-UHFFFAOYSA-N	-2	0	341.345	0.556	20	50		ECGDRL
Cc1nnc(NNC(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)[n-]c1=O	ZINC000830887429	604579040	/nfs/dbraw/zinc/57/90/40/604579040.db2.gz	KGONRNYNVCABCE-WPRPVWTQSA-N	-2	0	338.368	0.745	20	50		ECGDRL
O=C([O-])N1CCO[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2[O-])C1	ZINC000831736742	604828652	/nfs/dbraw/zinc/82/86/52/604828652.db2.gz	UIGHJGDSBMKTNR-JTQLQIEISA-N	-2	0	343.723	0.185	20	50		ECGDRL
Cc1cc(C(=O)[N-]NC(=O)NCCNC(=O)[O-])nn1[C@H](C)C1CC1	ZINC000833897578	605308880	/nfs/dbraw/zinc/30/88/80/605308880.db2.gz	CFPPQPBPMAUALK-SECBINFHSA-N	-2	0	338.368	0.374	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1cc(OCc2ccccc2)ccn1	ZINC000834203022	605460970	/nfs/dbraw/zinc/46/09/70/605460970.db2.gz	FHJWIBTXJOIXFM-UHFFFAOYSA-N	-2	0	344.327	0.689	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C	ZINC000830834417	605529267	/nfs/dbraw/zinc/52/92/67/605529267.db2.gz	HCYOMGYQITUWRC-VXNVDRBHSA-N	-2	0	341.393	0.926	20	50		ECGDRL
O=C([O-])N[N-]C(=O)c1cc(Cn2cc(Br)cn2)on1	ZINC000834250559	605848096	/nfs/dbraw/zinc/84/80/96/605848096.db2.gz	IPOSESPJMIAVCN-UHFFFAOYSA-N	-2	0	330.098	0.594	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cccc(-n2cccn2)n1	ZINC000834230360	605975043	/nfs/dbraw/zinc/97/50/43/605975043.db2.gz	YABQARZPNHWBGP-UHFFFAOYSA-N	-2	0	332.320	0.076	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1c[nH]c(-c2ccccc2)n1	ZINC000834232482	605980261	/nfs/dbraw/zinc/98/02/61/605980261.db2.gz	RKJXGGRGOPKXQT-UHFFFAOYSA-N	-2	0	331.332	0.886	20	50		ECGDRL
O=C([O-])N[C@@H](CC(F)F)C(=O)NN=c1[n-]c(-c2ccncc2)no1	ZINC000834136405	606031931	/nfs/dbraw/zinc/03/19/31/606031931.db2.gz	RVXHORQVEPTWFD-ZETCQYMHSA-N	-2	0	342.262	0.866	20	50		ECGDRL
O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N[N-]C(=O)c1cc2ccccc2o1	ZINC000831736954	603497417	/nfs/dbraw/zinc/49/74/17/603497417.db2.gz	YRHQDVJFLPURSE-ZJUUUORDSA-N	-2	0	333.300	0.307	20	50		ECGDRL
C[C@@H](Oc1ccc(F)cc1)C(=O)N[N-]C(=O)c1cc(C(=O)[O-])no1	ZINC000833537991	605262293	/nfs/dbraw/zinc/26/22/93/605262293.db2.gz	AAQVFGSDEJAMAZ-SSDOTTSWSA-N	-2	0	337.263	0.740	20	50		ECGDRL
Cc1nc(C(=O)[N-]NC(=O)CCCNC(=O)[O-])nn1-c1ccccc1	ZINC000833913230	605974496	/nfs/dbraw/zinc/97/44/96/605974496.db2.gz	VSIJERPFBZGTNY-UHFFFAOYSA-N	-2	0	346.347	0.385	20	50		ECGDRL
O=C([O-])Nc1cnc(C(=O)[N-]NC(=O)COc2ccccc2O)cn1	ZINC000834277271	606056572	/nfs/dbraw/zinc/05/65/72/606056572.db2.gz	XIOKODAZQUBWTN-UHFFFAOYSA-N	-2	0	347.287	0.112	20	50		ECGDRL
O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ncccc1[O-]	ZINC000826445669	608574938	/nfs/dbraw/zinc/57/49/38/608574938.db2.gz	FCMUMTXXYKPOSI-UHFFFAOYSA-N	-2	0	332.711	0.773	20	50		ECGDRL
Cc1oc(S(=O)(=O)[N-]NC(=O)NC2CCCC2)cc1C(=O)[O-]	ZINC000833026479	601232935	/nfs/dbraw/zinc/23/29/35/601232935.db2.gz	FFTDVXPLQJKKIK-UHFFFAOYSA-N	-2	0	331.350	0.721	20	50		ECGDRL
Cc1nnc(NNC(=O)[C@H](CNC(=O)[O-])c2ccccc2)[n-]c1=O	ZINC000830888014	603442936	/nfs/dbraw/zinc/44/29/36/603442936.db2.gz	ZNBCFSOWYZJKCZ-SNVBAGLBSA-N	-2	0	332.320	0.380	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000830830155	603759022	/nfs/dbraw/zinc/75/90/22/603759022.db2.gz	VHPPXOKEQZXUKU-HTQZYQBOSA-N	-2	0	342.377	0.716	20	50		ECGDRL
