smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1	ZINC000225082553	206469110	/nfs/dbraw/zinc/46/91/10/206469110.db2.gz	IEFSPDUASQJZEF-UHFFFAOYSA-N	-1	1	366.345	2.419	40	0		FEABMM
O=C(c1cnc(-c2ccccc2)[n-]c1=O)N1CCN(Cc2ccccc2)CC1	ZINC000019937283	526869714	/nfs/dbraw/zinc/86/97/14/526869714.db2.gz	LGMPTKUXVZNBAE-UHFFFAOYSA-N	-1	1	374.444	2.395	40	0		FEABMM
Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)C(=O)[O-])cc1	ZINC000242701871	548886570	/nfs/dbraw/zinc/88/65/70/548886570.db2.gz	WOPXPTNWOGZEJA-VYDXJSESSA-N	-1	1	365.838	2.370	40	0		FEABMM
C[C@]1(C(N)=O)CN(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CCO1	ZINC000257303524	549726742	/nfs/dbraw/zinc/72/67/42/549726742.db2.gz	SHOUXEGEYGXHQX-HXUWFJFHSA-N	-1	1	354.406	2.128	40	0		FEABMM
CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1	ZINC000408603446	558688038	/nfs/dbraw/zinc/68/80/38/558688038.db2.gz	JZBMRJYVEZBEER-GFCCVEGCSA-N	-1	1	364.423	2.009	40	0		FEABMM
CCCn1ccnc1CN1CCCC[C@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000585182025	571238309	/nfs/dbraw/zinc/23/83/09/571238309.db2.gz	FUPQGNBCMOVUBZ-ZDUSSCGKSA-N	-1	1	351.476	2.147	40	0		FEABMM
CCCn1ccnc1CN1CCCC[C@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000585182025	571238311	/nfs/dbraw/zinc/23/83/11/571238311.db2.gz	FUPQGNBCMOVUBZ-ZDUSSCGKSA-N	-1	1	351.476	2.147	40	0		FEABMM
CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)C3CCCC3)[n-]c(=O)c2C1	ZINC000019018056	539650669	/nfs/dbraw/zinc/65/06/69/539650669.db2.gz	NJSRYXQEVMFZEB-KRWDZBQOSA-N	-1	1	372.469	2.331	40	0		FEABMM
CCCc1cc(=O)[n-]c(SCc2ccc(C(=O)N3CCOCC3)cc2)n1	ZINC000005488495	206229274	/nfs/dbraw/zinc/22/92/74/206229274.db2.gz	SXFCYCJQGABTTK-UHFFFAOYSA-N	-1	1	373.478	2.487	40	0		FEABMM
N[C@@]1(C(=O)[O-])[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218665976	206373098	/nfs/dbraw/zinc/37/30/98/206373098.db2.gz	NRGBSPNZFPBLLU-YCPHGPKFSA-N	-1	1	369.801	2.201	40	0		FEABMM
COc1ccc([C@@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)C)cc1	ZINC000095101351	542956765	/nfs/dbraw/zinc/95/67/65/542956765.db2.gz	HVZJRELUYWVPSK-IDHHARJASA-N	-1	1	360.410	2.131	40	0		FEABMM
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@]2(N)C(=O)[O-])cc1	ZINC000242547711	548886423	/nfs/dbraw/zinc/88/64/23/548886423.db2.gz	KTHITLFOFMQOCQ-ZMSDIMECSA-N	-1	1	365.838	2.370	40	0		FEABMM
N[C@@]1(C(=O)[O-])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1	ZINC000252513867	549672036	/nfs/dbraw/zinc/67/20/36/549672036.db2.gz	AMKRFJXITVXSSX-IIAWOOMASA-N	-1	1	351.811	2.062	40	0		FEABMM
CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3ncccc3[O-])CC[C@H]21	ZINC000257244531	549720617	/nfs/dbraw/zinc/72/06/17/549720617.db2.gz	ILTVYIPFFIIZBK-KZNAEPCWSA-N	-1	1	365.433	2.264	40	0		FEABMM
CC(C)(C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccc2c(c1)OCCO2	ZINC000578888631	571281318	/nfs/dbraw/zinc/28/13/18/571281318.db2.gz	IPFBFIWPLZGHQV-LBPRGKRZSA-N	-1	1	373.409	2.230	40	0		FEABMM
COCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C	ZINC000010368064	539516134	/nfs/dbraw/zinc/51/61/34/539516134.db2.gz	FYXUFQGQQSJEKH-UHFFFAOYSA-N	-1	1	362.451	2.480	40	0		FEABMM
O=C(c1cccnc1)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1	ZINC000013266143	539584833	/nfs/dbraw/zinc/58/48/33/539584833.db2.gz	DCVXHTHAGAEMBR-UHFFFAOYSA-N	-1	1	362.393	2.054	40	0		FEABMM
CCN(CC)c1ccc([C@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@@H]2C(=O)OC)cc1	ZINC000004625858	204151922	/nfs/dbraw/zinc/15/19/22/204151922.db2.gz	SZAQZCQNBDHKDQ-KNBMTAEXSA-N	-1	1	373.453	2.190	40	0		FEABMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)cc1OC)CC(=O)N2	ZINC000004944432	206185183	/nfs/dbraw/zinc/18/51/83/206185183.db2.gz	KTBHVXMSJGTWGC-LLVKDONJSA-N	-1	1	361.423	2.373	40	0		FEABMM
Cc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)s2)s1	ZINC000006679606	206204163	/nfs/dbraw/zinc/20/41/63/206204163.db2.gz	UMUWDWRDCAFYAC-UHFFFAOYSA-N	-1	1	372.497	2.253	40	0		FEABMM
COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1N1C(=O)CCC1=O	ZINC000224770370	206463885	/nfs/dbraw/zinc/46/38/85/206463885.db2.gz	ZMTKQLFZLHPBAF-UHFFFAOYSA-N	-1	1	360.391	2.149	40	0		FEABMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1N1C(=O)CCC1=O	ZINC000223517960	548720478	/nfs/dbraw/zinc/72/04/78/548720478.db2.gz	KCAGPMULOYWGKP-UHFFFAOYSA-N	-1	1	374.418	2.458	40	0		FEABMM
CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(N(C)C)cc2)c2c([n-][nH]c2=O)C[C@]1(C)O	ZINC000252587384	549674993	/nfs/dbraw/zinc/67/49/93/549674993.db2.gz	XUDVSBBARMDEJE-KNBMTAEXSA-N	-1	1	373.453	2.188	40	0		FEABMM
COc1ccc([N-]S(=O)(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1	ZINC000408723055	558689361	/nfs/dbraw/zinc/68/93/61/558689361.db2.gz	ZDTKZFQSQYQERP-UHFFFAOYSA-N	-1	1	360.391	2.149	40	0		FEABMM
CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)C3CCCC3)[n-]c(=O)c2C1	ZINC000019018058	539650487	/nfs/dbraw/zinc/65/04/87/539650487.db2.gz	NJSRYXQEVMFZEB-QGZVFWFLSA-N	-1	1	372.469	2.331	40	0		FEABMM
