smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)cc1	ZINC000048422589	728047736	/nfs/dbraw/zinc/04/77/36/728047736.db2.gz	LYACRCVWEURIHI-INIZCTEOSA-N	-1	0	354.472	2.827	10	30		FFEERM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1C[C@H]1c1cccc(Br)c1	ZINC000245927429	729577450	/nfs/dbraw/zinc/57/74/50/729577450.db2.gz	IYIDDOLLTYRKEA-MELADBBJSA-N	-1	0	372.222	2.878	10	30		FFEERM
N#Cc1c(Br)cc(I)cc1CC(=O)[O-]	ZINC000306767604	511764484	/nfs/dbraw/zinc/76/44/84/511764484.db2.gz	CSNRNLOIXDDFQO-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])N2Cc2ccccc2)c(F)c1	ZINC000600984775	520574912	/nfs/dbraw/zinc/57/49/12/520574912.db2.gz	XHTONDBNDHQGFC-ROUUACIJSA-N	-1	0	367.380	2.754	10	30		FFEERM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CCCc2ccccc21	ZINC000102115017	728488989	/nfs/dbraw/zinc/48/89/89/728488989.db2.gz	VRPCDUZFQPWNJG-IBGZPJMESA-N	-1	0	354.431	2.657	10	30		FFEERM
Cc1cc(C#N)cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])N2Cc2ccccc2)c1	ZINC000600983079	520572654	/nfs/dbraw/zinc/57/26/54/520572654.db2.gz	FXNZRETZPOQLJS-MOPGFXCFSA-N	-1	0	363.417	2.923	10	30		FFEERM
Cc1[nH]nc([N-]S(=O)(=O)C=Cc2ccc(Br)cc2)c1C#N	ZINC000588450567	845963706	/nfs/dbraw/zinc/96/37/06/845963706.db2.gz	YJHOHBCMQJUNNM-SREVYHEPSA-N	-1	0	367.228	2.765	10	30		FFEERM
O=C1[C@@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCN1c1cccnc1	ZINC000588424813	964216693	/nfs/dbraw/zinc/21/66/93/964216693.db2.gz	DXHWLCIGWPSNTI-ZFOCZIKRSA-N	-1	0	374.784	2.963	10	30		FFEERM
O=C1[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCN1Cc1ccc(F)cc1	ZINC000588577998	967567953	/nfs/dbraw/zinc/56/79/53/967567953.db2.gz	LVAGPEUKFJYPIR-HSGPEQJXSA-N	-1	0	357.341	2.660	10	30		FFEERM
C=CC[C@@H](C(=O)[O-])[C@H](NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C	ZINC000196522022	205165498	/nfs/dbraw/zinc/16/54/98/205165498.db2.gz	SXDKIZPHXVFDPJ-CABCVRRESA-N	-1	0	363.410	2.900	10	30		FFEERM
N#Cc1c(CC(=O)[O-])ccc(I)c1C(F)(F)F	ZINC000575392277	518209447	/nfs/dbraw/zinc/20/94/47/518209447.db2.gz	GMQYUYWDSZABME-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#Cc1c(I)c(CC(=O)[O-])ccc1C(F)(F)F	ZINC000575392696	518209602	/nfs/dbraw/zinc/20/96/02/518209602.db2.gz	ODRWEUGSSSLUBH-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#Cc1ccc(I)c(C(=O)[O-])c1Br	ZINC000307649757	511767358	/nfs/dbraw/zinc/76/73/58/511767358.db2.gz	ISTNWFXSZMCFEI-UHFFFAOYSA-N	-1	0	351.925	2.624	10	30		FFEERM
N#Cc1ccsc1C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000158612168	728891188	/nfs/dbraw/zinc/89/11/88/728891188.db2.gz	HDUJOQBJZJZFGG-UHFFFAOYSA-N	-1	0	360.338	2.757	10	30		FFEERM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](NC(=O)CC(C)C)C(C)C	ZINC000048425905	728048348	/nfs/dbraw/zinc/04/83/48/728048348.db2.gz	HZQONPDFSSFYEO-MRXNPFEDSA-N	-1	0	354.472	2.827	10	30		FFEERM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1cnc(-c2cccc(O)c2)nc1	ZINC000132515939	251065033	/nfs/dbraw/zinc/06/50/33/251065033.db2.gz	VMWMNMGNZKMVCS-UHFFFAOYSA-N	-1	0	370.365	2.661	10	30		FFEERM
N#Cc1cc(I)c(Br)cc1CC(=O)[O-]	ZINC000307168617	511766219	/nfs/dbraw/zinc/76/62/19/511766219.db2.gz	VRGAKWFHAWTNIF-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1cc(I)c(OC(F)(F)F)cc1CC(=O)[O-]	ZINC000514275690	516926100	/nfs/dbraw/zinc/92/61/00/516926100.db2.gz	KDWGRUCXTQMSIQ-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
CCCCS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)c1ccccc1)[C@H](C)CC	ZINC000048552131	728053934	/nfs/dbraw/zinc/05/39/34/728053934.db2.gz	GZDYKMXFOFPCEC-HIFRSBDPSA-N	-1	0	354.472	2.918	10	30		FFEERM
N#Cc1cc(Br)c(CC(=O)[O-])c(I)c1	ZINC000307300368	511766388	/nfs/dbraw/zinc/76/63/88/511766388.db2.gz	IBIDSRNWRTUOJG-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC23CCCCC3)cc1Cl	ZINC000408479510	513074428	/nfs/dbraw/zinc/07/44/28/513074428.db2.gz	MSAHGISFBWXWRU-ZDUSSCGKSA-N	-1	0	352.843	2.987	10	30		FFEERM
C#CCN(CC(=O)[O-])C(=O)Nc1cc(Cl)c(Br)cc1F	ZINC000703803671	969001583	/nfs/dbraw/zinc/00/15/83/969001583.db2.gz	VSYYGRNKEFARNA-UHFFFAOYSA-N	-1	0	363.570	2.793	10	30		FFEERM
N#Cc1ccc(I)c(C(F)(F)F)c1CC(=O)[O-]	ZINC000575392300	518209523	/nfs/dbraw/zinc/20/95/23/518209523.db2.gz	HJDVEECXFVYQFQ-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#Cc1ccc(N2CCN(C(=O)c3c([O-])cc(F)cc3F)CC2)c(F)c1	ZINC000101675073	508253938	/nfs/dbraw/zinc/25/39/38/508253938.db2.gz	XYYMCWPSNBPWIM-UHFFFAOYSA-N	-1	0	361.323	2.644	10	30		FFEERM
N#Cc1c(I)ccc(OC(F)(F)F)c1C(=O)[O-]	ZINC000514271859	516926068	/nfs/dbraw/zinc/92/60/68/516926068.db2.gz	SLNINSIXTUUKGE-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
N#Cc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)cc1F	ZINC000600984442	520574392	/nfs/dbraw/zinc/57/43/92/520574392.db2.gz	RAOCDWZCXIUNTR-ZWKOTPCHSA-N	-1	0	367.380	2.754	10	30		FFEERM
Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)c1	ZINC000048511642	728052118	/nfs/dbraw/zinc/05/21/18/728052118.db2.gz	ZSIQNLGHIDDALI-INIZCTEOSA-N	-1	0	354.472	2.827	10	30		FFEERM
C#CCOc1ccc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)cc1	ZINC000108250690	728520736	/nfs/dbraw/zinc/52/07/36/728520736.db2.gz	BNIWSZGHGYBOPO-UHFFFAOYSA-N	-1	0	361.810	2.801	10	30		FFEERM
C=CCn1c2nc(-c3ccc(Cl)cc3)nn2c(=O)c(CCC(=O)[O-])c1C	ZINC000049466209	203794795	/nfs/dbraw/zinc/79/47/95/203794795.db2.gz	MKCPXLNWJDSOJK-UHFFFAOYSA-N	-1	0	372.812	2.723	10	30		FFEERM
Cc1nnc(NN=Cc2sc(Nc3ccccc3)nc2Cl)[n-]c1=O	ZINC000008044977	204316996	/nfs/dbraw/zinc/31/69/96/204316996.db2.gz	QYXDQZMDXOZODO-FRKPEAEDSA-N	-1	0	361.818	2.773	10	30		FFEERM
N#Cc1c(CC(=O)[O-])ccc(I)c1OC(F)(F)F	ZINC000575392183	518209270	/nfs/dbraw/zinc/20/92/70/518209270.db2.gz	IEFYCYOHNIPDKF-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
N#Cc1cc(I)cc(CC(=O)[O-])c1Br	ZINC000306914260	511766020	/nfs/dbraw/zinc/76/60/20/511766020.db2.gz	QZVBVXZVFDQKNB-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1cc(F)cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)c1	ZINC000600983862	520572046	/nfs/dbraw/zinc/57/20/46/520572046.db2.gz	MCBCPYOMGZHVFW-QZTJIDSGSA-N	-1	0	367.380	2.754	10	30		FFEERM
Cc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1	ZINC000600984143	520574281	/nfs/dbraw/zinc/57/42/81/520574281.db2.gz	OWSMLEJJQHDJKF-MOPGFXCFSA-N	-1	0	363.417	2.923	10	30		FFEERM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)CC(C)C)C(C)C	ZINC000048425909	728048234	/nfs/dbraw/zinc/04/82/34/728048234.db2.gz	HZQONPDFSSFYEO-INIZCTEOSA-N	-1	0	354.472	2.827	10	30		FFEERM
CCCCS(=O)(=O)[N-]C(=O)[C@H](NC(=O)c1ccccc1C)C(C)C	ZINC000048552210	728053852	/nfs/dbraw/zinc/05/38/52/728053852.db2.gz	BYPMOBIZWNKPOU-OAHLLOKOSA-N	-1	0	354.472	2.836	10	30		FFEERM
COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])cc2C)cc1	ZINC000102121843	1005030647	/nfs/dbraw/zinc/03/06/47/1005030647.db2.gz	JCJVZCLCFHJIFL-QGZVFWFLSA-N	-1	0	367.361	2.551	10	30		FFEERM
COc1ccc(C=NNc2ccccc2C(=O)[O-])cc1CN1CCOCC1	ZINC000005163186	204195449	/nfs/dbraw/zinc/19/54/49/204195449.db2.gz	QQWZYGAOBDPCBL-FYJGNVAPSA-N	-1	0	369.421	2.672	10	30		FFEERM
C[C@H](COCc1ccccc1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000177153505	509905006	/nfs/dbraw/zinc/90/50/06/509905006.db2.gz	ZPLNIPGRNWECCD-GFCCVEGCSA-N	-1	0	366.389	2.720	10	30		FFEERM
N#Cc1c(CC(=O)[O-])cc(I)cc1OC(F)(F)F	ZINC000514275224	516926079	/nfs/dbraw/zinc/92/60/79/516926079.db2.gz	KCPBTTKVIXWLTL-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
O=C1[C@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCN1c1cccnc1	ZINC000588424810	964216331	/nfs/dbraw/zinc/21/63/31/964216331.db2.gz	DXHWLCIGWPSNTI-OCBAHULYSA-N	-1	0	374.784	2.963	10	30		FFEERM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cccc2)c(F)c1	ZINC000103797865	1009138715	/nfs/dbraw/zinc/13/87/15/1009138715.db2.gz	ATEARIMBCWJLJT-MRXNPFEDSA-N	-1	0	371.412	2.870	10	30		FFEERM
COC(=O)[C@H](c1ccccc1Cl)N1CC[C@@H](S)/C(=C/C(=O)[O-])C1	ZINC000100285085	209212309	/nfs/dbraw/zinc/21/23/09/209212309.db2.gz	CWUDNVCEAAXNQA-PNTFSDHLSA-N	-1	0	355.843	2.569	10	30		FFEERM
CC(O)=C1C(=O)C(=O)N(c2ccc(O)c(C(=O)[O-])c2)[C@@H]1c1ccccc1	ZINC000020161569	263379249	/nfs/dbraw/zinc/37/92/49/263379249.db2.gz	KZWLUPHNEYCOHA-MRXNPFEDSA-N	-1	0	353.330	2.579	10	30		FFEERM
C/C=C/C[C@H](C)C[C@H](C)C(=O)C1=C([O-])[C@@H]([C@@H](O)c2ccc(O)cc2)NC1=O	ZINC000031164665	263391054	/nfs/dbraw/zinc/39/10/54/263391054.db2.gz	ZVRPKHAPDKIXMT-XVJMRXLPSA-N	-1	0	373.449	2.934	10	30		FFEERM
COc1cccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1O	ZINC000104918266	508352095	/nfs/dbraw/zinc/35/20/95/508352095.db2.gz	QQFNHLIQFHGDNN-UHFFFAOYSA-N	-1	0	352.390	2.956	10	30		FFEERM
C=CCN(C(=O)c1ccc(Cl)c(Cl)c1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000129504441	508733614	/nfs/dbraw/zinc/73/36/14/508733614.db2.gz	ZQVIMUHOYVZLBR-VIFPVBQESA-N	-1	0	364.250	2.514	10	30		FFEERM