O=C([O-])NC1(C(=O)N[N-]C(=O)c2cc(-c3ccccc3)on2)CC1	ZINC000832175769	604424602	/nfs/dbraw/zinc/42/46/02/604424602.db2.gz	LSQVECFAFVDFEK-UHFFFAOYSA-N	-2	0	330.300	0.903	20	50		ECGDRL
O=C([O-])NCCNC(=O)N[N-]C(=O)c1cc(F)c(Cl)cc1F	ZINC000834243003	605839294	/nfs/dbraw/zinc/83/92/94/605839294.db2.gz	DOFZLISQWNNEDZ-UHFFFAOYSA-N	-2	0	336.682	0.830	20	50		ECGDRL
O=C([O-])NCCC(=O)N[N-]C(=O)c1sccc1Br	ZINC000834228849	605844159	/nfs/dbraw/zinc/84/41/59/605844159.db2.gz	RDPPXIZYVKWPQV-UHFFFAOYSA-N	-2	0	336.167	0.929	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1ccn(-c2cccc(F)c2)n1	ZINC000834229691	605976291	/nfs/dbraw/zinc/97/62/91/605976291.db2.gz	GBVILKADYMMAHM-UHFFFAOYSA-N	-2	0	349.322	0.820	20	50		ECGDRL
O=C([O-])c1cn(CC(=O)NN=c2[n-]c(-c3ccccc3)no2)nn1	ZINC000833120980	601284708	/nfs/dbraw/zinc/28/47/08/601284708.db2.gz	LHMUPLAJNHBQAY-UHFFFAOYSA-N	-2	0	329.276	0.170	20	50		ECGDRL
O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N[N-]C(=O)c1cc2ccccc2o1	ZINC000831736953	603497226	/nfs/dbraw/zinc/49/72/26/603497226.db2.gz	YRHQDVJFLPURSE-VHSXEESVSA-N	-2	0	333.300	0.307	20	50		ECGDRL
COc1cccc(C(=O)N[N-]C(=O)c2ccc(CNC(=O)[O-])o2)c1O	ZINC000829537208	603510886	/nfs/dbraw/zinc/51/08/86/603510886.db2.gz	HTWWLUUSSZSOAB-UHFFFAOYSA-N	-2	0	349.299	0.836	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000830830157	603759165	/nfs/dbraw/zinc/75/91/65/603759165.db2.gz	VHPPXOKEQZXUKU-SFYZADRCSA-N	-2	0	342.377	0.716	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000830830158	603759365	/nfs/dbraw/zinc/75/93/65/603759365.db2.gz	VHPPXOKEQZXUKU-YUMQZZPRSA-N	-2	0	342.377	0.716	20	50		ECGDRL
CCc1ccc(C(=O)N[N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1	ZINC000833670405	604686556	/nfs/dbraw/zinc/68/65/56/604686556.db2.gz	WIURDHGITVPOEG-UHFFFAOYSA-N	-2	0	349.368	0.966	20	50		ECGDRL
Cc1ccc(C(=O)[N-]NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)o1	ZINC000830225153	605392876	/nfs/dbraw/zinc/39/28/76/605392876.db2.gz	GQBKGWLURLKCHW-JTQLQIEISA-N	-2	0	325.321	0.508	20	50		ECGDRL
CN(CCNC(=O)N[N-]C(=O)C(F)(F)Oc1ccccc1)C(=O)[O-]	ZINC000828323775	603755111	/nfs/dbraw/zinc/75/51/11/603755111.db2.gz	DKVNVBRRHIOVFR-UHFFFAOYSA-N	-2	0	346.290	0.598	20	50		ECGDRL
Cc1cc(C(=O)[N-]NC(=O)CCCNC(=O)[O-])nn1[C@@H](C)C1CC1	ZINC000833898562	605318703	/nfs/dbraw/zinc/31/87/03/605318703.db2.gz	OUSJLASZJSRXCH-JTQLQIEISA-N	-2	0	337.380	0.971	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C	ZINC000830834409	605528880	/nfs/dbraw/zinc/52/88/80/605528880.db2.gz	HCYOMGYQITUWRC-APPZFPTMSA-N	-2	0	341.393	0.926	20	50		ECGDRL
O=C([O-])NCCCC(=O)NNC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000834230041	605788156	/nfs/dbraw/zinc/78/81/56/605788156.db2.gz	OVMLBJPDVKVWKO-UHFFFAOYSA-N	-2	0	326.265	0.109	20	50		ECGDRL
Cc1cc(S(=O)(=O)[N-]NC(=O)CCCNC(=O)[O-])cc(C)c1F	ZINC000833902220	605801313	/nfs/dbraw/zinc/80/13/13/605801313.db2.gz	VVIZZNRWQFQFNQ-UHFFFAOYSA-N	-2	0	347.368	0.800	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000834232323	605802988	/nfs/dbraw/zinc/80/29/88/605802988.db2.gz	RGERNQVQJJNVNE-UHFFFAOYSA-N	-2	0	335.769	0.697	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000834231923	605804407	/nfs/dbraw/zinc/80/44/07/605804407.db2.gz	LQMHRXQTGDGBAK-UHFFFAOYSA-N	-2	0	335.769	0.697	20	50		ECGDRL
O=C([O-])NCCC(=O)N[N-]C(=O)c1ccn(-c2cccc(F)c2)n1	ZINC000834229118	605844317	/nfs/dbraw/zinc/84/43/17/605844317.db2.gz	WFFCGURTTIPLMG-UHFFFAOYSA-N	-2	0	335.295	0.430	20	50		ECGDRL