CC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1cccs1)CC2	ZINC000019017171	539650833	/nfs/dbraw/zinc/65/08/33/539650833.db2.gz	NTQXRVGJCZKFLA-CQSZACIVSA-N	-1	1	372.450	2.126	40	0		FEABMM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1	ZINC000028195575	204875277	/nfs/dbraw/zinc/87/52/77/204875277.db2.gz	VIMUAMHMCFHLEA-UHFFFAOYSA-N	-1	1	363.391	2.354	40	0		FEABMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC)cc1OC)CC(=O)N2	ZINC000004944433	206185573	/nfs/dbraw/zinc/18/55/73/206185573.db2.gz	KTBHVXMSJGTWGC-NSHDSACASA-N	-1	1	361.423	2.373	40	0		FEABMM
N[C@]1(C(=O)[O-])[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218666724	206372992	/nfs/dbraw/zinc/37/29/92/206372992.db2.gz	QYYFDYJFNAXTSX-OFQRWUPVSA-N	-1	1	369.801	2.201	40	0		FEABMM
CC(C)(C)c1nc(CN2CCN(C(=O)c3ncccc3[O-])CC2)cs1	ZINC000171257075	327128238	/nfs/dbraw/zinc/12/82/38/327128238.db2.gz	AWCPFPUICLMLKI-UHFFFAOYSA-N	-1	1	360.483	2.499	40	0		FEABMM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1	ZINC000223275910	548718647	/nfs/dbraw/zinc/71/86/47/548718647.db2.gz	LPVOYUXWBGXLHU-UHFFFAOYSA-N	-1	1	354.815	2.266	40	0		FEABMM
COCc1cccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1	ZINC000225090656	548730051	/nfs/dbraw/zinc/73/00/51/548730051.db2.gz	JTIVLFQTRDTGHD-UHFFFAOYSA-N	-1	1	374.418	2.287	40	0		FEABMM
N[C@@]1(C(=O)[O-])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000225665070	548740313	/nfs/dbraw/zinc/74/03/13/548740313.db2.gz	JOUCWNPHJYAEHM-YCPHGPKFSA-N	-1	1	351.811	2.062	40	0		FEABMM
COc1cccc([C@@H]2c3c([n-][nH]c3=O)C[C@](C)(O)[C@H]2C(=O)OC(C)C)c1	ZINC000230217419	548759379	/nfs/dbraw/zinc/75/93/79/548759379.db2.gz	IXQNTJCICKWGPJ-OGWOLHLISA-N	-1	1	360.410	2.131	40	0		FEABMM
COc1cc(OC)c(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])c(OC)c1	ZINC000006588205	539430538	/nfs/dbraw/zinc/43/05/38/539430538.db2.gz	NRSBPYWMAYJGOU-QPEQYQDCSA-N	-1	1	351.384	2.357	40	0		FEABMM
COc1cc(OC)c(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])c(OC)c1	ZINC000006588205	539430540	/nfs/dbraw/zinc/43/05/40/539430540.db2.gz	NRSBPYWMAYJGOU-QPEQYQDCSA-N	-1	1	351.384	2.357	40	0		FEABMM
Cc1ccc(CC(=O)N2CCc3c(nc(-c4cnccn4)[n-]c3=O)C2)cc1	ZINC000013227051	539585092	/nfs/dbraw/zinc/58/50/92/539585092.db2.gz	JVWSXUZGLYQKSE-UHFFFAOYSA-N	-1	1	361.405	2.075	40	0		FEABMM
O=C(c1ccncc1)N1CCC[C@@H](c2cc(=O)[n-]c(-c3cnccn3)n2)C1	ZINC000013268184	539585696	/nfs/dbraw/zinc/58/56/96/539585696.db2.gz	HGGZGFQQJKAWMT-CQSZACIVSA-N	-1	1	362.393	2.054	40	0		FEABMM
O=C(c1ccccn1)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1	ZINC000013267767	539586113	/nfs/dbraw/zinc/58/61/13/539586113.db2.gz	BRWXRALYMMJZTI-UHFFFAOYSA-N	-1	1	362.393	2.054	40	0		FEABMM
Cc1cnc(-c2nc3c(c(=O)[n-]2)CN(Cc2ccc(F)c(F)c2)CC3)cn1	ZINC000019239070	539653050	/nfs/dbraw/zinc/65/30/50/539653050.db2.gz	YHTGQSVQEKPOAK-UHFFFAOYSA-N	-1	1	369.375	2.372	40	0		FEABMM
O=C(NCc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccc2ncccc2c1	ZINC000019402957	539657162	/nfs/dbraw/zinc/65/71/62/539657162.db2.gz	UWQQJVSFCRZRMY-UHFFFAOYSA-N	-1	1	357.373	2.310	40	0		FEABMM
COc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc(OC)c1OC	ZINC000033331429	539974129	/nfs/dbraw/zinc/97/41/29/539974129.db2.gz	QUGQBWRIIPLVNZ-GHXNOFRVSA-N	-1	1	351.384	2.357	40	0		FEABMM
COc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc(OC)c1OC	ZINC000033331429	539974132	/nfs/dbraw/zinc/97/41/32/539974132.db2.gz	QUGQBWRIIPLVNZ-GHXNOFRVSA-N	-1	1	351.384	2.357	40	0		FEABMM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1	ZINC000223272241	548718524	/nfs/dbraw/zinc/71/85/24/548718524.db2.gz	SRFVIPCVMIWOGT-UHFFFAOYSA-N	-1	1	361.423	2.429	40	0		FEABMM
Cc1cc(=O)[n-]c([C@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)CCO2)n1	ZINC000257212060	549718696	/nfs/dbraw/zinc/71/86/96/549718696.db2.gz	CBTFXPWLLFFLSX-QGZVFWFLSA-N	-1	1	353.422	2.122	40	0		FEABMM
O=C(c1ccccn1)N1CCC(c2cc(=O)[n-]c(-c3ccccn3)n2)CC1	ZINC000019402900	539656957	/nfs/dbraw/zinc/65/69/57/539656957.db2.gz	ANSFLPVFSMLGKA-UHFFFAOYSA-N	-1	1	361.405	2.247	40	0		FEABMM
COc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CCC3)c(OC)c1	ZINC000032521336	539942561	/nfs/dbraw/zinc/94/25/61/539942561.db2.gz	CCWBOQOIPJXIJT-UHFFFAOYSA-N	-1	1	361.423	2.007	40	0		FEABMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc3c(c1)OCO3)CC(=O)N2	ZINC000004944453	206185376	/nfs/dbraw/zinc/18/53/76/206185376.db2.gz	BMMLLGBGEXRBOH-JTQLQIEISA-N	-1	1	359.407	2.475	40	0		FEABMM
CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1	ZINC000223291584	548717798	/nfs/dbraw/zinc/71/77/98/548717798.db2.gz	RQIJWQZXCBOZRZ-LFYBBSHMSA-N	-1	1	373.434	2.205	40	0		FEABMM
Cc1ccn2cc(C(=O)N[C@H](C)c3cc(=O)[n-]c(-c4ccccn4)n3)nc2c1	ZINC000019238185	539653653	/nfs/dbraw/zinc/65/36/53/539653653.db2.gz	UJBMQHFYNQZJSP-CYBMUJFWSA-N	-1	1	374.404	2.279	40	0		FEABMM