N#Cc1c(I)c(Br)ccc1C(=O)[O-]	ZINC000306328246	511764412	/nfs/dbraw/zinc/76/44/12/511764412.db2.gz	KXLZHEVDJQJIRL-UHFFFAOYSA-N	-1	0	351.925	2.624	10	30		FFEERM
N#Cc1c(I)cc(OC(F)(F)F)cc1C(=O)[O-]	ZINC000514272205	516925784	/nfs/dbraw/zinc/92/57/84/516925784.db2.gz	WVSVYGSVEYITKU-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
Cc1cc(C#N)cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)c1	ZINC000600983082	520571760	/nfs/dbraw/zinc/57/17/60/520571760.db2.gz	FXNZRETZPOQLJS-RTBURBONSA-N	-1	0	363.417	2.923	10	30		FFEERM
C#CC[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)c1ccccc1	ZINC000263310540	729685112	/nfs/dbraw/zinc/68/51/12/729685112.db2.gz	YORLBXAACUBFDS-MGPQQGTHSA-N	-1	0	354.328	2.656	10	30		FFEERM
Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)C#N)ccc1F	ZINC000125626451	509008860	/nfs/dbraw/zinc/00/88/60/509008860.db2.gz	AGFXZGBANLDWQT-GFCCVEGCSA-N	-1	0	361.398	2.577	10	30		FFEERM
CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)N(C)CCC3)n1	ZINC000156115657	509130364	/nfs/dbraw/zinc/13/03/64/509130364.db2.gz	SKCWJEODIAOUIV-UHFFFAOYSA-N	-1	0	359.455	2.519	10	30		FFEERM
C=C[C@@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1	ZINC000408501764	513082337	/nfs/dbraw/zinc/08/23/37/513082337.db2.gz	REHUWRSXOCWENG-TUUUFIMRSA-N	-1	0	369.405	2.535	10	30		FFEERM
N#Cc1cc(I)c(C(=O)[O-])cc1OC(F)(F)F	ZINC000514272156	516925910	/nfs/dbraw/zinc/92/59/10/516925910.db2.gz	IBJURVWKQFWWTR-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
Cc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1	ZINC000600984146	520573977	/nfs/dbraw/zinc/57/39/77/520573977.db2.gz	OWSMLEJJQHDJKF-RTBURBONSA-N	-1	0	363.417	2.923	10	30		FFEERM
C=CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])N2Cc2ccccc2)C1	ZINC000630667805	523025551	/nfs/dbraw/zinc/02/55/51/523025551.db2.gz	VMKJCFUQJYDVKA-NEWSRXKRSA-N	-1	0	356.466	2.919	10	30		FFEERM
COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])cc2C)cc1	ZINC000102121847	1005030794	/nfs/dbraw/zinc/03/07/94/1005030794.db2.gz	JCJVZCLCFHJIFL-KRWDZBQOSA-N	-1	0	367.361	2.551	10	30		FFEERM
N#Cc1cc(CC(=O)[O-])c(I)c(C(F)(F)F)c1	ZINC000575392659	518209243	/nfs/dbraw/zinc/20/92/43/518209243.db2.gz	LBAHGVDTKNOVJW-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000075555612	508116602	/nfs/dbraw/zinc/11/66/02/508116602.db2.gz	UVWAPPSOTDOCIX-SSDOTTSWSA-N	-1	0	350.165	2.866	10	30		FFEERM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C1(c2ccccc2)CCOCC1	ZINC000048491571	728050814	/nfs/dbraw/zinc/05/08/14/728050814.db2.gz	JLBVZUUXOOMFIA-UHFFFAOYSA-N	-1	0	364.423	2.685	10	30		FFEERM
CC(C)CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1F)C(C)C	ZINC000048592693	728055445	/nfs/dbraw/zinc/05/54/45/728055445.db2.gz	VCYBXUWUTPMTQD-HNNXBMFYSA-N	-1	0	358.435	2.658	10	30		FFEERM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](NC(=O)CC(C)C)C(C)C)c(F)c1	ZINC000075040011	728243213	/nfs/dbraw/zinc/24/32/13/728243213.db2.gz	QCDISCIXQBUTAR-MRXNPFEDSA-N	-1	0	372.462	2.966	10	30		FFEERM
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)C#N)cc2)cc1C	ZINC000125764466	728687241	/nfs/dbraw/zinc/68/72/41/728687241.db2.gz	XRKGCKNSPDRDOV-CQSZACIVSA-N	-1	0	357.435	2.746	10	30		FFEERM
N#CC1(c2ccc(C(=O)[N-]S(=O)(=O)/C=C\c3ccccc3)cc2)CC1	ZINC000588391056	845956738	/nfs/dbraw/zinc/95/67/38/845956738.db2.gz	LQNXRXSAEKAOQN-RAXLEYEMSA-N	-1	0	352.415	2.972	10	30		FFEERM
N#Cc1cc(C(=O)[O-])c(OC(F)(F)F)cc1I	ZINC000575392640	518209413	/nfs/dbraw/zinc/20/94/13/518209413.db2.gz	VQBBOCWOQCUCRB-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
N#Cc1ccc(OC(F)(F)F)c(C(=O)[O-])c1I	ZINC000575392134	518209517	/nfs/dbraw/zinc/20/95/17/518209517.db2.gz	GPYNDFHEAPWTFB-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
N#Cc1ccc(I)c(CC(=O)[O-])c1C(F)(F)F	ZINC000575392981	518209837	/nfs/dbraw/zinc/20/98/37/518209837.db2.gz	SZAFOKOQHJUGGG-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#Cc1c(Br)ccc(I)c1C(=O)[O-]	ZINC000306433649	511763577	/nfs/dbraw/zinc/76/35/77/511763577.db2.gz	XMMBJJICDLLHAL-UHFFFAOYSA-N	-1	0	351.925	2.624	10	30		FFEERM
C=CCCSCCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1	ZINC000600983868	520573068	/nfs/dbraw/zinc/57/30/68/520573068.db2.gz	MCPURUXSAZHOIH-IRXDYDNUSA-N	-1	0	362.495	2.530	10	30		FFEERM
COc1cccc(C(=O)CC(=Nc2ccc3c(c2)COC3=O)C(=O)[O-])c1	ZINC000004822090	525780651	/nfs/dbraw/zinc/78/06/51/525780651.db2.gz	PEIITOYUEUDDBI-SXGWCWSVSA-N	-1	0	353.330	2.629	10	30		FFEERM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](NC(=O)CC(C)C)C(C)C)cc1	ZINC000048422588	728047949	/nfs/dbraw/zinc/04/79/49/728047949.db2.gz	LYACRCVWEURIHI-MRXNPFEDSA-N	-1	0	354.472	2.827	10	30		FFEERM
CCCCS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C	ZINC000048552211	728053911	/nfs/dbraw/zinc/05/39/11/728053911.db2.gz	BYPMOBIZWNKPOU-HNNXBMFYSA-N	-1	0	354.472	2.836	10	30		FFEERM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CCCc2ccccc21	ZINC000102115019	728489049	/nfs/dbraw/zinc/48/90/49/728489049.db2.gz	VRPCDUZFQPWNJG-LJQANCHMSA-N	-1	0	354.431	2.657	10	30		FFEERM
N#Cc1cccc(CSc2nc3ccccc3c(=O)n2CC(=O)[O-])c1	ZINC000013223042	209622034	/nfs/dbraw/zinc/62/20/34/209622034.db2.gz	KTQMMXMCCOEVKB-UHFFFAOYSA-N	-1	0	351.387	2.645	10	30		FFEERM
N#Cc1c(I)ccc(C(=O)[O-])c1OC(F)(F)F	ZINC000575392474	518209520	/nfs/dbraw/zinc/20/95/20/518209520.db2.gz	LZDWYEKSYHGENM-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
N#Cc1ccc(OC(F)(F)F)c(CC(=O)[O-])c1I	ZINC000575392246	518209620	/nfs/dbraw/zinc/20/96/20/518209620.db2.gz	KGXMYLCHOQAJSN-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
N#CCc1cccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])N2Cc2ccccc2)c1	ZINC000600984848	520574297	/nfs/dbraw/zinc/57/42/97/520574297.db2.gz	YWYCWAFWMCCZPK-OALUTQOASA-N	-1	0	363.417	2.809	10	30		FFEERM
O=C([N-]S(=O)(=O)N1CCc2sccc2C1)c1cccc2cc[nH]c21	ZINC000076913442	728268881	/nfs/dbraw/zinc/26/88/81/728268881.db2.gz	PKBITDZHLBUFRE-UHFFFAOYSA-N	-1	0	361.448	2.837	10	30		FFEERM
Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(O)c(C(=O)[O-])c2)n1	ZINC000005587608	207107957	/nfs/dbraw/zinc/10/79/57/207107957.db2.gz	PCXVPOXIBVMLAE-UHFFFAOYSA-N	-1	0	357.391	2.705	10	30		FFEERM
O=C([O-])c1ccc([C@@H]2C3=C(CCCC3=O)N=C3SCCC(=O)N32)cc1	ZINC000035575989	208132433	/nfs/dbraw/zinc/13/24/33/208132433.db2.gz	TYWQPTBWTOEKAQ-MRXNPFEDSA-N	-1	0	356.403	2.768	10	30		FFEERM
N#Cc1c(I)c(CC(=O)[O-])ccc1OC(F)(F)F	ZINC000575392544	518209300	/nfs/dbraw/zinc/20/93/00/518209300.db2.gz	PKJHQJAGAGKGRO-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
N#Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ncc2c1COCC2	ZINC000333770207	511350454	/nfs/dbraw/zinc/35/04/54/511350454.db2.gz	FGIBBDOWAXWNBQ-UHFFFAOYSA-N	-1	0	369.446	2.706	10	30		FFEERM
N#Cc1c(I)ccc(Br)c1CC(=O)[O-]	ZINC000307078344	511765918	/nfs/dbraw/zinc/76/59/18/511765918.db2.gz	MTFWYKBSJKNXEI-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
COc1cc(C=Nn2c(=S)[n-]nc2C(F)F)ccc1OC(F)F	ZINC000254393339	509905694	/nfs/dbraw/zinc/90/56/94/509905694.db2.gz	GRVLFWOHDPACLW-UHFFFAOYSA-N	-1	0	350.297	2.997	10	30		FFEERM
Cc1cc(C#N)cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)c1	ZINC000600983081	520572608	/nfs/dbraw/zinc/57/26/08/520572608.db2.gz	FXNZRETZPOQLJS-RBUKOAKNSA-N	-1	0	363.417	2.923	10	30		FFEERM
O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)N1CC[C@@H]2CCC[C@H]21	ZINC000330265904	568009658	/nfs/dbraw/zinc/00/96/58/568009658.db2.gz	ZWVQBOOJGYIERJ-XHDPSFHLSA-N	-1	0	367.446	2.686	10	30		FFEERM
C[C@@H]1OCC[C@H]1NC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1	ZINC000330071105	729799818	/nfs/dbraw/zinc/79/98/18/729799818.db2.gz	IOWWSNRCBUDBDL-OIBJUYFYSA-N	-1	0	356.810	2.923	10	30		FFEERM
Cc1ccc2c(c1)C(=N[N-]c1nnc3c4ccccc4n(C)c3n1)C(=O)N2	ZINC000040827609	208270903	/nfs/dbraw/zinc/27/09/03/208270903.db2.gz	CZFNSTDLUOCLGE-UHFFFAOYSA-N	-1	0	357.377	2.593	10	30		FFEERM
CCN1CCc2nc([N-]S(=O)(=O)c3cc(C#N)ccc3C)sc2C1	ZINC000114850007	508353666	/nfs/dbraw/zinc/35/36/66/508353666.db2.gz	DZAVPGIMWIZGRM-UHFFFAOYSA-N	-1	0	362.480	2.502	10	30		FFEERM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3ccncc3)[nH]n2)c1	ZINC000186457713	509719190	/nfs/dbraw/zinc/71/91/90/509719190.db2.gz	VMYDDOBPRNQFLX-UHFFFAOYSA-N	-1	0	359.798	2.798	10	30		FFEERM
CCOC(=O)c1c2c(sc1NC(=O)C[NH+](CC)CC)C(=NO)CCC2	ZINC000254821450	509910272	/nfs/dbraw/zinc/91/02/72/509910272.db2.gz	OLBAOWISRQKCOL-UHFFFAOYSA-N	-1	0	367.471	2.720	10	30		FFEERM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2(C#N)CCCCCC2)c(F)c1	ZINC000191098053	510503240	/nfs/dbraw/zinc/50/32/40/510503240.db2.gz	LCWITJWKLIZYDJ-UHFFFAOYSA-N	-1	0	371.409	2.818	10	30		FFEERM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC23CCCCC3)cc1Cl	ZINC000408479509	513074408	/nfs/dbraw/zinc/07/44/08/513074408.db2.gz	MSAHGISFBWXWRU-CYBMUJFWSA-N	-1	0	352.843	2.987	10	30		FFEERM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCC2(F)F)cc1Cl	ZINC000408486620	513076661	/nfs/dbraw/zinc/07/66/61/513076661.db2.gz	SZECEIBRONSZHN-NSHDSACASA-N	-1	0	362.785	2.842	10	30		FFEERM