COc1ccc(CCC(=O)N[N-]C(=O)c2cc(C(=O)[O-])no2)cc1	ZINC000833731830	605870427	/nfs/dbraw/zinc/87/04/27/605870427.db2.gz	NKIMESAMTMVRNL-UHFFFAOYSA-N	-2	0	333.300	0.775	20	50		ECGDRL
Cn1cc(C(=O)[N-]NC(=O)CCCNC(=O)[O-])c(C(F)(F)F)n1	ZINC000833943351	605978789	/nfs/dbraw/zinc/97/87/89/605978789.db2.gz	JACRRJYBVYHWKQ-UHFFFAOYSA-N	-2	0	337.258	0.248	20	50		ECGDRL
O=C([O-])Nc1cnc(C(=O)[N-]NC(=O)[C@H]2Cc3ccccc3O2)cn1	ZINC000834277054	606002785	/nfs/dbraw/zinc/00/27/85/606002785.db2.gz	RFJYLEQTJROCCY-LLVKDONJSA-N	-2	0	343.299	0.331	20	50		ECGDRL
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)c2ccccc2O)cs1	ZINC000833304167	600671907	/nfs/dbraw/zinc/67/19/07/600671907.db2.gz	RUJPGTCYUXZANT-UHFFFAOYSA-N	-2	0	342.354	0.775	20	50		ECGDRL
CC[C@@H](C)C(=O)N[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC000828700435	601202506	/nfs/dbraw/zinc/20/25/06/601202506.db2.gz	MGFNCPXDXWDURO-ZCFIWIBFSA-N	-2	0	336.391	0.811	20	50		ECGDRL
CNC(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC000831000298	601326041	/nfs/dbraw/zinc/32/60/41/601326041.db2.gz	ABCAZYIXQODNDW-UHFFFAOYSA-N	-2	0	342.160	0.814	20	50		ECGDRL
Cc1cc(C(=O)N[N-]S(=O)(=O)c2csnc2C(=O)[O-])c(C)o1	ZINC000832864684	601831738	/nfs/dbraw/zinc/83/17/38/601831738.db2.gz	RGMLMDADHAKXOG-UHFFFAOYSA-N	-2	0	345.358	0.674	20	50		ECGDRL
CN(C)C(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC000830563646	601838592	/nfs/dbraw/zinc/83/85/92/601838592.db2.gz	MDRVTXLGXYFVRV-UHFFFAOYSA-N	-2	0	339.732	0.642	20	50		ECGDRL
O=C([O-])NNC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000832748367	604278296	/nfs/dbraw/zinc/27/82/96/604278296.db2.gz	HYXGFPKAWZDAOT-UHFFFAOYSA-N	-2	0	342.358	0.856	20	50		ECGDRL
C[C@H](Oc1ccccc1F)C(=O)N[N-]C(=O)c1cc(C(=O)[O-])no1	ZINC000833541214	605262064	/nfs/dbraw/zinc/26/20/64/605262064.db2.gz	AAZIYTHTGCMANC-ZETCQYMHSA-N	-2	0	337.263	0.740	20	50		ECGDRL
Cc1ccc(C(=O)[N-]NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)o1	ZINC000830225154	605392618	/nfs/dbraw/zinc/39/26/18/605392618.db2.gz	GQBKGWLURLKCHW-SNVBAGLBSA-N	-2	0	325.321	0.508	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1ncccc1C(F)(F)F	ZINC000834232324	605716477	/nfs/dbraw/zinc/71/64/77/605716477.db2.gz	RIXOSJFBWGQTNS-UHFFFAOYSA-N	-2	0	334.254	0.909	20	50		ECGDRL
Cc1nc(C(=O)[N-]NC(=O)NC2CCN(C(=O)[O-])CC2)c(C)s1	ZINC000833912984	605868297	/nfs/dbraw/zinc/86/82/97/605868297.db2.gz	RYVBHOUVHSUUFC-UHFFFAOYSA-N	-2	0	341.393	0.846	20	50		ECGDRL
O=C([O-])NCCNC(=O)NN=Cc1[nH]nc2cc(C(=O)[O-])ccc12	ZINC000834243800	606006937	/nfs/dbraw/zinc/00/69/37/606006937.db2.gz	VENOOVMRRZKJHY-UHFFFAOYSA-N	-2	0	334.292	0.162	20	50		ECGDRL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]NC(=O)CC(C)C	ZINC000831939819	601150223	/nfs/dbraw/zinc/15/02/23/601150223.db2.gz	UFUMVXOVZWFQNB-UHFFFAOYSA-N	-2	0	336.391	0.811	20	50		ECGDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]NC(=O)c2ccc(Cl)nc2)o1	ZINC000833148707	601324774	/nfs/dbraw/zinc/32/47/74/601324774.db2.gz	QANDATYKLQHVMI-UHFFFAOYSA-N	-2	0	345.720	0.650	20	50		ECGDRL
CCCCNC(=O)N[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000829401388	601859692	/nfs/dbraw/zinc/85/96/92/601859692.db2.gz	GTFPSHKNPFDOML-UHFFFAOYSA-N	-2	0	333.341	0.817	20	50		ECGDRL