Cc1nc2nc(N3CCOCC3)[n-]c(=O)c2c(=S)n1-c1ccccc1	ZINC000040386851	136119738	/nfs/dbraw/zinc/11/97/38/136119738.db2.gz	ILNPZZDLKIXAHO-UHFFFAOYSA-N	-1	1	355.423	2.396	40	0		FEABMM
O=C([O-])C1(c2ccccc2)CCN(CC(=O)NCc2ccccc2)CC1	ZINC000327959229	553792405	/nfs/dbraw/zinc/79/24/05/553792405.db2.gz	AQTWDVVSISKOJZ-UHFFFAOYSA-N	-1	1	352.434	2.421	40	0		FEABMM
O=C(CCc1ccccc1)N1CCc2c(=O)[n-]c(-c3cnccn3)nc2C1	ZINC000012258145	539552120	/nfs/dbraw/zinc/55/21/20/539552120.db2.gz	OMPNMVFAQOADOO-UHFFFAOYSA-N	-1	1	361.405	2.157	40	0		FEABMM
COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000015272713	539614220	/nfs/dbraw/zinc/61/42/20/539614220.db2.gz	FCJBIWHCGDHWFA-UHFFFAOYSA-N	-1	1	352.387	2.003	40	0		FEABMM
CCc1cc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)on1	ZINC000072390317	541803915	/nfs/dbraw/zinc/80/39/15/541803915.db2.gz	BJDARHMTVNRAMB-UHFFFAOYSA-N	-1	1	358.803	2.140	40	0		FEABMM
CCc1nnc([N-]C(=O)c2cc(S(=O)(=O)N(C)CC)cs2)s1	ZINC000006680332	206203552	/nfs/dbraw/zinc/20/35/52/206203552.db2.gz	YOXLKIRZTZPBIP-UHFFFAOYSA-N	-1	1	360.486	2.055	40	0		FEABMM
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(N)C(=O)[O-])cc1	ZINC000218594606	206372680	/nfs/dbraw/zinc/37/26/80/206372680.db2.gz	TXHSFSZKJDXHRF-VYDXJSESSA-N	-1	1	365.838	2.370	40	0		FEABMM
Cc1oc2c(c1C(=O)N1CCO[C@@H](c3nc(C)cc(=O)[n-]3)C1)CCCC2	ZINC000257228175	549719977	/nfs/dbraw/zinc/71/99/77/549719977.db2.gz	FSQWJKKLVCIEPE-OAHLLOKOSA-N	-1	1	357.410	2.485	40	0		FEABMM
O=C([O-])CC[C@H](c1ccccc1)N1CCN(C(=O)c2cccnc2)CC1	ZINC000408612486	558688170	/nfs/dbraw/zinc/68/81/70/558688170.db2.gz	WDZUWQUBOSETJJ-GOSISDBHSA-N	-1	1	353.422	2.446	40	0		FEABMM
COc1cccc(/C=C2/NC(=O)NC2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000409060248	570717182	/nfs/dbraw/zinc/71/71/82/570717182.db2.gz	YQVDWJREEGSTEL-NTEUORMPSA-N	-1	1	368.345	2.153	40	0		FEABMM
Cc1nnc(SC(=Cc2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)[O-])o1	ZINC000211547182	571307606	/nfs/dbraw/zinc/30/76/06/571307606.db2.gz	WEYCGQIFEDLIHK-OXBCTQFSSA-N	-1	1	358.379	2.478	40	0		FEABMM
CCN(CC)c1ccc(NC(=O)CSc2nc(N)cc(=O)[n-]2)c(C)c1	ZINC000005009034	539399198	/nfs/dbraw/zinc/39/91/98/539399198.db2.gz	YJXIQBUQTNPLDY-UHFFFAOYSA-N	-1	1	361.471	2.238	40	0		FEABMM
O=C([O-])C[C@@H]1CCN(C(=O)C2CCCCC2)C[C@@H]1CCN1CCOCC1	ZINC000012481179	539562338	/nfs/dbraw/zinc/56/23/38/539562338.db2.gz	QWQNUWGVAFYQAI-ROUUACIJSA-N	-1	1	366.502	2.228	40	0	biogenic,in-vitro	FEABMM
CCc1ccc(C(=O)N2CCc3nc(N4CCCC4)[n-]c(=O)c3C2)cc1	ZINC000019522867	539658045	/nfs/dbraw/zinc/65/80/45/539658045.db2.gz	MADFAIXRPRTPTE-UHFFFAOYSA-N	-1	1	352.438	2.131	40	0		FEABMM
COC(=O)c1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)cc1	ZINC000223319764	548719609	/nfs/dbraw/zinc/71/96/09/548719609.db2.gz	FLFJQZVDVBRWCD-UHFFFAOYSA-N	-1	1	362.363	2.017	40	0		FEABMM
Cc1ccc(C(=O)N2CCC[C@@H](c3n[n-]cc3S(C)(=O)=O)C2)s1	ZINC000257203341	549717968	/nfs/dbraw/zinc/71/79/68/549717968.db2.gz	APOWCNHDCIICMR-LLVKDONJSA-N	-1	1	353.469	2.203	40	0		FEABMM
Cc1ccc(C(=O)N2CCC[C@@H](c3[n-]ncc3S(C)(=O)=O)C2)s1	ZINC000257203341	549717972	/nfs/dbraw/zinc/71/79/72/549717972.db2.gz	APOWCNHDCIICMR-LLVKDONJSA-N	-1	1	353.469	2.203	40	0		FEABMM
Cc1ccccc1C[C@@]1(CO)CN(Cc2ccccc2C(=O)[O-])CCO1	ZINC000585279444	570490166	/nfs/dbraw/zinc/49/01/66/570490166.db2.gz	ZHBZWXCDORMHKB-NRFANRHFSA-N	-1	1	355.434	2.499	40	0		FEABMM
Cc1nc2[n-]cnn2c(=O)c1NS(=O)(=O)c1ccc(C(C)(C)C)cc1	ZINC000013483742	539587342	/nfs/dbraw/zinc/58/73/42/539587342.db2.gz	ATEHIWJVBZBHQS-UHFFFAOYSA-N	-1	1	361.427	2.237	40	0		FEABMM
O=C(c1ccccn1)N1CCC[C@H](c2cc(=O)[n-]c(-c3cnccn3)n2)C1	ZINC000013267773	539586183	/nfs/dbraw/zinc/58/61/83/539586183.db2.gz	PGTPYHQCYDXAFI-ZDUSSCGKSA-N	-1	1	362.393	2.054	40	0		FEABMM
Cc1cnc(-c2nc3c(c(=O)[n-]2)CN(Cc2cccc(F)c2F)CC3)cn1	ZINC000019239080	539653585	/nfs/dbraw/zinc/65/35/85/539653585.db2.gz	KLADLUJFONPQOA-UHFFFAOYSA-N	-1	1	369.375	2.372	40	0		FEABMM
CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1	ZINC000408610740	263481112	/nfs/dbraw/zinc/48/11/12/263481112.db2.gz	VMTINBHHIYIIAI-LLVKDONJSA-N	-1	1	352.387	2.140	40	0		FEABMM
COc1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1OC	ZINC000223271561	548718589	/nfs/dbraw/zinc/71/85/89/548718589.db2.gz	DRRJYVIVZVBSCO-UHFFFAOYSA-N	-1	1	364.423	2.487	40	0		FEABMM
COc1cc(CN=Nc2nn[n-]n2)cc(Br)c1OC(C)C	ZINC000005644148	539415108	/nfs/dbraw/zinc/41/51/08/539415108.db2.gz	WRUXIASXHOHACY-UHFFFAOYSA-N	-1	1	355.196	2.204	40	0		FEABMM
NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000013849623	539592177	/nfs/dbraw/zinc/59/21/77/539592177.db2.gz	LDEAZBQYLHRQPO-UHFFFAOYSA-N	-1	1	369.240	2.278	40	0		FEABMM
COCc1nnc([N-]C(=O)c2csc(-n3nc(C)cc3C)n2)s1	ZINC000019116497	539651365	/nfs/dbraw/zinc/65/13/65/539651365.db2.gz	MRHIGRQOJZUTDS-UHFFFAOYSA-N	-1	1	350.429	2.196	40	0		FEABMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)CO)cc2)cc1	ZINC000005516259	207104029	/nfs/dbraw/zinc/10/40/29/207104029.db2.gz	ZNOPDJOBNNIHDB-UHFFFAOYSA-N	-1	1	362.451	2.297	40	0		FEABMM