N#Cc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)cc1F	ZINC000600984440	520573620	/nfs/dbraw/zinc/57/36/20/520573620.db2.gz	RAOCDWZCXIUNTR-QZTJIDSGSA-N	-1	0	367.380	2.754	10	30		FFEERM
Cc1ccc(C2N=NC(=S)N2N=Cc2ccccc2OCC(=O)[O-])cc1	ZINC000004754785	210179217	/nfs/dbraw/zinc/17/92/17/210179217.db2.gz	KGVZMTOTLCTJRL-GRSHGNNSSA-N	-1	0	368.418	2.888	10	30		FFEERM
N#Cc1cc(CC(=O)[O-])cc(I)c1OC(F)(F)F	ZINC000575392223	518209560	/nfs/dbraw/zinc/20/95/60/518209560.db2.gz	KDSRRPUYAMHIIJ-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
C=C(C)CN(CC)C(=O)c1c(C)oc2[nH]c(=O)n(-c3ccccc3)c(=O)c21	ZINC000110052132	508003532	/nfs/dbraw/zinc/00/35/32/508003532.db2.gz	AAYGBJDTYAVALI-UHFFFAOYSA-N	-1	0	367.405	2.619	10	30		FFEERM
CC(=Nc1ccccc1N=Cc1ccnn1C)c1c(O)nc([O-])sc1=O	ZINC000254288119	509904604	/nfs/dbraw/zinc/90/46/04/509904604.db2.gz	ICMCZPNWNBZILD-UHFFFAOYSA-N	-1	0	369.406	2.539	10	30		FFEERM
N#CCc1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])N2Cc2ccccc2)c1	ZINC000600984847	520575198	/nfs/dbraw/zinc/57/51/98/520575198.db2.gz	YWYCWAFWMCCZPK-MOPGFXCFSA-N	-1	0	363.417	2.809	10	30		FFEERM
N#C[C@H](c1ccc(Cl)cc1)c1ccc(-n2ncc(=O)[n-]c2=O)cc1Cl	ZINC000000607777	210252396	/nfs/dbraw/zinc/25/23/96/210252396.db2.gz	QUUTUGLQZLNABV-CQSZACIVSA-N	-1	0	373.199	2.883	10	30	in-man	FFEERM
COc1ccc(C([O-])=C2C(=O)C=C(c3ccc(OC)cc3)OC2=O)cc1	ZINC000001043946	210308662	/nfs/dbraw/zinc/30/86/62/210308662.db2.gz	GWZOZPUHBNHYRK-GOSISDBHSA-N	-1	0	352.342	2.670	10	30		FFEERM
CNC(=S)N=NCc1cc(Br)c([O-])c(Br)c1	ZINC000097475186	222182653	/nfs/dbraw/zinc/18/26/53/222182653.db2.gz	NTJVOTHXYGNFPK-YIXHJXPBSA-N	-1	0	367.066	2.756	10	30		FFEERM
COC(=O)[C@H](c1ccccc1Cl)N1CC[C@H](S)/C(=C/C(=O)[O-])C1	ZINC000060199556	507517181	/nfs/dbraw/zinc/51/71/81/507517181.db2.gz	CWUDNVCEAAXNQA-AWGPODSSSA-N	-1	0	355.843	2.569	10	30		FFEERM
CN(Cc1ccc(C#N)cc1)C(=O)c1nn(-c2ccccc2F)cc1[O-]	ZINC000104142540	508328745	/nfs/dbraw/zinc/32/87/45/508328745.db2.gz	FKACWUUAQSJFBG-UHFFFAOYSA-N	-1	0	350.353	2.861	10	30		FFEERM
N#Cc1cc(Br)c(I)cc1CC(=O)[O-]	ZINC000307205401	511766507	/nfs/dbraw/zinc/76/65/07/511766507.db2.gz	HHVXFXJCFXMMMH-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1	ZINC000630659123	523011722	/nfs/dbraw/zinc/01/17/22/523011722.db2.gz	WDECMJGRJPSOKY-GJZGRUSLSA-N	-1	0	370.371	2.681	10	30		FFEERM
C=CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)C1	ZINC000630667807	523026428	/nfs/dbraw/zinc/02/64/28/523026428.db2.gz	VMKJCFUQJYDVKA-NZSAHSFTSA-N	-1	0	356.466	2.919	10	30		FFEERM
COc1cc(Br)ccc1C=CC([O-])=C1C(=O)C=C(C)OC1=O	ZINC000588419674	845959979	/nfs/dbraw/zinc/95/99/79/845959979.db2.gz	IJTLFKWSLAGBPB-ZDTYVGOBSA-N	-1	0	365.179	2.686	10	30		FFEERM
N#Cc1ccc(I)c(Br)c1C(=O)[O-]	ZINC000307151338	511765606	/nfs/dbraw/zinc/76/56/06/511765606.db2.gz	CYCORTNATQMTFB-UHFFFAOYSA-N	-1	0	351.925	2.624	10	30		FFEERM
N#Cc1ccc(C(=O)[O-])c(Br)c1I	ZINC000307459021	511766344	/nfs/dbraw/zinc/76/63/44/511766344.db2.gz	HGURZGNJCZBNEL-UHFFFAOYSA-N	-1	0	351.925	2.624	10	30		FFEERM
N#Cc1cc(CC(=O)[O-])c(I)cc1C(F)(F)F	ZINC000575392994	518209887	/nfs/dbraw/zinc/20/98/87/518209887.db2.gz	UFCSSEXGKWBVPR-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#Cc1ccsc1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1	ZINC000600982855	520572164	/nfs/dbraw/zinc/57/21/64/520572164.db2.gz	FFJQWDQDDDKXAD-GJZGRUSLSA-N	-1	0	355.419	2.676	10	30		FFEERM
C=CC[C@H](C(=O)[O-])[C@H](NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C	ZINC000096346990	210097088	/nfs/dbraw/zinc/09/70/88/210097088.db2.gz	SXDKIZPHXVFDPJ-GJZGRUSLSA-N	-1	0	363.410	2.900	10	30		FFEERM
O=[N+]([O-])c1cc2c(cc1C=Nn1c(=S)[n-]nc1-c1ccccn1)OCO2	ZINC000012485498	210961105	/nfs/dbraw/zinc/96/11/05/210961105.db2.gz	HHUIEVIKOSGJDI-REZTVBANSA-N	-1	0	370.350	2.522	10	30		FFEERM
C=CCn1c(C)cc(C(=O)Cn2nc(C(=O)[O-])c3ccccc3c2=O)c1C	ZINC000002617683	506283407	/nfs/dbraw/zinc/28/34/07/506283407.db2.gz	XMFCRGZKGLVMKD-UHFFFAOYSA-N	-1	0	365.389	2.582	10	30		FFEERM
N#Cc1ccc(C(=O)[O-])c(I)c1Br	ZINC000307108281	511766179	/nfs/dbraw/zinc/76/61/79/511766179.db2.gz	JAEMHWOHFJIRHH-UHFFFAOYSA-N	-1	0	351.925	2.624	10	30		FFEERM
N#Cc1ccc(Br)c(CC(=O)[O-])c1I	ZINC000306945690	511765860	/nfs/dbraw/zinc/76/58/60/511765860.db2.gz	APHFAQPENRKOMV-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1ccsc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1	ZINC000600982854	520572819	/nfs/dbraw/zinc/57/28/19/520572819.db2.gz	FFJQWDQDDDKXAD-CABCVRRESA-N	-1	0	355.419	2.676	10	30		FFEERM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)c(F)c1	ZINC000075040012	728243057	/nfs/dbraw/zinc/24/30/57/728243057.db2.gz	QCDISCIXQBUTAR-INIZCTEOSA-N	-1	0	372.462	2.966	10	30		FFEERM
Cc1ccc2c(c1)C(=N[N-]c1nnc3c4ccccc4n(C)c3n1)C(=O)N2C	ZINC000101623639	222279335	/nfs/dbraw/zinc/27/93/35/222279335.db2.gz	NQOJVGYWILKAOB-HAVVHWLPSA-N	-1	0	371.404	2.618	10	30		FFEERM
N#Cc1cc(C(=O)[O-])cc(I)c1OC(F)(F)F	ZINC000575392460	518209376	/nfs/dbraw/zinc/20/93/76/518209376.db2.gz	LACDETKJWAOUBI-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
CC(=NNS(=O)(=O)c1ccc2ccccc2c1)c1c([O-])cc(C)oc1=O	ZINC000254292363	509904733	/nfs/dbraw/zinc/90/47/33/509904733.db2.gz	JPKSWBRMEXNNBA-UHFFFAOYSA-N	-1	0	372.402	2.510	10	30		FFEERM
N#Cc1cc(Br)c(I)c(CC(=O)[O-])c1	ZINC000307522899	511766229	/nfs/dbraw/zinc/76/62/29/511766229.db2.gz	CQAJJALDHMPRDZ-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1c(I)cc(OC(F)(F)F)cc1CC(=O)[O-]	ZINC000514275580	516925950	/nfs/dbraw/zinc/92/59/50/516925950.db2.gz	ADZXAOFRWUBCGZ-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H](NC(=O)CC(C)C)C(C)C)c1	ZINC000048511641	728052047	/nfs/dbraw/zinc/05/20/47/728052047.db2.gz	ZSIQNLGHIDDALI-MRXNPFEDSA-N	-1	0	354.472	2.827	10	30		FFEERM
CN(Cc1cccc(C#N)c1)C(=O)c1nn(-c2ccccc2F)cc1[O-]	ZINC000104142516	508329018	/nfs/dbraw/zinc/32/90/18/508329018.db2.gz	IXITZMFBHBPQFJ-UHFFFAOYSA-N	-1	0	350.353	2.861	10	30		FFEERM
N#Cc1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2)c([N+](=O)[O-])c1	ZINC000179096647	509261947	/nfs/dbraw/zinc/26/19/47/509261947.db2.gz	CTLFXTVAHWOOST-UHFFFAOYSA-N	-1	0	369.362	2.657	10	30		FFEERM
N#Cc1c(Br)ccc(I)c1CC(=O)[O-]	ZINC000306962694	511766166	/nfs/dbraw/zinc/76/61/66/511766166.db2.gz	CAOUYSOGNZWUBJ-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1c(I)cc(C(F)(F)F)cc1CC(=O)[O-]	ZINC000514274705	516925935	/nfs/dbraw/zinc/92/59/35/516925935.db2.gz	GJCBZXYOQJETQO-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#Cc1c(I)c(OC(F)(F)F)ccc1C(=O)[O-]	ZINC000514272543	516925994	/nfs/dbraw/zinc/92/59/94/516925994.db2.gz	PJHDBNFODVXIOI-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
N#Cc1cc(OC(F)(F)F)c(I)cc1CC(=O)[O-]	ZINC000514275254	516926132	/nfs/dbraw/zinc/92/61/32/516926132.db2.gz	MFHLGJPPZIXMLC-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
Cn1c2ccccc2c2nnc(N=NCc3ccc([O-])c([N+](=O)[O-])c3)nc21	ZINC000064981209	221161870	/nfs/dbraw/zinc/16/18/70/221161870.db2.gz	CELXDRFBUJPFFO-GIJQJNRQSA-N	-1	0	363.337	2.576	10	30		FFEERM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](C)C#N	ZINC000125625482	509008714	/nfs/dbraw/zinc/00/87/14/509008714.db2.gz	JVIHBLHKCASUEP-GFCCVEGCSA-N	-1	0	361.398	2.577	10	30		FFEERM
Cc1nc(C=Cc2cccc(OCCCC#N)c2)[nH]c(=O)c1CCC(=O)[O-]	ZINC000195503249	509194634	/nfs/dbraw/zinc/19/46/34/509194634.db2.gz	ICFXESOYFAZNFK-VQHVLOKHSA-N	-1	0	367.405	2.949	10	30		FFEERM
C=C(C)[C@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1	ZINC000408476114	513073459	/nfs/dbraw/zinc/07/34/59/513073459.db2.gz	JQRDVGBTDNIZML-FIYWTHMPSA-N	-1	0	369.405	2.535	10	30		FFEERM
C/C(=C/c1ccc(C)cc1)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000588401903	845957567	/nfs/dbraw/zinc/95/75/67/845957567.db2.gz	RVHABFYXJXWYPU-PTNGSMBKSA-N	-1	0	354.431	2.916	10	30		FFEERM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cccc2)c(F)c1	ZINC000103797862	1009138959	/nfs/dbraw/zinc/13/89/59/1009138959.db2.gz	ATEARIMBCWJLJT-INIZCTEOSA-N	-1	0	371.412	2.870	10	30		FFEERM
C=CCn1c(CCCOc2ccc(OC)cc2)nnc1SCC(=O)[O-]	ZINC000064872058	506238342	/nfs/dbraw/zinc/23/83/42/506238342.db2.gz	NTHNILSKCZSRPR-UHFFFAOYSA-N	-1	0	363.439	2.661	10	30		FFEERM
C[C@H](C#N)NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1	ZINC000171399728	510133455	/nfs/dbraw/zinc/13/34/55/510133455.db2.gz	QIJNZSKALVDSLZ-LLVKDONJSA-N	-1	0	363.826	2.783	10	30		FFEERM
N#Cc1cc(OC(F)(F)F)c(C(=O)[O-])cc1I	ZINC000514272120	516925675	/nfs/dbraw/zinc/92/56/75/516925675.db2.gz	KRIMLOYRQKAUMG-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