O=C([O-])N1CCOC[C@@H]1C(=O)N[N-]C(=O)c1cc2ccccc2o1	ZINC000831736745	603497468	/nfs/dbraw/zinc/49/74/68/603497468.db2.gz	UKQGNRGRAOCMHU-SNVBAGLBSA-N	-2	0	333.300	0.573	20	50		ECGDRL
Cc1ccc(C(=O)[N-]NC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])o1	ZINC000830224870	603835709	/nfs/dbraw/zinc/83/57/09/603835709.db2.gz	BKQYZDBFTVOXJE-SCZZXKLOSA-N	-2	0	325.321	0.852	20	50		ECGDRL
O=C([O-])CCCNC(=S)NNC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000833227274	600995225	/nfs/dbraw/zinc/99/52/25/600995225.db2.gz	DQWINNFLYGHZBZ-UHFFFAOYSA-N	-2	0	342.333	0.274	20	50		ECGDRL
O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)NCC2CC2)cc(F)c1F	ZINC000833138763	601838901	/nfs/dbraw/zinc/83/89/01/601838901.db2.gz	HUCHHXHGRMWYIW-UHFFFAOYSA-N	-2	0	349.315	0.566	20	50		ECGDRL
N#Cc1cccc(C(=O)N[N-]C(=O)c2ccc(CNC(=O)[O-])o2)c1	ZINC000831146509	602850117	/nfs/dbraw/zinc/85/01/17/602850117.db2.gz	RVMJRDXOFKRSKI-UHFFFAOYSA-N	-2	0	328.284	0.994	20	50		ECGDRL
CC(=NNC(=O)c1ccc([O-])c(Cl)c1)c1cn(CC(=O)[O-])nn1	ZINC000825804755	604786656	/nfs/dbraw/zinc/78/66/56/604786656.db2.gz	WDUCZQHVYOHJCQ-UHFFFAOYSA-N	-2	0	337.723	0.876	20	50		ECGDRL
C[C@H](Oc1ccc(F)cc1)C(=O)N[N-]C(=O)c1cc(C(=O)[O-])no1	ZINC000833537993	605262031	/nfs/dbraw/zinc/26/20/31/605262031.db2.gz	AAQVFGSDEJAMAZ-ZETCQYMHSA-N	-2	0	337.263	0.740	20	50		ECGDRL
O=C([O-])N1CCSC[C@@H]1CC(=O)NNc1nc[n-]c2ncnc1-2	ZINC000831414840	605313503	/nfs/dbraw/zinc/31/35/03/605313503.db2.gz	ULIPDVWPOIEIPR-ZETCQYMHSA-N	-2	0	337.365	0.282	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1csc(-c2ccccc2F)n1	ZINC000834203618	605452447	/nfs/dbraw/zinc/45/24/47/605452447.db2.gz	XNLAPRHAIPUHTI-UHFFFAOYSA-N	-2	0	338.320	0.978	20	50		ECGDRL
CC(C)(C(=O)N[N-]C(=O)c1cnc(C(=O)[O-])cn1)c1ccccc1	ZINC000833412151	605565407	/nfs/dbraw/zinc/56/54/07/605565407.db2.gz	ZPIOZZLCRMDHNV-UHFFFAOYSA-N	-2	0	328.328	0.914	20	50		ECGDRL
O=C([O-])Nc1cnc(C(=O)[N-]NC(=O)CCc2ccccc2)cn1	ZINC000834276704	606002606	/nfs/dbraw/zinc/00/26/06/606002606.db2.gz	FFEUOLOXSVLXIO-UHFFFAOYSA-N	-2	0	329.316	0.960	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CCN(C(=O)[O-])[C@@H](C)[C@@H]1C	ZINC000833918948	606015998	/nfs/dbraw/zinc/01/59/98/606015998.db2.gz	XBRBESKEGQKBCO-IUCAKERBSA-N	-2	0	341.393	0.879	20	50		ECGDRL
CC(C)NC(=O)N[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000826975943	601838631	/nfs/dbraw/zinc/83/86/31/601838631.db2.gz	GAODHPDZJPFYSC-UHFFFAOYSA-N	-2	0	337.304	0.564	20	50		ECGDRL
O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NN=c1[n-]c(-c2ccccc2)no1	ZINC000831742363	603778467	/nfs/dbraw/zinc/77/84/67/603778467.db2.gz	CICYBWYJYVETQQ-NXEZZACHSA-N	-2	0	333.304	0.293	20	50		ECGDRL
Cc1ccc(C(=O)[N-]NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])o1	ZINC000830224901	603835554	/nfs/dbraw/zinc/83/55/54/603835554.db2.gz	CQXDXBVFIYEUOB-SNVBAGLBSA-N	-2	0	325.321	0.508	20	50		ECGDRL
Cc1ccc(C(=O)[N-]NC(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])o1	ZINC000830224871	603835571	/nfs/dbraw/zinc/83/55/71/603835571.db2.gz	BKQYZDBFTVOXJE-WCBMZHEXSA-N	-2	0	325.321	0.852	20	50		ECGDRL
Cc1cc2cccnc2c(S(=O)(=O)[N-]NC(=O)CNC(=O)[O-])c1	ZINC000833900778	605391123	/nfs/dbraw/zinc/39/11/23/605391123.db2.gz	ARJMLIWYXRTYHZ-UHFFFAOYSA-N	-2	0	338.345	0.120	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CC[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000833916931	605513818	/nfs/dbraw/zinc/51/38/18/605513818.db2.gz	DFEPBYPCUSHWFH-APPZFPTMSA-N	-2	0	341.393	0.784	20	50		ECGDRL