Cc1nnc(SC(=Cc2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)[O-])o1	ZINC000211547109	571213013	/nfs/dbraw/zinc/21/30/13/571213013.db2.gz	WEYCGQIFEDLIHK-FMNNIJNLSA-N	-1	1	358.379	2.478	40	0		FEABMM
CC(C)n1nccc1CN1CCCC[C@@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000585182027	571238375	/nfs/dbraw/zinc/23/83/75/571238375.db2.gz	JMUOBJQIAVBFKJ-CQSZACIVSA-N	-1	1	351.476	2.318	40	0		FEABMM
CC(C)n1nccc1CN1CCCC[C@@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000585182027	571238377	/nfs/dbraw/zinc/23/83/77/571238377.db2.gz	JMUOBJQIAVBFKJ-CQSZACIVSA-N	-1	1	351.476	2.318	40	0		FEABMM
CCc1c(C)nc(SCC(=O)Nc2ccc(NC(C)=O)cc2)[n-]c1=O	ZINC000005021626	209435438	/nfs/dbraw/zinc/43/54/38/209435438.db2.gz	JBUOIPLGDQHSRX-UHFFFAOYSA-N	-1	1	360.439	2.330	40	0		FEABMM
O=C1Cc2cc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)ccc2N1	ZINC000012147739	207343769	/nfs/dbraw/zinc/34/37/69/207343769.db2.gz	HJYSUTXNKGDJFC-UHFFFAOYSA-N	-1	1	371.418	2.109	40	0		FEABMM
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C(=O)[O-])cc1	ZINC000218617157	548688787	/nfs/dbraw/zinc/68/87/87/548688787.db2.gz	XTWMIXZNVMMWMP-ZHALLVOQSA-N	-1	1	359.447	2.279	40	0		FEABMM
COc1cc(-c2n[nH]c(SCCCC(=O)[O-])n2)cc(OC)c1OC	ZINC000224977332	548730318	/nfs/dbraw/zinc/73/03/18/548730318.db2.gz	KUNARGMVQDGQDE-UHFFFAOYSA-N	-1	1	353.400	2.454	40	0		FEABMM
O=C([O-])c1ccc(Cn2cc(/C=C3/NC(=O)NC3=O)c3ccccc32)o1	ZINC000408544862	558686792	/nfs/dbraw/zinc/68/67/92/558686792.db2.gz	YAVJEILUWSKVBI-NTUHNPAUSA-N	-1	1	351.318	2.161	40	0		FEABMM
COCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1C	ZINC000408627189	558688338	/nfs/dbraw/zinc/68/83/38/558688338.db2.gz	YIKGVCFZJFMPAF-UHFFFAOYSA-N	-1	1	366.414	2.311	40	0		FEABMM
C/C=C/[C@H]1C=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@]1(C)C(=O)C1=C([O-])[C@H](CO)N(C)C1=O	ZINC000575623572	571173350	/nfs/dbraw/zinc/17/33/50/571173350.db2.gz	JTDBLZHVKWRMGZ-WMSGVWBUSA-N	-1	1	373.493	2.395	40	0	in-vitro	FEABMM
C/C=C/[C@H]1C=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@]1(C)C([O-])=C1C(=O)[C@H](CO)N(C)C1=O	ZINC000575623572	571173352	/nfs/dbraw/zinc/17/33/52/571173352.db2.gz	JTDBLZHVKWRMGZ-WMSGVWBUSA-N	-1	1	373.493	2.395	40	0	in-vitro	FEABMM
COc1ccc(S(=O)(=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1	ZINC000001609336	539343043	/nfs/dbraw/zinc/34/30/43/539343043.db2.gz	CYGVARYBUUUCKV-UHFFFAOYSA-N	-1	1	357.409	2.051	40	0		FEABMM
Cc1cnc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccccc2F)C3)cn1	ZINC000013227861	539584865	/nfs/dbraw/zinc/58/48/65/539584865.db2.gz	FAYSMJSWHBWNOZ-UHFFFAOYSA-N	-1	1	365.368	2.285	40	0		FEABMM
CCCc1c(COC)nc(N2CCN(c3ccccc3OC)CC2)[n-]c1=O	ZINC000022448496	539695134	/nfs/dbraw/zinc/69/51/34/539695134.db2.gz	AEKPYIDZZBWPSW-UHFFFAOYSA-N	-1	1	372.469	2.204	40	0		FEABMM
O=C([O-])c1ccc(CN2C[C@@H]3[C@H](C2)OCC(=O)N3c2ccccc2)cc1	ZINC000067897044	207261388	/nfs/dbraw/zinc/26/13/88/207261388.db2.gz	STOCTGHJKNBBDL-MSOLQXFVSA-N	-1	1	352.390	2.001	40	0	biogenic,in-vitro	FEABMM
O=C([O-])[C@H](c1ccc(Br)cc1)N1CCC2(CC1)OCCO2	ZINC000096024385	209096112	/nfs/dbraw/zinc/09/61/12/209096112.db2.gz	BOBXXKQXHHOONM-ZDUSSCGKSA-N	-1	1	356.216	2.414	40	0		FEABMM
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C(=O)[O-])cc1	ZINC000218631323	548689109	/nfs/dbraw/zinc/68/91/09/548689109.db2.gz	WOPXPTNWOGZEJA-BFYDXBDKSA-N	-1	1	365.838	2.370	40	0		FEABMM
Cn1cncc1CN1CCC[C@@H](Cc2cc([N-]c3nncs3)ncn2)C1	ZINC000257268301	549723095	/nfs/dbraw/zinc/72/30/95/549723095.db2.gz	MLBGPZBEQSFFFK-ZDUSSCGKSA-N	-1	1	370.486	2.260	40	0		FEABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)cc1Cl	ZINC000013849713	539592183	/nfs/dbraw/zinc/59/21/83/539592183.db2.gz	BXDPQKWJKNSOBI-UHFFFAOYSA-N	-1	1	354.815	2.177	40	0		FEABMM
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)c1	ZINC000024257282	539728914	/nfs/dbraw/zinc/72/89/14/539728914.db2.gz	GZSKCGHPRGMSGL-UHFFFAOYSA-N	-1	1	351.380	2.291	40	0		FEABMM
CCOC(=O)c1c(=O)c2cc([O-])c(Cl)cc2n(CC)c1[S@@](C)=O	ZINC000044138254	208310856	/nfs/dbraw/zinc/31/08/56/208310856.db2.gz	JBISFGIRXPPWJH-QHCPKHFHSA-N	-1	1	357.815	2.295	40	0		FEABMM
CC(C)OC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O	ZINC000095101367	542957000	/nfs/dbraw/zinc/95/70/00/542957000.db2.gz	XUDVSBBARMDEJE-WRWLIDTKSA-N	-1	1	373.453	2.188	40	0		FEABMM
CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1	ZINC000408610742	263481461	/nfs/dbraw/zinc/48/14/61/263481461.db2.gz	VMTINBHHIYIIAI-NSHDSACASA-N	-1	1	352.387	2.140	40	0		FEABMM
N[C@]1(C(=O)[O-])[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218666568	548690054	/nfs/dbraw/zinc/69/00/54/548690054.db2.gz	QYYFDYJFNAXTSX-IJEWVQPXSA-N	-1	1	369.801	2.201	40	0		FEABMM
Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(Br)s2)no1	ZINC000299629941	553591633	/nfs/dbraw/zinc/59/16/33/553591633.db2.gz	KHLKQZWKOPGLFU-UHFFFAOYSA-N	-1	1	366.262	2.416	40	0		FEABMM
CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2)cc1	ZINC000223291111	209753773	/nfs/dbraw/zinc/75/37/73/209753773.db2.gz	XGCVBFSGCKZOJX-LFYBBSHMSA-N	-1	1	374.418	2.033	40	0		FEABMM
CCNC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)cs1	ZINC000057762998	540813689	/nfs/dbraw/zinc/81/36/89/540813689.db2.gz	UWKDHLOIWCNZFU-UHFFFAOYSA-N	-1	1	368.436	2.305	40	0		FEABMM
CCc1nnc([N-]c2cccc([C@H]3CCCN3C(=O)CNC(C)=O)n2)s1	ZINC000072375386	208841184	/nfs/dbraw/zinc/84/11/84/208841184.db2.gz	WIDJBQGGAPKDPY-CYBMUJFWSA-N	-1	1	374.470	2.039	40	0		FEABMM
CN(C)C(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1	ZINC000223303287	548718634	/nfs/dbraw/zinc/71/86/34/548718634.db2.gz	VULIRCCJEDKABI-UHFFFAOYSA-N	-1	1	352.387	2.094	40	0		FEABMM
N[C@]1(C(=O)[O-])[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1	ZINC000242538953	548887063	/nfs/dbraw/zinc/88/70/63/548887063.db2.gz	JJIKVSIYIUJRRX-SQWLQELKSA-N	-1	1	351.811	2.062	40	0		FEABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCCN(C(=O)C=Cc2ccccc2)C1	ZINC000257305132	549726766	/nfs/dbraw/zinc/72/67/66/549726766.db2.gz	SONXLUPXPCOXDR-FEAKQIBJSA-N	-1	1	359.451	2.233	40	0		FEABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCCN(C(=O)C=Cc2ccccc2)C1	ZINC000257305132	549726769	/nfs/dbraw/zinc/72/67/69/549726769.db2.gz	SONXLUPXPCOXDR-FEAKQIBJSA-N	-1	1	359.451	2.233	40	0		FEABMM
O=c1[n-]c(-c2ccccn2)nc2c1CCN(Cc1ccc3nccnc3c1)C2	ZINC000012120710	539544949	/nfs/dbraw/zinc/54/49/49/539544949.db2.gz	ADTSWMQXXRUIBD-UHFFFAOYSA-N	-1	1	370.416	2.333	40	0		FEABMM
Cc1ccccc1CC(=O)N1CCc2c(nc(-c3cnccn3)[n-]c2=O)C1	ZINC000012258208	539552453	/nfs/dbraw/zinc/55/24/53/539552453.db2.gz	GXGGQEAIISBLCL-UHFFFAOYSA-N	-1	1	361.405	2.075	40	0		FEABMM
CSc1nc(C)c(CC(=O)Nc2cccc(-c3csnn3)c2)c(=O)[n-]1	ZINC000012202038	207348107	/nfs/dbraw/zinc/34/81/07/207348107.db2.gz	PFVPXUFXQKMVRA-UHFFFAOYSA-N	-1	1	373.463	2.500	40	0		FEABMM
COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2C)c1	ZINC000028249764	207956441	/nfs/dbraw/zinc/95/64/41/207956441.db2.gz	YECREHUTUBUEOE-UHFFFAOYSA-N	-1	1	363.391	2.369	40	0		FEABMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c1	ZINC000223821865	548725211	/nfs/dbraw/zinc/72/52/11/548725211.db2.gz	MJQKDUOLGRXLDN-UHFFFAOYSA-N	-1	1	363.391	2.369	40	0		FEABMM
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)C(=O)[O-])cc1	ZINC000242701870	548887177	/nfs/dbraw/zinc/88/71/77/548887177.db2.gz	WOPXPTNWOGZEJA-INMHGKMJSA-N	-1	1	365.838	2.370	40	0		FEABMM
COc1cccc(/C=C2/NC(=O)NC2=O)c1OCc1ccc(C(=O)[O-])cc1	ZINC000033447998	539974703	/nfs/dbraw/zinc/97/47/03/539974703.db2.gz	ZOIREWVPLFLAKG-NTEUORMPSA-N	-1	1	368.345	2.153	40	0		FEABMM
CCn1cc(CN2CCCC[C@H]2c2[n-]ncc2S(C)(=O)=O)c(C)n1	ZINC000257224154	223026376	/nfs/dbraw/zinc/02/63/76/223026376.db2.gz	FANNEJZVWBLHBP-AWEZNQCLSA-N	-1	1	351.476	2.065	40	0		FEABMM
CCn1cc(CN2CCCC[C@H]2c2n[n-]cc2S(C)(=O)=O)c(C)n1	ZINC000257224154	223026379	/nfs/dbraw/zinc/02/63/79/223026379.db2.gz	FANNEJZVWBLHBP-AWEZNQCLSA-N	-1	1	351.476	2.065	40	0		FEABMM
COC(=O)c1ccccc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000013078316	220057472	/nfs/dbraw/zinc/05/74/72/220057472.db2.gz	QTODDGWTOJDYMK-UHFFFAOYSA-N	-1	1	363.391	2.291	40	0		FEABMM
Cc1cnc(-c2nc3c(c(=O)[n-]2)CCN(Cc2ccccc2F)C3)cn1	ZINC000019239063	211208168	/nfs/dbraw/zinc/20/81/68/211208168.db2.gz	GCNRSBMKIQUNEJ-UHFFFAOYSA-N	-1	1	351.385	2.233	40	0		FEABMM
N[C@]1(C(=O)[O-])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218061621	548685485	/nfs/dbraw/zinc/68/54/85/548685485.db2.gz	AMKRFJXITVXSSX-IJEWVQPXSA-N	-1	1	351.811	2.062	40	0		FEABMM
COC(=O)CN1C(=O)S/C(=C/c2ccc([O-])c(Br)c2)C1=O	ZINC000205751544	571307505	/nfs/dbraw/zinc/30/75/05/571307505.db2.gz	VOVGSHFWQOKOSN-BJMVGYQFSA-N	-1	1	372.196	2.364	40	0		FEABMM
CCCn1c2nnc([S-])n2c2cc(C(=O)NCC(C)C)ccc2c1=O	ZINC000021730282	211323613	/nfs/dbraw/zinc/32/36/13/211323613.db2.gz	UQCRYHJRSPBBBO-UHFFFAOYSA-N	-1	1	359.455	2.129	40	0		FEABMM
COCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C	ZINC000020815842	263382545	/nfs/dbraw/zinc/38/25/45/263382545.db2.gz	PRNYGROVCVIJMQ-UHFFFAOYSA-N	-1	1	362.451	2.480	40	0		FEABMM
N[C@@]1(C(=O)[O-])[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218666638	548690145	/nfs/dbraw/zinc/69/01/45/548690145.db2.gz	QYYFDYJFNAXTSX-YCPHGPKFSA-N	-1	1	369.801	2.201	40	0		FEABMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cc(OC)ccc1OC)CC(=O)N2	ZINC000004944328	539396715	/nfs/dbraw/zinc/39/67/15/539396715.db2.gz	RAZMOWXXZFIDFS-LLVKDONJSA-N	-1	1	361.423	2.373	40	0		FEABMM
C[C@@H]1CCCN(S(=O)(=O)c2csc(C(=O)[N-]c3ccon3)c2)C1	ZINC000006680917	539434033	/nfs/dbraw/zinc/43/40/33/539434033.db2.gz	DCRIPFQANUAYCZ-SNVBAGLBSA-N	-1	1	355.441	2.409	40	0		FEABMM
CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000008091030	539477471	/nfs/dbraw/zinc/47/74/71/539477471.db2.gz	AQVGURRQZGYAPP-GXDHUFHOSA-N	-1	1	369.402	2.038	40	0		FEABMM