O=C([N-]S(=O)(=O)N1CCc2ccccc2C1)c1cccc2cc[nH]c21	ZINC000076913068	728268913	/nfs/dbraw/zinc/26/89/13/728268913.db2.gz	OSXMZCALMUZSEV-UHFFFAOYSA-N	-1	0	355.419	2.776	10	30		FFEERM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1	ZINC000122657017	728650143	/nfs/dbraw/zinc/65/01/43/728650143.db2.gz	IYIDDOLLTYRKEA-HZSPNIEDSA-N	-1	0	372.222	2.878	10	30		FFEERM
C=CCN1C(=O)N/C(=C\c2cc(Cl)c([O-])c(Br)c2)C1=O	ZINC000104981825	222363753	/nfs/dbraw/zinc/36/37/53/222363753.db2.gz	CWYSWYSNVQJYLI-POHAHGRESA-N	-1	0	357.591	2.887	10	30		FFEERM
N#CCCCN1CC[C@@H](c2ccc(F)cc2)[C@H]([N-]C(=O)C(F)(F)F)C1	ZINC000245552382	510001130	/nfs/dbraw/zinc/00/11/30/510001130.db2.gz	QJQLXDOBVIUATE-LSDHHAIUSA-N	-1	0	357.351	2.966	10	30		FFEERM
N#Cc1cc(OC(F)(F)F)cc(I)c1C(=O)[O-]	ZINC000575392077	518208777	/nfs/dbraw/zinc/20/87/77/518208777.db2.gz	AWTKJFOYCJVHNO-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
N#Cc1c(OC(F)(F)F)cc(I)cc1C(=O)[O-]	ZINC000575392797	518210369	/nfs/dbraw/zinc/21/03/69/518210369.db2.gz	XEGHHKAKJXEXDS-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
C=CC[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])N2Cc2ccccc2)C1	ZINC000630667809	523024026	/nfs/dbraw/zinc/02/40/26/523024026.db2.gz	VMKJCFUQJYDVKA-QRQLOZEOSA-N	-1	0	356.466	2.919	10	30		FFEERM
O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc2cc[nH]c21	ZINC000076761559	728266360	/nfs/dbraw/zinc/26/63/60/728266360.db2.gz	FVVJZQQPAUSMQO-UHFFFAOYSA-N	-1	0	359.363	2.911	10	30		FFEERM
C#CCOc1cccc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)c1	ZINC000108250318	728520500	/nfs/dbraw/zinc/52/05/00/728520500.db2.gz	DPSAXBFSJGFEFI-UHFFFAOYSA-N	-1	0	361.810	2.801	10	30		FFEERM
C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1	ZINC000102320029	1003679718	/nfs/dbraw/zinc/67/97/18/1003679718.db2.gz	ZNMHTANYWDSRAA-UHFFFAOYSA-N	-1	0	367.430	2.951	10	30		FFEERM
COc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)NC2=O)ccc1O	ZINC000013915239	220099011	/nfs/dbraw/zinc/09/90/11/220099011.db2.gz	MPSNBSGANLFRLW-OQLLNIDSSA-N	-1	0	370.386	2.991	10	30		FFEERM
N#Cc1cc(I)cc(CC(=O)[O-])c1OC(F)(F)F	ZINC000575392090	518209430	/nfs/dbraw/zinc/20/94/30/518209430.db2.gz	BUDGLBIPISTIJQ-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
N#Cc1cc(OC(F)(F)F)c(I)cc1C(=O)[O-]	ZINC000575392500	518209465	/nfs/dbraw/zinc/20/94/65/518209465.db2.gz	MSEQOSWBMSTHSU-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
CN(O)C(=O)c1cc(Br)ccc1I	ZINC000306591071	511764742	/nfs/dbraw/zinc/76/47/42/511764742.db2.gz	VHVJDWOCDFMYBP-UHFFFAOYSA-N	-1	0	355.957	2.515	10	30		FFEERM
N#Cc1cc(CC(=O)[O-])c(I)cc1Br	ZINC000307267281	511765577	/nfs/dbraw/zinc/76/55/77/511765577.db2.gz	IGFZHFHUWKTWQB-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
CC(C)c1ccc2c(c1)[C@@]1(C[C@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1)CCO2	ZINC000583622953	519346396	/nfs/dbraw/zinc/34/63/96/519346396.db2.gz	LSBJAIOLZNWGEL-XOBRGWDASA-N	-1	0	361.405	2.955	10	30		FFEERM
N#Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])N2Cc2ccccc2)cc1F	ZINC000600984441	520573649	/nfs/dbraw/zinc/57/36/49/520573649.db2.gz	RAOCDWZCXIUNTR-ROUUACIJSA-N	-1	0	367.380	2.754	10	30		FFEERM
N#Cc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])N2Cc2ccccc2)ccc1F	ZINC000600984585	520575278	/nfs/dbraw/zinc/57/52/78/520575278.db2.gz	RTTSXKWKGKSNNG-MSOLQXFVSA-N	-1	0	367.380	2.754	10	30		FFEERM
COc1ccc(-c2nc(C#N)c(N3CCC(C(=O)[O-])CC3)o2)cc1OC	ZINC000040165732	506477621	/nfs/dbraw/zinc/47/76/21/506477621.db2.gz	OQLUXZKYHVUFMY-UHFFFAOYSA-N	-1	0	357.366	2.531	10	30		FFEERM
N#Cc1ccc(C(F)(F)F)c(I)c1CC(=O)[O-]	ZINC000575392984	518209862	/nfs/dbraw/zinc/20/98/62/518209862.db2.gz	TXGOSGYMIPWASA-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#Cc1cc(I)c(C(=O)[O-])c(OC(F)(F)F)c1	ZINC000575392798	518210196	/nfs/dbraw/zinc/21/01/96/518210196.db2.gz	XHEFJXDWBIXHCU-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
N#Cc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])N2Cc2ccccc2)c(F)c1	ZINC000600984773	520575120	/nfs/dbraw/zinc/57/51/20/520575120.db2.gz	XHTONDBNDHQGFC-MSOLQXFVSA-N	-1	0	367.380	2.754	10	30		FFEERM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1	ZINC000123147069	728655791	/nfs/dbraw/zinc/65/57/91/728655791.db2.gz	JATIMCVBCAYIAA-HZSPNIEDSA-N	-1	0	372.222	2.878	10	30		FFEERM
N#Cc1cc(OC(F)(F)F)c(CC(=O)[O-])cc1I	ZINC000575392117	518209368	/nfs/dbraw/zinc/20/93/68/518209368.db2.gz	FGXUTGJDOSPNHM-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
N#Cc1cc(C(=O)[O-])cc(OC(F)(F)F)c1I	ZINC000575392233	518209450	/nfs/dbraw/zinc/20/94/50/518209450.db2.gz	KGRPPERYRKCMNJ-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
N#Cc1ccc(I)c(OC(F)(F)F)c1CC(=O)[O-]	ZINC000575392550	518209472	/nfs/dbraw/zinc/20/94/72/518209472.db2.gz	PUCRLHLEGPQLHB-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c(Cl)c1	ZINC000102862095	508288254	/nfs/dbraw/zinc/28/82/54/508288254.db2.gz	VGROLFSQBSFEKG-UHFFFAOYSA-N	-1	0	368.773	2.938	10	30		FFEERM
N#Cc1ccc(CC(=O)[O-])c(I)c1C(F)(F)F	ZINC000514275941	516925763	/nfs/dbraw/zinc/92/57/63/516925763.db2.gz	HTMZYRKAWWGCNT-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
COc1ccc(C([O-])=C2C(=O)C=C(c3ccc(OC)cc3)OC2=O)cc1	ZINC000001043945	219357824	/nfs/dbraw/zinc/35/78/24/219357824.db2.gz	GWZOZPUHBNHYRK-SFHVURJKSA-N	-1	0	352.342	2.670	10	30		FFEERM
N#Cc1ccc(CSCC(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000262490856	510298165	/nfs/dbraw/zinc/29/81/65/510298165.db2.gz	GCGRZZMSZRFRAN-SFHVURJKSA-N	-1	0	368.458	2.851	10	30		FFEERM
N#Cc1ccc(C(F)(F)F)c(CC(=O)[O-])c1I	ZINC000575392959	518210149	/nfs/dbraw/zinc/21/01/49/518210149.db2.gz	RIOGQULHBBOTAY-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#Cc1ccsc1C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000158636198	728891793	/nfs/dbraw/zinc/89/17/93/728891793.db2.gz	DUENHRPXMILUOP-UHFFFAOYSA-N	-1	0	360.338	2.757	10	30		FFEERM
C#CC[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)c1ccccc1	ZINC000263310537	729684916	/nfs/dbraw/zinc/68/49/16/729684916.db2.gz	YORLBXAACUBFDS-MCIONIFRSA-N	-1	0	354.328	2.656	10	30		FFEERM
Cc1ccc(N2CCC[C@@H](/N=C(/[O-])Cc3cn4ccsc4n3)C2)nn1	ZINC000329557122	729798025	/nfs/dbraw/zinc/79/80/25/729798025.db2.gz	FBOUBGCMXSVZFU-CYBMUJFWSA-N	-1	0	356.455	2.662	10	30		FFEERM
CN1C(=O)/C(=C/c2ccncc2)S/C1=N\c1ccc(O)cc1C(=O)[O-]	ZINC000016930866	220197452	/nfs/dbraw/zinc/19/74/52/220197452.db2.gz	SENKUXBDZPFGTI-QEEYBCOYSA-N	-1	0	355.375	2.719	10	30		FFEERM
N#Cc1ccc(I)c(CC(=O)[O-])c1OC(F)(F)F	ZINC000575392470	518209455	/nfs/dbraw/zinc/20/94/55/518209455.db2.gz	LJLQTDPOBQRKIU-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
N#Cc1c(I)ccc(CC(=O)[O-])c1OC(F)(F)F	ZINC000575392192	518209547	/nfs/dbraw/zinc/20/95/47/518209547.db2.gz	IKUQPARLLINUIE-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
N#Cc1cc(OC(F)(F)F)cc(C(=O)[O-])c1I	ZINC000575392466	518209591	/nfs/dbraw/zinc/20/95/91/518209591.db2.gz	LGGJXTOMKWUYSD-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1=O	ZINC000048409324	507518570	/nfs/dbraw/zinc/51/85/70/507518570.db2.gz	BQEQOROIPCMHQB-MRVPVSSYSA-N	-1	0	365.238	2.507	10	30		FFEERM
O=S(=O)([O-])C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F	ZINC000111391854	508096030	/nfs/dbraw/zinc/09/60/30/508096030.db2.gz	VFOJXEHRTNGBDB-UHFFFAOYSA-N	-1	0	362.116	2.730	10	30		FFEERM
N#Cc1c(I)ccc(Br)c1C(=O)[O-]	ZINC000307268012	511765433	/nfs/dbraw/zinc/76/54/33/511765433.db2.gz	JTQLMYPTMXZNNU-UHFFFAOYSA-N	-1	0	351.925	2.624	10	30		FFEERM
C=CCN(CC(F)(F)F)C(=O)[C@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1	ZINC000630659122	523013331	/nfs/dbraw/zinc/01/33/31/523013331.db2.gz	WDECMJGRJPSOKY-CABCVRRESA-N	-1	0	370.371	2.681	10	30		FFEERM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1	ZINC000245927521	729577353	/nfs/dbraw/zinc/57/73/53/729577353.db2.gz	JATIMCVBCAYIAA-MELADBBJSA-N	-1	0	372.222	2.878	10	30		FFEERM
Oc1ccc(Br)cc1C=Nn1c(=S)[n-]nc1C(F)(F)F	ZINC000098027856	222221249	/nfs/dbraw/zinc/22/12/49/222221249.db2.gz	HYIONAIHTZMCLK-TVPGTPATSA-N	-1	0	367.150	2.936	10	30		FFEERM
O=C([O-])c1ccc([C@H]2C3=C(CCCC3=O)N=C3SCCC(=O)N32)cc1	ZINC000035575992	506388815	/nfs/dbraw/zinc/38/88/15/506388815.db2.gz	TYWQPTBWTOEKAQ-INIZCTEOSA-N	-1	0	356.403	2.768	10	30		FFEERM
N#C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)C1CC1	ZINC000108834554	507921240	/nfs/dbraw/zinc/92/12/40/507921240.db2.gz	UQDJAIUOMYACPL-AWEZNQCLSA-N	-1	0	361.448	2.581	10	30		FFEERM
N#Cc1cc(I)c(CC(=O)[O-])cc1Br	ZINC000307055060	511765359	/nfs/dbraw/zinc/76/53/59/511765359.db2.gz	SFDQZFNZEXMVLM-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1cc(C(F)(F)F)cc(I)c1CC(=O)[O-]	ZINC000514273673	516925813	/nfs/dbraw/zinc/92/58/13/516925813.db2.gz	LTOQKOIXXXYHDZ-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#Cc1cc(CC(=O)[O-])c(C(F)(F)F)cc1I	ZINC000575392989	518210392	/nfs/dbraw/zinc/21/03/92/518210392.db2.gz	UAXBUXPYTFXBMA-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