O=C([O-])N1CCC(NC(=O)N[N-]C(=O)c2ccc3cc[nH]c3n2)CC1	ZINC000834046816	605698675	/nfs/dbraw/zinc/69/86/75/605698675.db2.gz	DVDPJIAHRGWERF-UHFFFAOYSA-N	-2	0	346.347	0.649	20	50		ECGDRL
N#Cc1ccc(C(=O)[N-]NC(=O)NC2CCN(C(=O)[O-])CC2)s1	ZINC000831122503	603448970	/nfs/dbraw/zinc/44/89/70/603448970.db2.gz	JVIQJVRSBBOIIQ-UHFFFAOYSA-N	-2	0	337.361	0.706	20	50		ECGDRL
CSCC[C@@H](NC(=O)[O-])C(=O)NNc1nc[n-]c2ncnc1-2	ZINC000829730203	603641744	/nfs/dbraw/zinc/64/17/44/603641744.db2.gz	LCCPKQJSHWKWMD-ZCFIWIBFSA-N	-2	0	325.354	0.185	20	50		ECGDRL
CC(=NNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cn(CC(=O)[O-])nn1	ZINC000825804672	604786633	/nfs/dbraw/zinc/78/66/33/604786633.db2.gz	STRDRXNTRXRZOU-UHFFFAOYSA-N	-2	0	348.275	0.131	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1	ZINC000834204026	605394723	/nfs/dbraw/zinc/39/47/23/605394723.db2.gz	RZTXVUVYFYRWTF-UHFFFAOYSA-N	-2	0	341.267	0.283	20	50		ECGDRL
CCOC(=O)c1cnc(=NNC(=O)[C@H](NC(=O)[O-])C(C)C)[n-]c1C	ZINC000833860994	605441251	/nfs/dbraw/zinc/44/12/51/605441251.db2.gz	JYMHRAIMIJLWBF-SNVBAGLBSA-N	-2	0	339.352	0.697	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1cnc(Cc2ccccc2)s1	ZINC000834203551	605449447	/nfs/dbraw/zinc/44/94/47/605449447.db2.gz	WPGGUPCIXHAXIY-UHFFFAOYSA-N	-2	0	334.357	0.763	20	50		ECGDRL
CC(C)(C)c1ccc(S(=O)(=O)[N-]NC(=O)NCC(=O)[O-])cc1	ZINC000833449645	605598189	/nfs/dbraw/zinc/59/81/89/605598189.db2.gz	PINSYZTYLPHKFX-UHFFFAOYSA-N	-2	0	329.378	0.561	20	50		ECGDRL
Cc1cccnc1C(=O)N[N-]C(=O)c1csc(CNC(=O)[O-])n1	ZINC000833909495	605926143	/nfs/dbraw/zinc/92/61/43/605926143.db2.gz	CASDXPWFRLXDKK-UHFFFAOYSA-N	-2	0	335.345	0.689	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cn(Cc2ccccc2)nn1	ZINC000834229662	605977448	/nfs/dbraw/zinc/97/74/48/605977448.db2.gz	DJUNZNVTOARTKB-UHFFFAOYSA-N	-2	0	346.347	0.135	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cc(-c2ccccn2)no1	ZINC000834231719	605979628	/nfs/dbraw/zinc/97/96/28/605979628.db2.gz	OEIOPNJYRFADSB-UHFFFAOYSA-N	-2	0	333.304	0.545	20	50		ECGDRL
COc1cc(S(=O)(=O)[N-]NC(=O)[O-])ccc1Br	ZINC000832097503	601318167	/nfs/dbraw/zinc/31/81/67/601318167.db2.gz	DAZVEYGHPVBQRL-UHFFFAOYSA-N	-2	0	325.140	0.919	20	50		ECGDRL
COc1c(F)ccc(F)c1C(=O)[N-]NC(=O)NCCNC(=O)[O-]	ZINC000829073176	604217461	/nfs/dbraw/zinc/21/74/61/604217461.db2.gz	XVSDQYDWKUNVMB-UHFFFAOYSA-N	-2	0	332.263	0.185	20	50		ECGDRL
CCNC(=O)N[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-]	ZINC000833657502	605151961	/nfs/dbraw/zinc/15/19/61/605151961.db2.gz	QNHIMBCONNWMLW-UHFFFAOYSA-N	-2	0	338.345	0.445	20	50		ECGDRL
Cc1cc(C(=O)[N-]NC(=O)NCCNC(=O)[O-])nn1[C@@H](C)C1CC1	ZINC000833897581	605309599	/nfs/dbraw/zinc/30/95/99/605309599.db2.gz	CFPPQPBPMAUALK-VIFPVBQESA-N	-2	0	338.368	0.374	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)NC[C@H]1CCN(C(=O)[O-])C1	ZINC000833916946	605385453	/nfs/dbraw/zinc/38/54/53/605385453.db2.gz	DINYDDHUQISIPN-MRVPVSSYSA-N	-2	0	327.366	0.395	20	50		ECGDRL
CC(C)(C)OC(=O)NCC(=O)N[N-]C(=O)c1cccc(C(=O)[O-])n1	ZINC000833439343	605408928	/nfs/dbraw/zinc/40/89/28/605408928.db2.gz	RDEISWPBVZHSQC-UHFFFAOYSA-N	-2	0	338.320	0.066	20	50		ECGDRL