CC[C@@H](C)N1C(=O)[N-]C(=O)[C@]2(Cc3cccc(F)c3N3CCC[C@@H]32)C1=O	ZINC000008974692	539495835	/nfs/dbraw/zinc/49/58/35/539495835.db2.gz	IMYDKAGNDDQJCW-FRGNPEFRSA-N	-1	1	359.401	2.214	40	0		FEABMM
COc1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)cc1OC	ZINC000223319077	222773727	/nfs/dbraw/zinc/77/37/27/222773727.db2.gz	DTJJWBRGWGQSJK-UHFFFAOYSA-N	-1	1	364.379	2.248	40	0		FEABMM
O=C(NCc1cc(=O)[n-]c(-c2ccccn2)n1)c1cccc2ncccc21	ZINC000019402960	211220836	/nfs/dbraw/zinc/22/08/36/211220836.db2.gz	RAFZWRISNATRBL-UHFFFAOYSA-N	-1	1	357.373	2.310	40	0		FEABMM
Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C(=O)[O-])cc1	ZINC000218631408	548689045	/nfs/dbraw/zinc/68/90/45/548689045.db2.gz	WOPXPTNWOGZEJA-ZMSDIMECSA-N	-1	1	365.838	2.370	40	0		FEABMM
COCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C	ZINC000026974928	539799009	/nfs/dbraw/zinc/79/90/09/539799009.db2.gz	WGPCWIALALJHDC-UHFFFAOYSA-N	-1	1	366.414	2.311	40	0		FEABMM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1C	ZINC000107659166	543274712	/nfs/dbraw/zinc/27/47/12/543274712.db2.gz	YITQTSSRQQVZLX-UHFFFAOYSA-N	-1	1	365.407	2.356	40	0		FEABMM
CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)c1	ZINC000113944704	543499196	/nfs/dbraw/zinc/49/91/96/543499196.db2.gz	VOPASKILCYRCSM-UHFFFAOYSA-N	-1	1	364.423	2.254	40	0		FEABMM
CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1	ZINC000223290620	548717940	/nfs/dbraw/zinc/71/79/40/548717940.db2.gz	GRTFMSDMAJTMSL-RUDMXATFSA-N	-1	1	374.418	2.018	40	0		FEABMM
CCc1ncc(CN2CC[C@@H](Oc3cccnc3)[C@H](CC(=O)[O-])C2)cn1	ZINC000585287023	570494708	/nfs/dbraw/zinc/49/47/08/570494708.db2.gz	ZQWLDHYUYRPQRZ-NVXWUHKLSA-N	-1	1	356.426	2.178	40	0		FEABMM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1	ZINC000007708266	539463583	/nfs/dbraw/zinc/46/35/83/539463583.db2.gz	CYGJVZQTPFXKEU-UHFFFAOYSA-N	-1	1	374.418	2.401	40	0		FEABMM
C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1cccs1)C2	ZINC000072346966	541801468	/nfs/dbraw/zinc/80/14/68/541801468.db2.gz	GPAPDIXARVWRIB-GFCCVEGCSA-N	-1	1	358.467	2.409	40	0		FEABMM
Cc1nc2cc([C@H]3CCCN(C(=O)c4[nH]ncc4Cl)C3)[n-]n2c(=O)c1C	ZINC000100137740	222237232	/nfs/dbraw/zinc/23/72/32/222237232.db2.gz	VMZYDUOVCAFDNU-NSHDSACASA-N	-1	1	374.832	2.448	40	0		FEABMM
CCOC(=O)c1nc2nc(CSc3nc4ccccc4o3)cc(=O)n2[n-]1	ZINC000010157039	263363546	/nfs/dbraw/zinc/36/35/46/263363546.db2.gz	HQTNFZFBKULABZ-UHFFFAOYSA-N	-1	1	371.378	2.028	40	0		FEABMM
COc1ccc(CNC(=O)c2cnc(-c3ccccc3)[n-]c2=O)cc1OC	ZINC000019937351	524067689	/nfs/dbraw/zinc/06/76/89/524067689.db2.gz	GWMSBSDAKSJJRK-UHFFFAOYSA-N	-1	1	365.389	2.384	40	0		FEABMM
COc1cncc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1	ZINC000281833629	551145654	/nfs/dbraw/zinc/14/56/54/551145654.db2.gz	LAYNEIKMYFEMPZ-UHFFFAOYSA-N	-1	1	350.396	2.253	40	0		FEABMM
CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1	ZINC000408603447	558688100	/nfs/dbraw/zinc/68/81/00/558688100.db2.gz	JZBMRJYVEZBEER-LBPRGKRZSA-N	-1	1	364.423	2.009	40	0		FEABMM
CCOc1ccccc1NC(=O)C(=O)c1c([O-])c2ccc(O)cc2oc1=O	ZINC000005962364	539419429	/nfs/dbraw/zinc/41/94/29/539419429.db2.gz	CLONDOFVPCZMOZ-UHFFFAOYSA-N	-1	1	369.329	2.424	40	0		FEABMM
CCOC(=O)c1c(=O)c2cc([O-])c(Cl)cc2n(CC)c1[S@](C)=O	ZINC000044138252	540118758	/nfs/dbraw/zinc/11/87/58/540118758.db2.gz	JBISFGIRXPPWJH-HSZRJFAPSA-N	-1	1	357.815	2.295	40	0		FEABMM
COCCc1c(C)nc(Nc2nc(C)c3cc(OC)ccc3n2)[n-]c1=O	ZINC000020798026	211296534	/nfs/dbraw/zinc/29/65/34/211296534.db2.gz	HGVHSUWOHYTAEA-UHFFFAOYSA-N	-1	1	355.398	2.271	40	0		FEABMM
N[C@@]1(C(=O)[O-])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1	ZINC000242575086	548887021	/nfs/dbraw/zinc/88/70/21/548887021.db2.gz	NRGBSPNZFPBLLU-IIAWOOMASA-N	-1	1	369.801	2.201	40	0		FEABMM
CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1	ZINC000408552292	558686745	/nfs/dbraw/zinc/68/67/45/558686745.db2.gz	LKXUYGBSGFNEML-UHFFFAOYSA-N	-1	1	363.395	2.155	40	0		FEABMM
CCN(CC)c1ccc([C@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@@H]2C(=O)OC)cc1	ZINC000004625856	539389371	/nfs/dbraw/zinc/38/93/71/539389371.db2.gz	SZAQZCQNBDHKDQ-RIFZZMRRSA-N	-1	1	373.453	2.190	40	0		FEABMM
CCCn1c2nnc([S-])n2c2cc(C(=O)NC3CCCC3)ccc2c1=O	ZINC000021730276	211322895	/nfs/dbraw/zinc/32/28/95/211322895.db2.gz	FKISUHWBWNZCEO-UHFFFAOYSA-N	-1	1	371.466	2.415	40	0		FEABMM
COCCc1ncc(CN[C@H](c2cc(=O)n3[n-]c(C)cc3n2)C(C)C)cn1	ZINC000100217732	222239700	/nfs/dbraw/zinc/23/97/00/222239700.db2.gz	ZXSSMHGOEKDNAU-IBGZPJMESA-N	-1	1	370.457	2.209	40	0		FEABMM
Cn1[n-]c(CN2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)nc1=O	ZINC000329609658	553975916	/nfs/dbraw/zinc/97/59/16/553975916.db2.gz	QZKRAFBFNXIOGV-NSHDSACASA-N	-1	1	357.241	2.459	40	0		FEABMM
Nn1c(COc2ccccc2)nnc1SCC(=O)c1ccc([O-])cc1	ZINC000409197781	570738879	/nfs/dbraw/zinc/73/88/79/570738879.db2.gz	OTCNFVPWGBZQON-UHFFFAOYSA-N	-1	1	356.407	2.252	40	0		FEABMM
Cc1nn(C)cc1CN1CCc2nc3cc(C(C)(C)C)[n-]n3c(=O)c2C1	ZINC000012666921	539568842	/nfs/dbraw/zinc/56/88/42/539568842.db2.gz	SNPPXXWWPLFEBS-UHFFFAOYSA-N	-1	1	354.458	2.333	40	0		FEABMM