O=C([O-])C[C@H]1S/C(=N/N=C(/Cc2ccccc2)c2ccccc2)NC1=O	ZINC000020509760	527637601	/nfs/dbraw/zinc/63/76/01/527637601.db2.gz	LCCSXMWQNABTMU-KQRQPNSISA-N	-1	0	367.430	2.696	10	30		FFEERM
N#Cc1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCN(Cc1ccccc1)C2	ZINC000002944884	506303697	/nfs/dbraw/zinc/30/36/97/506303697.db2.gz	OIOSNUJQWHDZQD-VOTSOKGWSA-N	-1	0	367.430	2.757	10	30		FFEERM
N#Cc1cc(CC(=O)[O-])c(Br)cc1I	ZINC000307186747	511766068	/nfs/dbraw/zinc/76/60/68/511766068.db2.gz	MUPRAQUQBBMXIL-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1c(I)c(C(=O)[O-])ccc1OC(F)(F)F	ZINC000575392777	518210035	/nfs/dbraw/zinc/21/00/35/518210035.db2.gz	WAZBVPSNSJFXEA-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
COc1ccccc1[C@@H](C[N+](=O)[O-])C1=C([O-])c2ccccc2C(=O)C1=O	ZINC000584655239	518418656	/nfs/dbraw/zinc/41/86/56/518418656.db2.gz	CUCBULHWWOTWJE-CQSZACIVSA-N	-1	0	353.330	2.947	10	30		FFEERM
Cc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1	ZINC000600984144	520574347	/nfs/dbraw/zinc/57/43/47/520574347.db2.gz	OWSMLEJJQHDJKF-OALUTQOASA-N	-1	0	363.417	2.923	10	30		FFEERM
CCCCS(=O)(=O)[N-]C(=O)[C@H](NC(=O)c1ccccc1)[C@H](C)CC	ZINC000048552130	728053896	/nfs/dbraw/zinc/05/38/96/728053896.db2.gz	GZDYKMXFOFPCEC-UKRRQHHQSA-N	-1	0	354.472	2.918	10	30		FFEERM
NS(=O)(=O)c1ccc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000005287327	844996969	/nfs/dbraw/zinc/99/69/69/844996969.db2.gz	SLBKHUYAGCIHGB-QGMBQPNBSA-N	-1	0	359.234	2.966	10	30		FFEERM
CC1(C)Cc2cc(S(=O)(=O)[N-]c3nc4c(cc3C#N)CCC4)ccc2O1	ZINC000333390752	978301368	/nfs/dbraw/zinc/30/13/68/978301368.db2.gz	GXURVDVYVUTJFC-UHFFFAOYSA-N	-1	0	369.446	2.956	10	30		FFEERM
CCn1c2ccccc2c2nnc([N-]N=C3c4ccccc4NC3=O)nc21	ZINC000040827623	205081333	/nfs/dbraw/zinc/08/13/33/205081333.db2.gz	SASFPPZZKMPIJG-UHFFFAOYSA-N	-1	0	357.377	2.768	10	30		FFEERM
O=C1c2ccccc2C(=O)C1=C1C=Cc2cccc(S(=O)(=O)[O-])c2N1	ZINC000138075151	206134253	/nfs/dbraw/zinc/13/42/53/206134253.db2.gz	SSZOKOWJUDWEPA-UHFFFAOYSA-N	-1	0	353.355	2.705	10	30		FFEERM
N#Cc1ccc(OC(F)(F)F)c(I)c1C(=O)[O-]	ZINC000575392151	518209322	/nfs/dbraw/zinc/20/93/22/518209322.db2.gz	HGXOCWZSQYIIGR-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
N#Cc1cc(Br)c(CC(=O)[O-])cc1I	ZINC000306719320	511764422	/nfs/dbraw/zinc/76/44/22/511764422.db2.gz	KNUIPFMIFYJKDR-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1c(Br)ccc(CC(=O)[O-])c1I	ZINC000307650780	511767583	/nfs/dbraw/zinc/76/75/83/511767583.db2.gz	KRFYJXHCEBBRRK-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
O=C([N-]S(=O)(=O)Cc1ccccc1Cl)c1n[nH]c2c1CCCC2	ZINC000083791635	728414570	/nfs/dbraw/zinc/41/45/70/728414570.db2.gz	VYVHUKJYPOKYKY-UHFFFAOYSA-N	-1	0	353.831	2.777	10	30		FFEERM
C#CCCCS(=O)(=O)Nc1cc(C(=O)[O-])c(Br)cc1C	ZINC000710383441	977507294	/nfs/dbraw/zinc/50/72/94/977507294.db2.gz	WSZDFOXHNVWXPO-UHFFFAOYSA-N	-1	0	360.229	2.611	10	30		FFEERM
CCc1cccc2c(CC(=O)[N-]S(=O)(=O)c3ccc(C#N)cc3)c[nH]c21	ZINC000109412959	1005826554	/nfs/dbraw/zinc/82/65/54/1005826554.db2.gz	YLQZPUBCSBZRDJ-UHFFFAOYSA-N	-1	0	367.430	2.650	10	30		FFEERM
N#Cc1ccc(I)c(C(=O)[O-])c1OC(F)(F)F	ZINC000575392185	518209403	/nfs/dbraw/zinc/20/94/03/518209403.db2.gz	IEHPPOTULIIIRZ-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1cnc(N3CCOCC3)s1)CC2	ZINC000171045752	509906133	/nfs/dbraw/zinc/90/61/33/509906133.db2.gz	JFPYYWHXZSOATI-DHZHZOJOSA-N	-1	0	374.418	2.792	10	30		FFEERM
N#Cc1cc(I)c(CC(=O)[O-])cc1OC(F)(F)F	ZINC000514275270	516926051	/nfs/dbraw/zinc/92/60/51/516926051.db2.gz	NYZCLBXHWPYIPA-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2n[nH]c3c2CCCC3)cc1	ZINC000091127204	728455667	/nfs/dbraw/zinc/45/56/67/728455667.db2.gz	PSZGHRWXRMHRFR-UHFFFAOYSA-N	-1	0	363.439	2.769	10	30		FFEERM
Cn1cccc1/C=C1\S/C(=N\c2ccc(O)cc2C(=O)[O-])N(C)C1=O	ZINC000016930882	204644672	/nfs/dbraw/zinc/64/46/72/204644672.db2.gz	HDAGMRLZEVOSOB-AVTAEFAWSA-N	-1	0	357.391	2.663	10	30		FFEERM
N#Cc1c(I)ccc(CC(=O)[O-])c1C(F)(F)F	ZINC000575392139	518209438	/nfs/dbraw/zinc/20/94/38/518209438.db2.gz	BOUIGAHLHLIVLN-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
C=CCc1ccc(NC(=O)COC)c(C(=O)c2ccc(OC)cc2)c1[O-]	ZINC000222921309	509325642	/nfs/dbraw/zinc/32/56/42/509325642.db2.gz	YCESRYMHIHDSSK-UHFFFAOYSA-N	-1	0	355.390	2.945	10	30		FFEERM
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000408505171	513083275	/nfs/dbraw/zinc/08/32/75/513083275.db2.gz	WKOMUUSPKQZSOL-ROUUACIJSA-N	-1	0	363.479	2.742	10	30		FFEERM
N#Cc1cc(I)cc(C(F)(F)F)c1CC(=O)[O-]	ZINC000575392715	518210325	/nfs/dbraw/zinc/21/03/25/518210325.db2.gz	QLRUNABDGQNIJF-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#Cc1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)ccc1F	ZINC000600984588	520573775	/nfs/dbraw/zinc/57/37/75/520573775.db2.gz	RTTSXKWKGKSNNG-ZWKOTPCHSA-N	-1	0	367.380	2.754	10	30		FFEERM
N#Cc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)c(F)c1	ZINC000600984774	520573825	/nfs/dbraw/zinc/57/38/25/520573825.db2.gz	XHTONDBNDHQGFC-QZTJIDSGSA-N	-1	0	367.380	2.754	10	30		FFEERM
N#Cc1cc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])N2Cc2ccccc2)ccc1F	ZINC000600984587	520574246	/nfs/dbraw/zinc/57/42/46/520574246.db2.gz	RTTSXKWKGKSNNG-ROUUACIJSA-N	-1	0	367.380	2.754	10	30		FFEERM
CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)[O-]	ZINC000005978046	204233751	/nfs/dbraw/zinc/23/37/51/204233751.db2.gz	VKPWUQVGTPVEMU-QVPQFPIISA-N	-1	0	368.470	2.654	10	30	endogenous,world	FFEERM
N#Cc1cc(C(=O)[O-])c(I)cc1OC(F)(F)F	ZINC000575392132	518209440	/nfs/dbraw/zinc/20/94/40/518209440.db2.gz	GMAWQNLAGXHSEA-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3cc[nH]c32)cc1Cl	ZINC000174218863	729066166	/nfs/dbraw/zinc/06/61/66/729066166.db2.gz	XOQFMGUJNOYACT-UHFFFAOYSA-N	-1	0	359.794	2.812	10	30		FFEERM
N#Cc1cc(NC(=O)c2csc(C(=O)[O-])n2)ccc1Br	ZINC000721397736	978102376	/nfs/dbraw/zinc/10/23/76/978102376.db2.gz	QHZYCIBCRKDEAB-UHFFFAOYSA-N	-1	0	352.169	2.728	10	30		FFEERM
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C(=O)[O-])[C@@H]1CC[C@@H]2C(=O)CO	ZINC000006067875	204236660	/nfs/dbraw/zinc/23/66/60/204236660.db2.gz	RUPOMAOZPOVHQZ-XYNCURNNSA-N	-1	0	360.450	2.761	10	30	endogenous,in-man	FFEERM
CC(=O)C(N=Nc1cc([N+](=O)[O-])ccc1C(=O)[O-])C(=O)c1ccccc1	ZINC000006508484	204250446	/nfs/dbraw/zinc/25/04/46/204250446.db2.gz	UHLNQESOJZXHSZ-XDJHFCHBSA-N	-1	0	355.306	2.533	10	30		FFEERM
O=C([O-])c1ccccc1C=NN1C(=S)N=NC1COc1ccccc1	ZINC000033342215	204966820	/nfs/dbraw/zinc/96/68/20/204966820.db2.gz	PGYLHDZTWMWQAV-ZDLGFXPLSA-N	-1	0	354.391	2.726	10	30		FFEERM
CCN1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccccn2)O3)CC1	ZINC000041514997	205090955	/nfs/dbraw/zinc/09/09/55/205090955.db2.gz	VKPRLDXVOZTYRA-UYRXBGFRSA-N	-1	0	365.433	2.541	10	30		FFEERM
N#C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)C1CC1	ZINC000108834556	507921247	/nfs/dbraw/zinc/92/12/47/507921247.db2.gz	UQDJAIUOMYACPL-CQSZACIVSA-N	-1	0	361.448	2.581	10	30		FFEERM
N#Cc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)c(F)c1	ZINC000600984776	520574630	/nfs/dbraw/zinc/57/46/30/520574630.db2.gz	XHTONDBNDHQGFC-ZWKOTPCHSA-N	-1	0	367.380	2.754	10	30		FFEERM
Cc1ccc(N2CCC[C@H](/N=C(/[O-])Cc3cn4ccsc4n3)C2)nn1	ZINC000329557123	729798057	/nfs/dbraw/zinc/79/80/57/729798057.db2.gz	FBOUBGCMXSVZFU-ZDUSSCGKSA-N	-1	0	356.455	2.662	10	30		FFEERM
O=C(CN1C(=O)/C(=N/[O-])c2cc(Br)ccc21)Nc1ccccc1	ZINC000004754283	206180823	/nfs/dbraw/zinc/18/08/23/206180823.db2.gz	PRBKLGCUOGRZKW-XDJHFCHBSA-N	-1	0	374.194	2.613	10	30		FFEERM
Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(F)cc3C#N)c2)no1	ZINC000132027111	251038865	/nfs/dbraw/zinc/03/88/65/251038865.db2.gz	VTTGXQNSWNHYTP-UHFFFAOYSA-N	-1	0	358.354	2.857	10	30		FFEERM
N#Cc1c(I)cc(Br)cc1CC(=O)[O-]	ZINC000307138938	511765690	/nfs/dbraw/zinc/76/56/90/511765690.db2.gz	CGNGTOBOWJRWIA-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1cc(C(F)(F)F)c(CC(=O)[O-])cc1I	ZINC000514275186	516925717	/nfs/dbraw/zinc/92/57/17/516925717.db2.gz	GBELTGIRLSPGIG-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#Cc1c(CC(=O)[O-])cc(I)cc1C(F)(F)F	ZINC000575393003	518210299	/nfs/dbraw/zinc/21/02/99/518210299.db2.gz	VDFDBYCEVBBYTP-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
CC(C)CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1)C(C)C	ZINC000048568732	728054588	/nfs/dbraw/zinc/05/45/88/728054588.db2.gz	SDONWYAUMNHVLR-MRXNPFEDSA-N	-1	0	372.462	2.799	10	30		FFEERM
N#CCN(CC#N)c1ncnc([N-]c2nc3ccccc3s2)c1[N+](=O)[O-]	ZINC000040617921	205074774	/nfs/dbraw/zinc/07/47/74/205074774.db2.gz	YFUXMGUNULDULR-UHFFFAOYSA-N	-1	0	366.366	2.592	10	30		FFEERM
N#Cc1cc(OC(F)(F)F)cc(I)c1CC(=O)[O-]	ZINC000575392514	518209482	/nfs/dbraw/zinc/20/94/82/518209482.db2.gz	NKQSZSKWZHNLJO-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