CC(C)COc1ccc(S(=O)(=O)[N-]NC(=O)NCC(=O)[O-])cc1	ZINC000833490801	605599583	/nfs/dbraw/zinc/59/95/83/605599583.db2.gz	VGFIMURZBPBZEF-UHFFFAOYSA-N	-2	0	345.377	0.299	20	50		ECGDRL
O=C([O-])N1CCC2(C[C@@H]2C(=O)NNc2nc[n-]c3ncnc2-3)CC1	ZINC000834050566	605932819	/nfs/dbraw/zinc/93/28/19/605932819.db2.gz	ZJUHZTADGTVGHH-MRVPVSSYSA-N	-2	0	331.336	0.576	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1ccc(Br)cn1	ZINC000834229980	605973490	/nfs/dbraw/zinc/97/34/90/605973490.db2.gz	MUBUAGPSUIKELT-UHFFFAOYSA-N	-2	0	345.153	0.653	20	50		ECGDRL
C[C@@H](CC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-])NC(=O)[O-]	ZINC000824671719	603435594	/nfs/dbraw/zinc/43/55/94/603435594.db2.gz	KJDUPVOKSRCUEY-VIFPVBQESA-N	-3	0	347.331	0.385	20	50		ECGDRL
O=C([O-])NCCNC(=O)N[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000832658470	603947143	/nfs/dbraw/zinc/94/71/43/603947143.db2.gz	OLINXPJZFVRUQD-UHFFFAOYSA-N	-2	0	345.699	0.460	20	50		ECGDRL
CC(C)C(=O)N[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833466979	605327538	/nfs/dbraw/zinc/32/75/38/605327538.db2.gz	JJYUALDEEAMEEO-UHFFFAOYSA-N	-2	0	331.306	0.259	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1ccc(CCCl)cc1	ZINC000834203874	605393482	/nfs/dbraw/zinc/39/34/82/605393482.db2.gz	IVSDFMKIFRHZRI-UHFFFAOYSA-N	-2	0	335.769	0.045	20	50		ECGDRL
COCCN(CCNC(=O)N[N-]C(=O)c1scnc1C)C(=O)[O-]	ZINC000833885786	605406251	/nfs/dbraw/zinc/40/62/51/605406251.db2.gz	KHRJSBYUNVRBAP-UHFFFAOYSA-N	-2	0	345.381	0.022	20	50		ECGDRL
CCOC(=O)c1cnc(=NNC(=O)[C@@H]2CCCN2C(=O)[O-])[n-]c1C	ZINC000833862080	605442245	/nfs/dbraw/zinc/44/22/45/605442245.db2.gz	YXOFTGUZPOWNJJ-JTQLQIEISA-N	-2	0	337.336	0.547	20	50		ECGDRL
CCOC(=O)c1cnc(=NNC(=O)[C@H]2CCCN2C(=O)[O-])[n-]c1C	ZINC000833862083	605442339	/nfs/dbraw/zinc/44/23/39/605442339.db2.gz	YXOFTGUZPOWNJJ-SNVBAGLBSA-N	-2	0	337.336	0.547	20	50		ECGDRL
Cc1ccc(C(=O)N[N-]S(=O)(=O)c2csnc2C(=O)[O-])o1	ZINC000832913744	601487454	/nfs/dbraw/zinc/48/74/54/601487454.db2.gz	XDEMSMKEVIDVIG-UHFFFAOYSA-N	-2	0	331.331	0.366	20	50		ECGDRL
C[C@H](C(=O)N[N-]C(=O)c1cn[nH]n1)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823705383	602863159	/nfs/dbraw/zinc/86/31/59/602863159.db2.gz	VYYDGOCROKQUED-KWQFWETISA-N	-2	0	332.320	0.211	20	50		ECGDRL
Cc1cc(C(=O)[N-]NC(=O)CCCNC(=O)[O-])nn1[C@H](C)C1CC1	ZINC000833898568	605318747	/nfs/dbraw/zinc/31/87/47/605318747.db2.gz	OUSJLASZJSRXCH-SNVBAGLBSA-N	-2	0	337.380	0.971	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000834204063	605394383	/nfs/dbraw/zinc/39/43/83/605394383.db2.gz	VWLBPPSISTWPIG-UHFFFAOYSA-N	-2	0	342.160	0.571	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1ccc(F)cc1Cl	ZINC000834204105	605395530	/nfs/dbraw/zinc/39/55/30/605395530.db2.gz	ZMXQXBKMPQYAFP-UHFFFAOYSA-N	-2	0	325.705	0.056	20	50		ECGDRL
CCOC(=O)c1cnc(=NNC(=O)[C@H]2CCN(C(=O)[O-])C2)[n-]c1C	ZINC000833861018	605441069	/nfs/dbraw/zinc/44/10/69/605441069.db2.gz	KAGSNUKBDKHWNH-VIFPVBQESA-N	-2	0	337.336	0.405	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1n[nH]c(C2CC2)c1Br	ZINC000834203176	605449415	/nfs/dbraw/zinc/44/94/15/605449415.db2.gz	JVCGGVKEMQWVCF-UHFFFAOYSA-N	-2	0	346.141	0.078	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CC[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000833916936	605513856	/nfs/dbraw/zinc/51/38/56/605513856.db2.gz	DFEPBYPCUSHWFH-IONNQARKSA-N	-2	0	341.393	0.784	20	50		ECGDRL