C[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1cccs1)C2	ZINC000072346967	541801130	/nfs/dbraw/zinc/80/11/30/541801130.db2.gz	GPAPDIXARVWRIB-LBPRGKRZSA-N	-1	1	358.467	2.409	40	0		FEABMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)C[C@H]1COc2ccccc2O1	ZINC000078794783	325062304	/nfs/dbraw/zinc/06/23/04/325062304.db2.gz	AGJHCCULPJJTEQ-ZDUSSCGKSA-N	-1	1	371.437	2.288	40	0		FEABMM
N[C@]1(C(=O)[O-])[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218061784	548685056	/nfs/dbraw/zinc/68/50/56/548685056.db2.gz	AMKRFJXITVXSSX-OFQRWUPVSA-N	-1	1	351.811	2.062	40	0		FEABMM
Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(N)C(=O)[O-])cc1	ZINC000218594742	548688819	/nfs/dbraw/zinc/68/88/19/548688819.db2.gz	TXHSFSZKJDXHRF-ZOBUZTSGSA-N	-1	1	365.838	2.370	40	0		FEABMM
CC(C)(C)OC(=O)N1CCC[C@@H](N=c2nc(Cl)nc3[nH][n-]cc2-3)C1	ZINC000604220533	571347855	/nfs/dbraw/zinc/34/78/55/571347855.db2.gz	ASIFIIHWLOOGHA-SECBINFHSA-N	-1	1	352.826	2.191	40	0		FEABMM
Cc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000007056996	539446632	/nfs/dbraw/zinc/44/66/32/539446632.db2.gz	UXXSCSMISXUVNR-UHFFFAOYSA-N	-1	1	372.443	2.185	40	0		FEABMM
CCOC(=O)COc1ccccc1C=C(Sc1nnc(C)[nH]1)C(=O)[O-]	ZINC000006955113	539442574	/nfs/dbraw/zinc/44/25/74/539442574.db2.gz	YXRVPOOQLLYRLS-JYRVWZFOSA-N	-1	1	363.395	2.273	40	0		FEABMM
CCOC(=O)COc1ccccc1C=C(Sc1n[nH]c(C)n1)C(=O)[O-]	ZINC000006955113	539442579	/nfs/dbraw/zinc/44/25/79/539442579.db2.gz	YXRVPOOQLLYRLS-JYRVWZFOSA-N	-1	1	363.395	2.273	40	0		FEABMM
Cc1cnc(-c2nc3c(c(=O)[n-]2)CN(C(=O)c2ccccc2F)CC3)cn1	ZINC000013227885	220062425	/nfs/dbraw/zinc/06/24/25/220062425.db2.gz	LSPHTDXVTBWXEV-UHFFFAOYSA-N	-1	1	365.368	2.285	40	0		FEABMM
CCOc1ccc2nc(Nc3nc(C)c(CCO)c(=O)[n-]3)nc(C)c2c1	ZINC000020673206	220337590	/nfs/dbraw/zinc/33/75/90/220337590.db2.gz	JRTHPECKIZPSQN-UHFFFAOYSA-N	-1	1	355.398	2.007	40	0		FEABMM
COc1cccc([C@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)c1	ZINC000095101320	542956754	/nfs/dbraw/zinc/95/67/54/542956754.db2.gz	IXQNTJCICKWGPJ-URLQWDBASA-N	-1	1	360.410	2.131	40	0		FEABMM
O=C1[N-]C(=S)NC1=Cc1cc(Br)c(Br)o1	ZINC000408849149	570692017	/nfs/dbraw/zinc/69/20/17/570692017.db2.gz	YARSJOOBSKFHNV-GORDUTHDSA-N	-1	1	352.007	2.150	40	0		FEABMM
Cc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)[N-]c1ccccc1	ZINC000409383903	570754590	/nfs/dbraw/zinc/75/45/90/570754590.db2.gz	ODHCTNIYJORWIB-UHFFFAOYSA-N	-1	1	360.435	2.268	40	0		FEABMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC)c(OC)c1)CC(=O)N2	ZINC000004944345	539396690	/nfs/dbraw/zinc/39/66/90/539396690.db2.gz	AJYPYCJROMWOPJ-JTQLQIEISA-N	-1	1	361.423	2.373	40	0		FEABMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1OCC	ZINC000007360687	539455957	/nfs/dbraw/zinc/45/59/57/539455957.db2.gz	FWCOOQDQUGCHCG-UHFFFAOYSA-N	-1	1	364.423	2.384	40	0		FEABMM
Cn1ccc2cc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)ccc21	ZINC000012117133	539543910	/nfs/dbraw/zinc/54/39/10/539543910.db2.gz	YFXBVZUNYOMTER-UHFFFAOYSA-N	-1	1	357.391	2.424	40	0		FEABMM
COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)c1	ZINC000028198204	539827483	/nfs/dbraw/zinc/82/74/83/539827483.db2.gz	FNQXKGJGBYJQNK-UHFFFAOYSA-N	-1	1	363.391	2.369	40	0		FEABMM
CCN1CCN(Cc2ccc(C(=O)[O-])cc2I)CC1	ZINC000039951864	540003129	/nfs/dbraw/zinc/00/31/29/540003129.db2.gz	PWKDIXNXVGYHAA-UHFFFAOYSA-N	-1	1	374.222	2.127	40	0		FEABMM
O=c1[n-]c(-c2cnccn2)nc2c1CN(Cc1cccc(F)c1F)CC2	ZINC000019292755	220246963	/nfs/dbraw/zinc/24/69/63/220246963.db2.gz	ONCGJCXLUFVMSY-UHFFFAOYSA-N	-1	1	355.348	2.063	40	0		FEABMM
CCOc1cccc2c(C)nc(Nc3nc(C)c(CCO)c(=O)[n-]3)nc12	ZINC000020673194	220337532	/nfs/dbraw/zinc/33/75/32/220337532.db2.gz	NUCDDBKWABTNKT-UHFFFAOYSA-N	-1	1	355.398	2.007	40	0		FEABMM
CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1	ZINC000408722159	263490466	/nfs/dbraw/zinc/49/04/66/263490466.db2.gz	PQVQWOLDVTVLDO-UHFFFAOYSA-N	-1	1	372.402	2.343	40	0		FEABMM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)ccc1Cl	ZINC000223834058	548725108	/nfs/dbraw/zinc/72/51/08/548725108.db2.gz	ZTCIBMWMRWFYDJ-UHFFFAOYSA-N	-1	1	368.798	2.026	40	0		FEABMM
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@]2(N)C(=O)[O-])cc1	ZINC000242547709	548886796	/nfs/dbraw/zinc/88/67/96/548886796.db2.gz	KTHITLFOFMQOCQ-BFYDXBDKSA-N	-1	1	365.838	2.370	40	0		FEABMM
N[C@]1(C(=O)[O-])[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000242575087	548886899	/nfs/dbraw/zinc/88/68/99/548886899.db2.gz	NRGBSPNZFPBLLU-SQWLQELKSA-N	-1	1	369.801	2.201	40	0		FEABMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)ccc1C	ZINC000408591048	558687492	/nfs/dbraw/zinc/68/74/92/558687492.db2.gz	IAVLOXLGAXAODI-UHFFFAOYSA-N	-1	1	361.423	2.114	40	0		FEABMM
Cc1ccc(C(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000010112909	539513256	/nfs/dbraw/zinc/51/32/56/539513256.db2.gz	PQJCCRQGBLAMJD-UHFFFAOYSA-N	-1	1	360.435	2.268	40	0		FEABMM