N#Cc1ccc(C(=O)[O-])c(I)c1OC(F)(F)F	ZINC000514272369	516926009	/nfs/dbraw/zinc/92/60/09/516926009.db2.gz	QUPDQAMFBHSJAZ-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
Cc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1	ZINC000600984145	520574881	/nfs/dbraw/zinc/57/48/81/520574881.db2.gz	OWSMLEJJQHDJKF-RBUKOAKNSA-N	-1	0	363.417	2.923	10	30		FFEERM
N#Cc1ccc(Br)c(I)c1CC(=O)[O-]	ZINC000306932687	511766096	/nfs/dbraw/zinc/76/60/96/511766096.db2.gz	DVLNGVSCEXSBQL-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1cc(I)cc(OC(F)(F)F)c1C(=O)[O-]	ZINC000514271864	516925796	/nfs/dbraw/zinc/92/57/96/516925796.db2.gz	VMDIKEDFMBQCRA-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
C=CCCSCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1	ZINC000600983866	520572560	/nfs/dbraw/zinc/57/25/60/520572560.db2.gz	MCPURUXSAZHOIH-DLBZAZTESA-N	-1	0	362.495	2.530	10	30		FFEERM
CN1C(=O)/C(=C/c2ccccn2)S/C1=N\c1ccc(O)cc1C(=O)[O-]	ZINC000016930858	207601765	/nfs/dbraw/zinc/60/17/65/207601765.db2.gz	HMZQDDPAVKFOIM-QEEYBCOYSA-N	-1	0	355.375	2.719	10	30		FFEERM
N#Cc1cc(I)c(CC(=O)[O-])c(OC(F)(F)F)c1	ZINC000514273956	516925652	/nfs/dbraw/zinc/92/56/52/516925652.db2.gz	DIVSERPHXHIWJK-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
COc1ccccc1[C@H](C[N+](=O)[O-])C1=C([O-])c2ccccc2C(=O)C1=O	ZINC000584655235	518418204	/nfs/dbraw/zinc/41/82/04/518418204.db2.gz	CUCBULHWWOTWJE-AWEZNQCLSA-N	-1	0	353.330	2.947	10	30		FFEERM
COc1cc2c(cc1OC)S(=O)(=O)OC(c1cccc(C(=O)[O-])c1)=C2	ZINC000005357822	207095313	/nfs/dbraw/zinc/09/53/13/207095313.db2.gz	HQXKAXCSQHCARX-UHFFFAOYSA-N	-1	0	362.359	2.619	10	30		FFEERM
CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)n1	ZINC000195504950	509196701	/nfs/dbraw/zinc/19/67/01/509196701.db2.gz	FMJLOLOHJDGYEI-UHFFFAOYSA-N	-1	0	360.439	2.850	10	30		FFEERM
O=S(=O)([O-])c1cccc(C(=NNc2ccccn2)c2ccccn2)c1	ZINC000255998927	509941665	/nfs/dbraw/zinc/94/16/65/509941665.db2.gz	RFBIFVJURBNJJY-UHFFFAOYSA-N	-1	0	354.391	2.588	10	30		FFEERM
N#Cc1cc(OC(F)(F)F)cc(CC(=O)[O-])c1I	ZINC000575392785	518209998	/nfs/dbraw/zinc/20/99/98/518209998.db2.gz	WLSUOOINCLBJBK-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
CC(C)COC(=O)c1cccc(-c2ccc(CN=Nc3nnn[n-]3)o2)c1	ZINC000008306594	519751097	/nfs/dbraw/zinc/75/10/97/519751097.db2.gz	HMQUZQOCRIZVKY-GIJQJNRQSA-N	-1	0	354.370	2.719	10	30		FFEERM
C=CCCSCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N1Cc1ccccc1	ZINC000600983869	520572705	/nfs/dbraw/zinc/57/27/05/520572705.db2.gz	MCPURUXSAZHOIH-SJORKVTESA-N	-1	0	362.495	2.530	10	30		FFEERM
COc1cc(Br)ccc1C=CC([O-])=C1C(=O)C=C(C)OC1=O	ZINC000588419673	845959949	/nfs/dbraw/zinc/95/99/49/845959949.db2.gz	IJTLFKWSLAGBPB-VOKGJARPSA-N	-1	0	365.179	2.686	10	30		FFEERM
N#Cc1ccc(CNC(=O)c2nn(-c3ccccc3F)cc2[O-])c(F)c1	ZINC000105653576	508379949	/nfs/dbraw/zinc/37/99/49/508379949.db2.gz	PZIPTPVZWXRXFF-UHFFFAOYSA-N	-1	0	354.316	2.658	10	30		FFEERM
N#Cc1cc(I)c(CC(=O)[O-])cc1C(F)(F)F	ZINC000514274755	516926107	/nfs/dbraw/zinc/92/61/07/516926107.db2.gz	KZVWKBYAWLHQBH-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
Cc1cc(C#N)cc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])N2Cc2ccccc2)c1	ZINC000600983080	520572717	/nfs/dbraw/zinc/57/27/17/520572717.db2.gz	FXNZRETZPOQLJS-OALUTQOASA-N	-1	0	363.417	2.923	10	30		FFEERM
CCCCS(=O)(=O)[N-]C(=O)[C@H](NC(=O)c1ccccc1)[C@@H](C)CC	ZINC000048552128	728053858	/nfs/dbraw/zinc/05/38/58/728053858.db2.gz	GZDYKMXFOFPCEC-DZGCQCFKSA-N	-1	0	354.472	2.918	10	30		FFEERM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCC2(F)F)cc1Cl	ZINC000408486619	513076131	/nfs/dbraw/zinc/07/61/31/513076131.db2.gz	SZECEIBRONSZHN-LLVKDONJSA-N	-1	0	362.785	2.842	10	30		FFEERM
N#Cc1c(I)ccc(OC(F)(F)F)c1CC(=O)[O-]	ZINC000514273902	516926037	/nfs/dbraw/zinc/92/60/37/516926037.db2.gz	AFKIUFNLSPBRES-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
N#Cc1cc(I)c(C(F)(F)F)c(CC(=O)[O-])c1	ZINC000575393090	518210071	/nfs/dbraw/zinc/21/00/71/518210071.db2.gz	YRIQRNGGCGNKCS-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
C[C@@H]1OCC[C@@H]1NC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1	ZINC000330071106	729799825	/nfs/dbraw/zinc/79/98/25/729799825.db2.gz	IOWWSNRCBUDBDL-XVKPBYJWSA-N	-1	0	356.810	2.923	10	30		FFEERM
Cc1[nH]nc([N-]S(=O)(=O)C=Cc2cccc(Br)c2)c1C#N	ZINC000588450563	845964001	/nfs/dbraw/zinc/96/40/01/845964001.db2.gz	ALZFGOGEZCXBIM-WAYWQWQTSA-N	-1	0	367.228	2.765	10	30		FFEERM
Cc1ccc2c(c1)C([O-])=C(C(=O)NCC(=O)OC(C)(C)C)C(=O)C2(C)C	ZINC000116709928	508549944	/nfs/dbraw/zinc/54/99/44/508549944.db2.gz	IDOVIEAENJXKPY-UHFFFAOYSA-N	-1	0	359.422	2.582	10	30		FFEERM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCOc3ccccc32)c(F)c1	ZINC000177118725	509883349	/nfs/dbraw/zinc/88/33/49/509883349.db2.gz	DWSSGXLLDIOEMY-CQSZACIVSA-N	-1	0	350.346	2.639	10	30		FFEERM
N#Cc1ccc(Br)c(I)c1C(=O)[O-]	ZINC000307103129	511766265	/nfs/dbraw/zinc/76/62/65/511766265.db2.gz	DFLPQTVPGXNSJP-UHFFFAOYSA-N	-1	0	351.925	2.624	10	30		FFEERM
N#Cc1cc(I)c(Br)c(CC(=O)[O-])c1	ZINC000307091922	511766492	/nfs/dbraw/zinc/76/64/92/511766492.db2.gz	YJAPUQUZVKXOCV-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
C=CCCSCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1	ZINC000600983867	520572100	/nfs/dbraw/zinc/57/21/00/520572100.db2.gz	MCPURUXSAZHOIH-IAGOWNOFSA-N	-1	0	362.495	2.530	10	30		FFEERM
N#Cc1cc(F)cc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])N2Cc2ccccc2)c1	ZINC000600983864	520572794	/nfs/dbraw/zinc/57/27/94/520572794.db2.gz	MCBCPYOMGZHVFW-ROUUACIJSA-N	-1	0	367.380	2.754	10	30		FFEERM
N#Cc1cc(OC(F)(F)F)c(I)c(C(=O)[O-])c1	ZINC000575392600	518209343	/nfs/dbraw/zinc/20/93/43/518209343.db2.gz	SRBNFPPFOAZAQF-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2nc3c(s2)COCC3)c1	ZINC000186423774	509703221	/nfs/dbraw/zinc/70/32/21/509703221.db2.gz	VHXJZRMUKMTSCT-UHFFFAOYSA-N	-1	0	355.828	2.542	10	30		FFEERM
N#Cc1ccc(I)c(Br)c1CC(=O)[O-]	ZINC000306709105	511763913	/nfs/dbraw/zinc/76/39/13/511763913.db2.gz	UMVFJFAUJMHBBP-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1c(I)cc(CC(=O)[O-])cc1OC(F)(F)F	ZINC000514275314	516926155	/nfs/dbraw/zinc/92/61/55/516926155.db2.gz	SJMNIAJMXXSWJN-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
N#Cc1c(I)c(C(F)(F)F)ccc1CC(=O)[O-]	ZINC000575392724	518210344	/nfs/dbraw/zinc/21/03/44/518210344.db2.gz	RHZCWZXYEPNBRP-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#CCc1cccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)c1	ZINC000600984850	520574810	/nfs/dbraw/zinc/57/48/10/520574810.db2.gz	YWYCWAFWMCCZPK-RTBURBONSA-N	-1	0	363.417	2.809	10	30		FFEERM
C=CCn1c(=O)c2ccc(C(=O)NCC[C@H]3CCCO3)cc2[n-]c1=S	ZINC000106063964	845622348	/nfs/dbraw/zinc/62/23/48/845622348.db2.gz	CFORFGLWEJOWNT-CYBMUJFWSA-N	-1	0	359.451	2.544	10	30		FFEERM
C[C@]12CC[C@@H]3c4ccc(O)cc4/C(=N/OCC(=O)[O-])C[C@H]3[C@@H]1CC[C@@H]2O	ZINC000038807190	208206357	/nfs/dbraw/zinc/20/63/57/208206357.db2.gz	AWARIMYXKAIIGO-FIIMHDCBSA-N	-1	0	359.422	2.872	10	30	in-vitro	FFEERM
N#Cc1ccc(CSc2nc3ccsc3c(=O)n2CC(=O)[O-])cc1	ZINC000073661477	208187985	/nfs/dbraw/zinc/18/79/85/208187985.db2.gz	KWFRGNHITMQLDM-UHFFFAOYSA-N	-1	0	357.416	2.707	10	30		FFEERM
N#Cc1cc(I)c(OC(F)(F)F)cc1C(=O)[O-]	ZINC000575392102	518209254	/nfs/dbraw/zinc/20/92/54/518209254.db2.gz	DGQROVPOZRBTTR-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
N#Cc1cc(I)cc(C(=O)[O-])c1OC(F)(F)F	ZINC000575392596	518209262	/nfs/dbraw/zinc/20/92/62/518209262.db2.gz	SOFOMRUCPDPLHR-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
N#Cc1ccc(CC(=O)[O-])c(I)c1Br	ZINC000307096931	511765589	/nfs/dbraw/zinc/76/55/89/511765589.db2.gz	DXOPNHPURGYPOL-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1c(Br)c(I)ccc1CC(=O)[O-]	ZINC000307644466	511767047	/nfs/dbraw/zinc/76/70/47/511767047.db2.gz	UFJXZQRVBCOOID-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1ccsc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1	ZINC000600982857	520572732	/nfs/dbraw/zinc/57/27/32/520572732.db2.gz	FFJQWDQDDDKXAD-LSDHHAIUSA-N	-1	0	355.419	2.676	10	30		FFEERM
Cc1oc(NC(=O)CN(CCC(=O)[O-])Cc2ccccc2)c(C#N)c1C	ZINC000692407047	976448660	/nfs/dbraw/zinc/44/86/60/976448660.db2.gz	CHNBXWQBQDYZHH-UHFFFAOYSA-N	-1	0	355.394	2.684	10	30		FFEERM
Cc1cnn(-c2ccncc2[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1	ZINC000186471352	509725088	/nfs/dbraw/zinc/72/50/88/509725088.db2.gz	IKVHKXREVGASCW-UHFFFAOYSA-N	-1	0	373.825	2.902	10	30		FFEERM
N#Cc1cc(F)cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)c1	ZINC000600983865	520573185	/nfs/dbraw/zinc/57/31/85/520573185.db2.gz	MCBCPYOMGZHVFW-ZWKOTPCHSA-N	-1	0	367.380	2.754	10	30		FFEERM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1	ZINC000122656660	728650100	/nfs/dbraw/zinc/65/01/00/728650100.db2.gz	IYIDDOLLTYRKEA-MGPQQGTHSA-N	-1	0	372.222	2.878	10	30		FFEERM