Cc1cc(C(=O)[N-]NC(=O)CNC(=O)[O-])nn1-c1cccc(C#N)c1	ZINC000833897977	605806841	/nfs/dbraw/zinc/80/68/41/605806841.db2.gz	IHGPNZXDSDYQMA-UHFFFAOYSA-N	-2	0	342.315	0.081	20	50		ECGDRL
O=C([O-])NCCC(=O)N[N-]C(=O)c1ccn(-c2ccc(F)cc2)n1	ZINC000834228611	605840783	/nfs/dbraw/zinc/84/07/83/605840783.db2.gz	MFCJYDCAHDAQQO-UHFFFAOYSA-N	-2	0	335.295	0.430	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1C[C@H](CNC(=O)[O-])C[C@@H]1C	ZINC000833918257	605920524	/nfs/dbraw/zinc/92/05/24/605920524.db2.gz	RMDKTXAMWLONCA-CBAPKCEASA-N	-2	0	341.393	0.784	20	50		ECGDRL
O=C([O-])NCCCC(=O)NNC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000834230011	605977462	/nfs/dbraw/zinc/97/74/62/605977462.db2.gz	NUTGVQKQPAMQSJ-UHFFFAOYSA-N	-2	0	338.345	0.925	20	50		ECGDRL
C[C@H](CC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-])NC(=O)[O-]	ZINC000824671718	603435644	/nfs/dbraw/zinc/43/56/44/603435644.db2.gz	KJDUPVOKSRCUEY-SECBINFHSA-N	-3	0	347.331	0.385	20	50		ECGDRL
CO[C@H](C)c1nc(C)c(C(=O)[N-]NC(=O)NCCNC(=O)[O-])s1	ZINC000828830637	603448102	/nfs/dbraw/zinc/44/81/02/603448102.db2.gz	MQZPJYRNTIWPFF-SSDOTTSWSA-N	-2	0	345.381	0.371	20	50		ECGDRL
O=C([O-])NC1(C(=O)N[N-]C(=O)c2ccccn2)Cc2ccccc2C1	ZINC000832176086	603629358	/nfs/dbraw/zinc/62/93/58/603629358.db2.gz	RVRZEJDUSJMBFJ-UHFFFAOYSA-N	-2	0	340.339	0.648	20	50		ECGDRL
COc1cccc(C(=O)[N-]NC(=O)NC2CCN(C(=O)[O-])CC2)n1	ZINC000829537065	603800588	/nfs/dbraw/zinc/80/05/88/603800588.db2.gz	DTJZQCREHGGJLN-UHFFFAOYSA-N	-2	0	337.336	0.177	20	50		ECGDRL
CCOC(=O)c1cnc(=NNC(=O)[C@@H](C)CN(C)C(=O)[O-])[n-]c1C	ZINC000833860633	605441197	/nfs/dbraw/zinc/44/11/97/605441197.db2.gz	BGSWZSWBWYYFEF-QMMMGPOBSA-N	-2	0	339.352	0.651	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1csc(-c2ncccc2F)n1	ZINC000834202970	605445399	/nfs/dbraw/zinc/44/53/99/605445399.db2.gz	IHZWFAAGJVGFLC-UHFFFAOYSA-N	-2	0	339.308	0.373	20	50		ECGDRL
O=C([O-])NCC(=O)NNC(=O)c1cccnc1OCC(F)(F)F	ZINC000834203026	605470055	/nfs/dbraw/zinc/47/00/55/605470055.db2.gz	JQZBHRIIDNBTCZ-UHFFFAOYSA-N	-2	0	336.226	0.051	20	50		ECGDRL
CC(C)C(=O)c1ccc(S(=O)(=O)[N-]NC(=O)NCC(=O)[O-])cc1	ZINC000833467233	605599524	/nfs/dbraw/zinc/59/95/24/605599524.db2.gz	UJLQQDRYCUFDJL-UHFFFAOYSA-N	-2	0	343.361	0.102	20	50		ECGDRL
O=C([O-])NCCNC(=O)N[N-]C(=O)c1ncccc1C(F)(F)F	ZINC000834242822	605703473	/nfs/dbraw/zinc/70/34/73/605703473.db2.gz	AIRYVLBUKULWRD-UHFFFAOYSA-N	-2	0	335.242	0.312	20	50		ECGDRL
Cn1cc(S(=O)(=O)[N-]NC(=O)c2ccccc2O)cc1C(=O)[O-]	ZINC000833054197	600808625	/nfs/dbraw/zinc/80/86/25/600808625.db2.gz	RYUIZMGTXQHJRW-UHFFFAOYSA-N	-2	0	339.329	0.052	20	50		ECGDRL
CC(C)NC(=O)N[N-]S(=O)(=O)c1ccc(C=CC(=O)[O-])cc1	ZINC000826975872	601327815	/nfs/dbraw/zinc/32/78/15/601327815.db2.gz	CVCYEZYUKKPDBR-VMPITWQZSA-N	-2	0	327.362	0.685	20	50		ECGDRL
O=C([O-])N(CC(=O)NN=c1[n-]c(-c2ccncc2)no1)CC1CC1	ZINC000831464411	602811288	/nfs/dbraw/zinc/81/12/88/602811288.db2.gz	PWZWGMPKBSWYCD-UHFFFAOYSA-N	-2	0	332.320	0.965	20	50		ECGDRL
Cc1nnc(NNC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)[n-]c1=O	ZINC000830887559	603442754	/nfs/dbraw/zinc/44/27/54/603442754.db2.gz	NTBHVMKLBIQGCL-KCJUWKMLSA-N	-2	0	346.347	0.974	20	50		ECGDRL