N#Cc1cc(CC(=O)[O-])c(I)c(OC(F)(F)F)c1	ZINC000575392138	518209427	/nfs/dbraw/zinc/20/94/27/518209427.db2.gz	GZEBDPAJFPVYOB-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
N#Cc1c(Br)c(C(=O)[O-])ccc1I	ZINC000307115173	511766326	/nfs/dbraw/zinc/76/63/26/511766326.db2.gz	VPSPGBWDXWDRTH-UHFFFAOYSA-N	-1	0	351.925	2.624	10	30		FFEERM
N#Cc1cc(CC(=O)[O-])cc(Br)c1I	ZINC000307557935	511767398	/nfs/dbraw/zinc/76/73/98/511767398.db2.gz	LTRHONAKNHJLCO-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1cc(CC(=O)[O-])c(OC(F)(F)F)cc1I	ZINC000575392795	518209994	/nfs/dbraw/zinc/20/99/94/518209994.db2.gz	XBRAGCRZAGPGOJ-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
N#Cc1cc(CC(=O)[O-])c(I)cc1OC(F)(F)F	ZINC000575392822	518210373	/nfs/dbraw/zinc/21/03/73/518210373.db2.gz	ZROLPJNPPAMQRB-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
Cc1nc([N-]c2ncnc(N(CCC#N)CCC#N)c2[N+](=O)[O-])sc1C	ZINC000040618126	211751356	/nfs/dbraw/zinc/75/13/56/211751356.db2.gz	UANCIBNHYLLRNQ-UHFFFAOYSA-N	-1	0	372.414	2.836	10	30		FFEERM
CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1=O	ZINC000048409322	507519563	/nfs/dbraw/zinc/51/95/63/507519563.db2.gz	BQEQOROIPCMHQB-QMMMGPOBSA-N	-1	0	365.238	2.507	10	30		FFEERM
O=C(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000198690247	509228233	/nfs/dbraw/zinc/22/82/33/509228233.db2.gz	NBHYCADEXRWMSP-UHFFFAOYSA-N	-1	0	361.082	2.933	10	30		FFEERM
N#Cc1c(Br)ccc(C(=O)[O-])c1I	ZINC000307414668	511765511	/nfs/dbraw/zinc/76/55/11/511765511.db2.gz	WMGIBQWZFWTBKT-UHFFFAOYSA-N	-1	0	351.925	2.624	10	30		FFEERM
N#Cc1cc(I)c(CC(=O)[O-])c(C(F)(F)F)c1	ZINC000514273046	516926027	/nfs/dbraw/zinc/92/60/27/516926027.db2.gz	QAXUXZZZCHYWBS-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#Cc1cc(CC(=O)[O-])cc(C(F)(F)F)c1I	ZINC000575392965	518210114	/nfs/dbraw/zinc/21/01/14/518210114.db2.gz	RUFSHBLLSCLTQP-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#CCc1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)c1	ZINC000600984849	520573583	/nfs/dbraw/zinc/57/35/83/520573583.db2.gz	YWYCWAFWMCCZPK-RBUKOAKNSA-N	-1	0	363.417	2.809	10	30		FFEERM
Cn1c(=O)sc2cc(/C=C\C(=O)c3cccc(OCC(=O)[O-])c3)ccc21	ZINC000588598936	968070396	/nfs/dbraw/zinc/07/03/96/968070396.db2.gz	CRKGPKWPXFVUPM-VURMDHGXSA-N	-1	0	369.398	2.960	10	30		FFEERM
CC(O)=C1C(=O)C(=O)N(c2ccc(O)c(C(=O)[O-])c2)[C@H]1c1ccccc1	ZINC000020161571	211271294	/nfs/dbraw/zinc/27/12/94/211271294.db2.gz	KZWLUPHNEYCOHA-INIZCTEOSA-N	-1	0	353.330	2.579	10	30		FFEERM
CN1C(=O)/C(=C/c2ccncc2)S/C1=N\c1ccc(C(=O)[O-])c(O)c1	ZINC000016931131	211172325	/nfs/dbraw/zinc/17/23/25/211172325.db2.gz	ZYVXBDXNIARGMZ-QEEYBCOYSA-N	-1	0	355.375	2.719	10	30		FFEERM
Cn1cccc1/C=C1\S/C(=N\c2ccc(C(=O)[O-])c(O)c2)N(C)C1=O	ZINC000016931145	211171409	/nfs/dbraw/zinc/17/14/09/211171409.db2.gz	OMYYBSSCIZLOGU-OHBFYCIKSA-N	-1	0	357.391	2.663	10	30		FFEERM
N#Cc1ccc(I)c(OC(F)(F)F)c1C(=O)[O-]	ZINC000575392196	518209396	/nfs/dbraw/zinc/20/93/96/518209396.db2.gz	IQOABRSDVNJFGJ-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
N#Cc1cc(I)cc(Br)c1CC(=O)[O-]	ZINC000307392147	511765738	/nfs/dbraw/zinc/76/57/38/511765738.db2.gz	XWFNKSFPHZRWOA-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1cc(I)cc(OC(F)(F)F)c1CC(=O)[O-]	ZINC000575392810	518210365	/nfs/dbraw/zinc/21/03/65/518210365.db2.gz	YWLUXWVCOXVLQW-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
N#Cc1ccsc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1	ZINC000600982856	520572514	/nfs/dbraw/zinc/57/25/14/520572514.db2.gz	FFJQWDQDDDKXAD-HUUCEWRRSA-N	-1	0	355.419	2.676	10	30		FFEERM
N#Cc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])N2Cc2ccccc2)cc1F	ZINC000600984439	520574935	/nfs/dbraw/zinc/57/49/35/520574935.db2.gz	RAOCDWZCXIUNTR-MSOLQXFVSA-N	-1	0	367.380	2.754	10	30		FFEERM
COCCn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1C(=O)[O-]	ZINC000757137394	736395370	/nfs/dbraw/zinc/39/53/70/736395370.db2.gz	JXYCTJLGBXRJLJ-UHFFFAOYSA-N	-1	0	356.169	2.901	10	30		FFEERM
N#Cc1ccc(C2(C(=O)[N-]S(=O)(=O)/C=C\c3ccccc3)CC2)cc1	ZINC000588538956	845977892	/nfs/dbraw/zinc/97/78/92/845977892.db2.gz	HKAIKQBUJKZPTE-RAXLEYEMSA-N	-1	0	352.415	2.707	10	30		FFEERM
N#C[C@@H](c1ccc(Cl)cc1)c1ccc(-n2ncc(=O)[n-]c2=O)cc1Cl	ZINC000001853032	210372650	/nfs/dbraw/zinc/37/26/50/210372650.db2.gz	QUUTUGLQZLNABV-AWEZNQCLSA-N	-1	0	373.199	2.883	10	30	in-man	FFEERM
N#Cc1cc(C(F)(F)F)cc(CC(=O)[O-])c1I	ZINC000575392240	518209293	/nfs/dbraw/zinc/20/92/93/518209293.db2.gz	FTCMSXOVEDUUKR-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#Cc1c(I)ccc(C(F)(F)F)c1CC(=O)[O-]	ZINC000514273039	516925750	/nfs/dbraw/zinc/92/57/50/516925750.db2.gz	PHZGONHABLEBKE-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#Cc1ccc(CC(=O)[O-])c(C(F)(F)F)c1I	ZINC000514276010	516925961	/nfs/dbraw/zinc/92/59/61/516925961.db2.gz	PGKXULCYTAKUBC-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#Cc1cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)ccc1F	ZINC000600984586	520575145	/nfs/dbraw/zinc/57/51/45/520575145.db2.gz	RTTSXKWKGKSNNG-QZTJIDSGSA-N	-1	0	367.380	2.754	10	30		FFEERM
N#Cc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000172666795	729030331	/nfs/dbraw/zinc/03/03/31/729030331.db2.gz	LVOFACUQLPATHI-UHFFFAOYSA-N	-1	0	371.237	2.501	10	30		FFEERM
N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3ncon3)c2)c(F)c1	ZINC000129707013	508756798	/nfs/dbraw/zinc/75/67/98/508756798.db2.gz	MPFFUECZBHZLII-UHFFFAOYSA-N	-1	0	362.317	2.687	10	30		FFEERM
N#Cc1c(C(=O)[O-])ccc(I)c1OC(F)(F)F	ZINC000575392779	518210043	/nfs/dbraw/zinc/21/00/43/518210043.db2.gz	WHHVUJVUPWKFIH-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
C=CC[C@H](C(=O)[O-])[C@@H](NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C	ZINC000256002630	210217273	/nfs/dbraw/zinc/21/72/73/210217273.db2.gz	SXDKIZPHXVFDPJ-LSDHHAIUSA-N	-1	0	363.410	2.900	10	30		FFEERM
N#Cc1ccc(CSc2nc3ccccc3c(=O)n2CC(=O)[O-])cc1	ZINC000013222517	220060907	/nfs/dbraw/zinc/06/09/07/220060907.db2.gz	JWZQNTLRYRDARH-UHFFFAOYSA-N	-1	0	351.387	2.645	10	30		FFEERM
N#Cc1ccc(OCC(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)cc1	ZINC000013185795	249319117	/nfs/dbraw/zinc/31/91/17/249319117.db2.gz	MTJZEPGCHDLHBV-UHFFFAOYSA-N	-1	0	364.401	2.582	10	30		FFEERM
N#Cc1ccc(OC(F)(F)F)c(I)c1CC(=O)[O-]	ZINC000575392125	518209311	/nfs/dbraw/zinc/20/93/11/518209311.db2.gz	FYBBAIRKSKJEDU-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
N#CCCCN1CC[C@H](c2ccc(F)cc2)[C@H]([N-]C(=O)C(F)(F)F)C1	ZINC000245552381	510002781	/nfs/dbraw/zinc/00/27/81/510002781.db2.gz	QJQLXDOBVIUATE-HUUCEWRRSA-N	-1	0	357.351	2.966	10	30		FFEERM
N#Cc1ccc(CC(=O)[O-])c(Br)c1I	ZINC000307648406	511767448	/nfs/dbraw/zinc/76/74/48/511767448.db2.gz	GNFPFCYMAQHKSZ-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1ccc(C(=O)[O-])c(OC(F)(F)F)c1I	ZINC000514272384	516925697	/nfs/dbraw/zinc/92/56/97/516925697.db2.gz	VNBPXRMMWMIORB-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
N#Cc1c(I)cc(C(=O)[O-])cc1OC(F)(F)F	ZINC000514272141	516925826	/nfs/dbraw/zinc/92/58/26/516925826.db2.gz	DPPUAMAKKROFGY-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
N#Cc1cc(CC(=O)[O-])cc(I)c1C(F)(F)F	ZINC000575393077	518210193	/nfs/dbraw/zinc/21/01/93/518210193.db2.gz	YGKRXTCYPQPDRJ-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
O=C([O-])C[C@@H]1S/C(=N/N=C(/Cc2ccccc2)c2ccccc2)NC1=O	ZINC000020509757	527631191	/nfs/dbraw/zinc/63/11/91/527631191.db2.gz	LCCSXMWQNABTMU-NOEYKIMYSA-N	-1	0	367.430	2.696	10	30		FFEERM
CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3cc[nH]c32)cc1	ZINC000076756022	728265949	/nfs/dbraw/zinc/26/59/49/728265949.db2.gz	OGNUURXHSUYAIP-UHFFFAOYSA-N	-1	0	357.391	2.820	10	30		FFEERM
C[C@@H]1C[C@@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c([O-])cc(O)c2C(=O)O1	ZINC000013515668	220070565	/nfs/dbraw/zinc/07/05/65/220070565.db2.gz	WYZWZEOGROVVHK-HBUVGVEXSA-N	-1	0	364.781	2.692	10	30		FFEERM
N#Cc1cc(I)c(OC(F)(F)F)c(CC(=O)[O-])c1	ZINC000575392109	518209354	/nfs/dbraw/zinc/20/93/54/518209354.db2.gz	DRVBGUAALVXRKE-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
N#Cc1cc(I)cc(CC(=O)[O-])c1C(F)(F)F	ZINC000575392199	518209595	/nfs/dbraw/zinc/20/95/95/518209595.db2.gz	DJUHKYVGUOKVMD-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
C[C@H](C#N)NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000068762900	507316716	/nfs/dbraw/zinc/31/67/16/507316716.db2.gz	WYLCIIDCYRZQGN-LLVKDONJSA-N	-1	0	363.826	2.783	10	30		FFEERM
CC[C@@H](C#N)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000102350532	508272826	/nfs/dbraw/zinc/27/28/26/508272826.db2.gz	CBUISJURDJNFDA-ZDUSSCGKSA-N	-1	0	361.398	2.658	10	30		FFEERM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCC(=O)N2	ZINC000132570156	509046331	/nfs/dbraw/zinc/04/63/31/509046331.db2.gz	JAOKMIAMLZYDLU-UHFFFAOYSA-N	-1	0	359.382	2.773	10	30		FFEERM
N#Cc1ccc(I)c(CC(=O)[O-])c1Br	ZINC000306576732	511764778	/nfs/dbraw/zinc/76/47/78/511764778.db2.gz	KRGWROHXYFIIRO-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
Cc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)s1	ZINC000107023247	728514680	/nfs/dbraw/zinc/51/46/80/728514680.db2.gz	LCQOJIFAJARABB-UHFFFAOYSA-N	-1	0	354.840	2.629	10	30		FFEERM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1	ZINC000123146619	728655747	/nfs/dbraw/zinc/65/57/47/728655747.db2.gz	JATIMCVBCAYIAA-MGPQQGTHSA-N	-1	0	372.222	2.878	10	30		FFEERM
Cc1ccc2[nH]c3nc(N=NCc4ccc([O-])c([N+](=O)[O-])c4)nnc3c2c1	ZINC000064981214	221161629	/nfs/dbraw/zinc/16/16/29/221161629.db2.gz	PVRCUHGRBPFVPZ-QGMBQPNBSA-N	-1	0	363.337	2.874	10	30		FFEERM
C#CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000006798447	132371370	/nfs/dbraw/zinc/37/13/70/132371370.db2.gz	BDZSDWZWYHHJJE-AQTBWJFISA-N	-1	0	360.369	2.673	10	30		FFEERM
CO[C@]12CCCC[C@@H]1[C@]1(C#N)C(=O)[N-]C(=O)[C@]1(C#N)[C@H](c1ccccc1)O2	ZINC000096336635	222116645	/nfs/dbraw/zinc/11/66/45/222116645.db2.gz	RXKWPBOLXNAFEQ-LEEVSCAKSA-N	-1	0	365.389	2.807	10	30		FFEERM
N#Cc1ccc(CC(=O)[O-])c(I)c1OC(F)(F)F	ZINC000575392549	518209415	/nfs/dbraw/zinc/20/94/15/518209415.db2.gz	PRNPNUMKNBLTEH-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
N#Cc1c(Br)c(I)ccc1C(=O)[O-]	ZINC000306823248	511764441	/nfs/dbraw/zinc/76/44/41/511764441.db2.gz	POXXAYUFJRNFNG-UHFFFAOYSA-N	-1	0	351.925	2.624	10	30		FFEERM
N#Cc1c(I)c(Br)ccc1CC(=O)[O-]	ZINC000307273144	511765396	/nfs/dbraw/zinc/76/53/96/511765396.db2.gz	HPMVNZZVNYKLAI-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1c(I)ccc(CC(=O)[O-])c1Br	ZINC000307265229	511766087	/nfs/dbraw/zinc/76/60/87/511766087.db2.gz	DCRXQDKQMYSMEM-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1cc(Br)cc(I)c1CC(=O)[O-]	ZINC000307630416	511767729	/nfs/dbraw/zinc/76/77/29/511767729.db2.gz	WNCAHYVAXNLVTI-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
N#Cc1cc(I)c(OC(F)(F)F)c(C(=O)[O-])c1	ZINC000575392803	518210144	/nfs/dbraw/zinc/21/01/44/518210144.db2.gz	XVTLWQGMMHFRJZ-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
N#Cc1ccsc1C(=O)[N-]S(=O)(=O)c1ccccc1Br	ZINC000172667383	729030308	/nfs/dbraw/zinc/03/03/08/729030308.db2.gz	NFYZBBTTWGRASC-UHFFFAOYSA-N	-1	0	371.237	2.501	10	30		FFEERM
N#Cc1c(CC(=O)[O-])ccc(OC(F)(F)F)c1I	ZINC000514276387	516925892	/nfs/dbraw/zinc/92/58/92/516925892.db2.gz	PJQSIAPPGSFUPC-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
N#Cc1c(I)cc(CC(=O)[O-])cc1C(F)(F)F	ZINC000514274773	516925981	/nfs/dbraw/zinc/92/59/81/516925981.db2.gz	MSURRERBVKVVGT-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#Cc1c(C(F)(F)F)ccc(I)c1CC(=O)[O-]	ZINC000575393091	518209892	/nfs/dbraw/zinc/20/98/92/518209892.db2.gz	YSDSJOKJQQHLSL-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#Cc1cc(F)cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])N2Cc2ccccc2)c1	ZINC000600983861	520571906	/nfs/dbraw/zinc/57/19/06/520571906.db2.gz	MCBCPYOMGZHVFW-MSOLQXFVSA-N	-1	0	367.380	2.754	10	30		FFEERM
CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)c2sccc2C#N)c1	ZINC000163463969	728958145	/nfs/dbraw/zinc/95/81/45/728958145.db2.gz	JGNNPGJLDIPPPN-UHFFFAOYSA-N	-1	0	368.823	2.594	10	30		FFEERM
CC[C@@H](C#N)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000123923972	508758629	/nfs/dbraw/zinc/75/86/29/508758629.db2.gz	DLYLRUFGONPVHP-AWEZNQCLSA-N	-1	0	357.435	2.828	10	30		FFEERM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccn2)c1	ZINC000186453135	509715423	/nfs/dbraw/zinc/71/54/23/509715423.db2.gz	FOSATQPYILGBAQ-UHFFFAOYSA-N	-1	0	359.798	2.798	10	30		FFEERM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCOc3ccccc32)c(F)c1	ZINC000177118734	509883968	/nfs/dbraw/zinc/88/39/68/509883968.db2.gz	DWSSGXLLDIOEMY-AWEZNQCLSA-N	-1	0	350.346	2.639	10	30		FFEERM
N#Cc1cc(I)c(C(F)(F)F)cc1CC(=O)[O-]	ZINC000514274843	516925872	/nfs/dbraw/zinc/92/58/72/516925872.db2.gz	SNNBGMBEIWNNED-UHFFFAOYSA-N	-1	0	355.053	2.809	10	30		FFEERM
N#Cc1ccc(CC(=O)[O-])c(OC(F)(F)F)c1I	ZINC000575392069	518208910	/nfs/dbraw/zinc/20/89/10/518208910.db2.gz	AOGBHGFJJOWOCK-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
N#Cc1c(OC(F)(F)F)ccc(I)c1CC(=O)[O-]	ZINC000575392799	518210297	/nfs/dbraw/zinc/21/02/97/518210297.db2.gz	XJFOMWWVMRSDOO-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
C=CCOc1cccc(-c2nnc(CCC(=O)NCCC(C)C)c(=O)[n-]2)c1	ZINC000034764689	519052021	/nfs/dbraw/zinc/05/20/21/519052021.db2.gz	CRYVJOJCIZVBJV-UHFFFAOYSA-N	-1	0	370.453	2.904	10	30		FFEERM
C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1	ZINC000630659125	523011919	/nfs/dbraw/zinc/01/19/19/523011919.db2.gz	WDECMJGRJPSOKY-LSDHHAIUSA-N	-1	0	370.371	2.681	10	30		FFEERM
N#Cc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1	ZINC000158642887	728891819	/nfs/dbraw/zinc/89/18/19/728891819.db2.gz	CKASLLLKFSZRBX-UHFFFAOYSA-N	-1	0	360.338	2.757	10	30		FFEERM
O=C1[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCN1Cc1ccc(F)cc1	ZINC000588577999	967567825	/nfs/dbraw/zinc/56/78/25/967567825.db2.gz	LVAGPEUKFJYPIR-OBLBUWMUSA-N	-1	0	357.341	2.660	10	30		FFEERM
N#Cc1c(OC(F)(F)F)ccc(I)c1C(=O)[O-]	ZINC000575392503	518209419	/nfs/dbraw/zinc/20/94/19/518209419.db2.gz	NCDAWKFDJAKWCV-UHFFFAOYSA-N	-1	0	357.025	2.760	10	30		FFEERM
N#Cc1cc(CC(=O)[O-])cc(OC(F)(F)F)c1I	ZINC000575392208	518209459	/nfs/dbraw/zinc/20/94/59/518209459.db2.gz	ITJUMHSJRYQMSV-UHFFFAOYSA-N	-1	0	371.052	2.689	10	30		FFEERM
N#Cc1c(Br)cc(CC(=O)[O-])cc1I	ZINC000307325944	511766404	/nfs/dbraw/zinc/76/64/04/511766404.db2.gz	GZDIXHDMWZCHMR-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
C[C@@H](NC(=O)c1ccco1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000064696807	728152268	/nfs/dbraw/zinc/15/22/68/728152268.db2.gz	IUFCHGGPVMIAJV-MRVPVSSYSA-N	-1	0	374.777	2.536	10	30		FFEERM
Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1	ZINC000107022842	728514498	/nfs/dbraw/zinc/51/44/98/728514498.db2.gz	OJBXBNDJMZQNIT-UHFFFAOYSA-N	-1	0	362.838	2.958	10	30		FFEERM
C[C@H](C#N)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000125623891	728685592	/nfs/dbraw/zinc/68/55/92/728685592.db2.gz	YDDXCEZLDHVMSI-LLVKDONJSA-N	-1	0	363.826	2.783	10	30		FFEERM
Cc1cccc(NC(=O)C([O-])=C(c2cnc3ccccc3n2)[N+](=O)[O-])c1C	ZINC000106116777	508395732	/nfs/dbraw/zinc/39/57/32/508395732.db2.gz	SLUBTLDDYRRZIA-KRWDZBQOSA-N	-1	0	364.361	2.772	10	30		FFEERM
C[C@@H](COCc1ccccc1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000177153493	509905356	/nfs/dbraw/zinc/90/53/56/509905356.db2.gz	ZPLNIPGRNWECCD-LBPRGKRZSA-N	-1	0	366.389	2.720	10	30		FFEERM
N#Cc1cc(CC(=O)[O-])cc(I)c1Br	ZINC000307530018	511767591	/nfs/dbraw/zinc/76/75/91/511767591.db2.gz	MOKPNDKOJXXNNQ-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
C=CC[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])N2Cc2ccccc2)C1	ZINC000630667802	523024796	/nfs/dbraw/zinc/02/47/96/523024796.db2.gz	VMKJCFUQJYDVKA-BHIYHBOVSA-N	-1	0	356.466	2.919	10	30		FFEERM
CCCCS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC	ZINC000048552129	728053838	/nfs/dbraw/zinc/05/38/38/728053838.db2.gz	GZDYKMXFOFPCEC-ZFWWWQNUSA-N	-1	0	354.472	2.918	10	30		FFEERM
CC(C)CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1)C(C)C	ZINC000048568730	728054470	/nfs/dbraw/zinc/05/44/70/728054470.db2.gz	SDONWYAUMNHVLR-INIZCTEOSA-N	-1	0	372.462	2.799	10	30		FFEERM
CC1CCN(c2nc(-c3ccc(Br)o3)c(C#N)c(=O)[n-]2)CC1	ZINC000223967920	729547635	/nfs/dbraw/zinc/54/76/35/729547635.db2.gz	XYGACFGBMHPHJW-UHFFFAOYSA-N	-1	0	363.215	2.900	10	30		FFEERM
C[C@@H]1C[C@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c([O-])cc(O)c2C(=O)O1	ZINC000100152234	222237357	/nfs/dbraw/zinc/23/73/57/222237357.db2.gz	WYZWZEOGROVVHK-JYDJJRTFSA-N	-1	0	364.781	2.692	10	30		FFEERM
C[C@H]1C[C@@H]2O[C@H]2C=CC=CC(=O)Cc2c(Cl)c([O-])cc(O)c2C(=O)O1	ZINC000005492966	506446446	/nfs/dbraw/zinc/44/64/46/506446446.db2.gz	WYZWZEOGROVVHK-AVVHLROMSA-N	-1	0	364.781	2.692	10	30		FFEERM
N#Cc1cc(Br)cc(CC(=O)[O-])c1I	ZINC000306819306	511763788	/nfs/dbraw/zinc/76/37/88/511763788.db2.gz	LASXKENQRGBSPZ-UHFFFAOYSA-N	-1	0	365.952	2.552	10	30		FFEERM
C=CCN(CC(F)(F)F)C(=O)[C@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1	ZINC000630659124	523012675	/nfs/dbraw/zinc/01/26/75/523012675.db2.gz	WDECMJGRJPSOKY-HUUCEWRRSA-N	-1	0	370.371	2.681	10	30		FFEERM
Cc1cccc(NC(=O)C([O-])=C(c2cnc3ccccc3n2)[N+](=O)[O-])c1C	ZINC000106116775	508395803	/nfs/dbraw/zinc/39/58/03/508395803.db2.gz	SLUBTLDDYRRZIA-QGZVFWFLSA-N	-1	0	364.361	2.772	10	30		FFEERM
CCN1CCc2nc([N-]S(=O)(=O)c3ccc(C#N)cc3C)sc2C1	ZINC000172674783	510841597	/nfs/dbraw/zinc/84/15/97/510841597.db2.gz	CETNUKLEDFCWSM-UHFFFAOYSA-N	-1	0	362.480	2.502	10	30		FFEERM
N#Cc1ccc(Br)c(C(=O)[O-])c1I	ZINC000307031063	511766235	/nfs/dbraw/zinc/76/62/35/511766235.db2.gz	ORYWETAOSCNGOL-UHFFFAOYSA-N	-1	0	351.925	2.624	10	30		FFEERM