Cc1nnc(NNC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])[n-]c1=O	ZINC000830887419	603442867	/nfs/dbraw/zinc/44/28/67/603442867.db2.gz	JYWQIRUTCZAKBC-LLVKDONJSA-N	-2	0	346.347	0.598	20	50		ECGDRL
O=C([O-])N1CC(OCC(=O)NNC(=O)c2ccc(Cl)cc2[O-])C1	ZINC000831537733	603471194	/nfs/dbraw/zinc/47/11/94/603471194.db2.gz	KJFVGERYQLYJEY-UHFFFAOYSA-N	-2	0	343.723	0.185	20	50		ECGDRL
O=C([O-])N1CC[C@@](F)(C(=O)NN=c2[n-]c(-c3ccncc3)no2)C1	ZINC000831908025	603873070	/nfs/dbraw/zinc/87/30/70/603873070.db2.gz	NRPOSXSZJLYMDE-ZDUSSCGKSA-N	-2	0	336.283	0.667	20	50		ECGDRL
C[C@H](Oc1ccccc1F)C(=O)N[N-]C(=O)c1cnc(C(=O)[O-])cn1	ZINC000833541219	604790597	/nfs/dbraw/zinc/79/05/97/604790597.db2.gz	AENRACXRYUCGSG-QMMMGPOBSA-N	-2	0	348.290	0.542	20	50		ECGDRL
Cc1nnc(NNC(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)[n-]c1=O	ZINC000830887348	605250043	/nfs/dbraw/zinc/25/00/43/605250043.db2.gz	ICLIZTTUEUXSCW-QMMMGPOBSA-N	-2	0	338.368	0.745	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1ccccc1-c1ccccc1	ZINC000834203927	605393855	/nfs/dbraw/zinc/39/38/55/605393855.db2.gz	MRXCOFIKLQVNNP-UHFFFAOYSA-N	-2	0	349.368	0.931	20	50		ECGDRL
CCOC(=O)c1cnc(=NNC(=O)C(C)(C)NC(=O)[O-])[n-]c1C	ZINC000833860932	605440965	/nfs/dbraw/zinc/44/09/65/605440965.db2.gz	IDTFPIDTELCJIN-UHFFFAOYSA-N	-2	0	325.325	0.451	20	50		ECGDRL
Cc1nnc(NNC(=O)[C@@H]2CCCCCC[C@H]2NC(=O)[O-])[n-]c1=O	ZINC000830887213	605526767	/nfs/dbraw/zinc/52/67/67/605526767.db2.gz	CVBKPFAXQIXVNB-NXEZZACHSA-N	-2	0	338.368	0.935	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1ccc2c(c1)COC2	ZINC000834230862	605804094	/nfs/dbraw/zinc/80/40/94/605804094.db2.gz	FBZHNIAIUVZIFD-UHFFFAOYSA-N	-2	0	343.361	0.074	20	50		ECGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cn(-c2ccccc2)nn1	ZINC000834230429	605976432	/nfs/dbraw/zinc/97/64/32/605976432.db2.gz	ZAVIACBOPXGISM-UHFFFAOYSA-N	-2	0	332.320	0.076	20	50		ECGDRL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]NC(=O)NC(C)C	ZINC000831939139	601203821	/nfs/dbraw/zinc/20/38/21/601203821.db2.gz	AVOFAENWYGCLBK-UHFFFAOYSA-N	-2	0	337.379	0.356	20	50		ECGDRL
O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]NC(=O)c1ccc[nH]1	ZINC000833149069	601856931	/nfs/dbraw/zinc/85/69/31/601856931.db2.gz	ZUPLVJOMIBLPNU-UHFFFAOYSA-N	-2	0	327.293	0.475	20	50		ECGDRL
O=C([O-])NCc1ccc(C(=O)[N-]NC(=O)CNc2ccccc2)o1	ZINC000832702261	603438710	/nfs/dbraw/zinc/43/87/10/603438710.db2.gz	NWGVHGIXGPBRHA-UHFFFAOYSA-N	-2	0	332.316	0.920	20	50		ECGDRL
Cc1ncsc1C(=O)[N-]NC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000830834987	604076628	/nfs/dbraw/zinc/07/66/28/604076628.db2.gz	UWRQTKDLCVKEPR-MRVPVSSYSA-N	-2	0	327.366	0.490	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000834203910	605392517	/nfs/dbraw/zinc/39/25/17/605392517.db2.gz	LGFBVGUUVWXFAT-UHFFFAOYSA-N	-2	0	342.160	0.571	20	50		ECGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1cnc(Oc2ccccc2)cn1	ZINC000834203137	605457902	/nfs/dbraw/zinc/45/79/02/605457902.db2.gz	LVCAZCQYMZPHQC-UHFFFAOYSA-N	-2	0	331.288	0.298	20	50		ECGDRL
Cc1cc(C(=O)[N-]NC(=O)CCCNC(=O)[O-])nn1C(C)(C)C	ZINC000833898281	605976000	/nfs/dbraw/zinc/97/60/00/605976000.db2.gz	MROBOMOBTVYNFV-UHFFFAOYSA-N	-2	0	325.369	0.755	20	50		ECGDRL
O=C([O-])Nc1cnc(C(=O)[N-]NC(=S)Nc2ccccn2)cn1	ZINC000834277242	606005856	/nfs/dbraw/zinc/00/58/56/606005856.db2.gz	WBJKADFNWXSGCD-UHFFFAOYSA-N	-2	0	333.333	0.593	20	50		ECGDRL