CN(C)C(=O)[C@H]1CCN(Cc2ncc(-c3ccccc3C(=O)[O-])s2)C1	ZINC000257250451	223037419	/nfs/dbraw/zinc/03/74/19/223037419.db2.gz	JMORYPVHNGUBQL-LBPRGKRZSA-N	-1	1	359.451	2.418	40	0		FEABMM
O=C(c1cscn1)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1	ZINC000013268094	220061976	/nfs/dbraw/zinc/06/19/76/220061976.db2.gz	KEVGJFZKPQBEPX-UHFFFAOYSA-N	-1	1	368.422	2.116	40	0		FEABMM
O=c1[n-]c(-c2cnccn2)nc2c1CN(Cc1ccc(F)c(F)c1)CC2	ZINC000019292960	220245490	/nfs/dbraw/zinc/24/54/90/220245490.db2.gz	RVECCIUFHFMGNB-UHFFFAOYSA-N	-1	1	355.348	2.063	40	0		FEABMM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCCCN1C(=O)Cc1cccs1	ZINC000257259262	533468172	/nfs/dbraw/zinc/46/81/72/533468172.db2.gz	KXNVCKAMXJOPIU-GFCCVEGCSA-N	-1	1	353.469	2.171	40	0		FEABMM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCCCN1C(=O)Cc1cccs1	ZINC000257259262	533468176	/nfs/dbraw/zinc/46/81/76/533468176.db2.gz	KXNVCKAMXJOPIU-GFCCVEGCSA-N	-1	1	353.469	2.171	40	0		FEABMM
CCN(Cc1ccccc1)C(=O)C1=C([O-])CC(C)(C)[C@H](C(=O)OC)C1=O	ZINC000100487001	222245674	/nfs/dbraw/zinc/24/56/74/222245674.db2.gz	FRVHIMILJVKLLT-CVEARBPZSA-N	-1	1	359.422	2.009	40	0		FEABMM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c1	ZINC000223272886	548718350	/nfs/dbraw/zinc/71/83/50/548718350.db2.gz	FEUQOVBQACJJOS-UHFFFAOYSA-N	-1	1	361.423	2.429	40	0		FEABMM
Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2	ZINC000223319240	548719167	/nfs/dbraw/zinc/71/91/67/548719167.db2.gz	YUMJTFNWCJJQNW-UHFFFAOYSA-N	-1	1	362.363	2.002	40	0		FEABMM
Cc1ccc(C(=O)N2CCN(C)CC2)cc1S(=O)(=O)[N-]c1ccccc1	ZINC000409408942	570758465	/nfs/dbraw/zinc/75/84/65/570758465.db2.gz	FGRHTWHMZNJZMH-UHFFFAOYSA-N	-1	1	373.478	2.183	40	0		FEABMM
CCOc1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000045866053	540232085	/nfs/dbraw/zinc/23/20/85/540232085.db2.gz	ZGXWACIOWBWIEQ-UHFFFAOYSA-N	-1	1	355.437	2.290	40	0		FEABMM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1	ZINC000055555156	221071604	/nfs/dbraw/zinc/07/16/04/221071604.db2.gz	WILYOBVTJOEKMD-UHFFFAOYSA-N	-1	1	360.435	2.369	40	0		FEABMM
Cc1ccc2ncccc2c1NC(=O)CCc1c(C)nc2[n-]cnn2c1=O	ZINC000100779042	222253154	/nfs/dbraw/zinc/25/31/54/222253154.db2.gz	NUTLRXPSTQSKSE-UHFFFAOYSA-N	-1	1	362.393	2.154	40	0		FEABMM
CC[C@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc(S(C)(=O)=O)cc1	ZINC000223083641	548715695	/nfs/dbraw/zinc/71/56/95/548715695.db2.gz	MBHMLVKECHGVDZ-AWEZNQCLSA-N	-1	1	372.468	2.125	40	0		FEABMM
CCn1c2ccc(NC(=O)CSc3nccc(=O)[n-]3)cc2n(CC)c1=O	ZINC000408543511	558686585	/nfs/dbraw/zinc/68/65/85/558686585.db2.gz	POSSUNQABRWIPG-UHFFFAOYSA-N	-1	1	373.438	2.069	40	0		FEABMM
CC(C)n1nccc1CN1CCCC[C@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000585182026	571238418	/nfs/dbraw/zinc/23/84/18/571238418.db2.gz	JMUOBJQIAVBFKJ-AWEZNQCLSA-N	-1	1	351.476	2.318	40	0		FEABMM
CC(C)n1nccc1CN1CCCC[C@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000585182026	571238420	/nfs/dbraw/zinc/23/84/20/571238420.db2.gz	JMUOBJQIAVBFKJ-AWEZNQCLSA-N	-1	1	351.476	2.318	40	0		FEABMM
CCn1cc(CN2CCCC[C@@H]2c2[n-]ncc2S(C)(=O)=O)c(C)n1	ZINC000257224155	223026869	/nfs/dbraw/zinc/02/68/69/223026869.db2.gz	FANNEJZVWBLHBP-CQSZACIVSA-N	-1	1	351.476	2.065	40	0		FEABMM
CCn1cc(CN2CCCC[C@@H]2c2n[n-]cc2S(C)(=O)=O)c(C)n1	ZINC000257224155	223026871	/nfs/dbraw/zinc/02/68/71/223026871.db2.gz	FANNEJZVWBLHBP-CQSZACIVSA-N	-1	1	351.476	2.065	40	0		FEABMM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1	ZINC000055555198	540658621	/nfs/dbraw/zinc/65/86/21/540658621.db2.gz	XGRIOJDGUCFHEL-UHFFFAOYSA-N	-1	1	363.391	2.242	40	0		FEABMM
O=C(CCn1c2nnc([S-])n2c2ccccc2c1=O)NC1CCCCC1	ZINC000021658333	220361931	/nfs/dbraw/zinc/36/19/31/220361931.db2.gz	AISWJKQVEBYCHE-UHFFFAOYSA-N	-1	1	371.466	2.172	40	0		FEABMM
COc1cccc([C@@H]2c3c([n-][nH]c3=O)C[C@](C)(O)[C@@H]2C(=O)OC(C)C)c1	ZINC000107913276	543281112	/nfs/dbraw/zinc/28/11/12/543281112.db2.gz	IXQNTJCICKWGPJ-ALKREAHSSA-N	-1	1	360.410	2.131	40	0		FEABMM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1	ZINC000223271968	548717766	/nfs/dbraw/zinc/71/77/66/548717766.db2.gz	CFCAACDNLVHVFP-UHFFFAOYSA-N	-1	1	362.407	2.257	40	0		FEABMM
N[C@]1(C(=O)[O-])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000225665041	548740686	/nfs/dbraw/zinc/74/06/86/548740686.db2.gz	JOUCWNPHJYAEHM-OFQRWUPVSA-N	-1	1	351.811	2.062	40	0		FEABMM
CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)[N-]C2=O)cc1Cl	ZINC000006386123	539427231	/nfs/dbraw/zinc/42/72/31/539427231.db2.gz	PJOZSTFYVSDIIW-BJMVGYQFSA-N	-1	1	359.165	2.116	40	0		FEABMM
CC(C)(C)CC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CCN2CCOCC2)C1	ZINC000012481132	220000390	/nfs/dbraw/zinc/00/03/90/220000390.db2.gz	PBZRPQWCRSYICZ-HOTGVXAUSA-N	-1	1	354.491	2.084	40	0	biogenic,in-vitro	FEABMM
O=C(CCc1ccccc1)N1CCc2nc(-c3cnccn3)[n-]c(=O)c2C1	ZINC000013267092	220061811	/nfs/dbraw/zinc/06/18/11/220061811.db2.gz	PTILBULYQOPXDE-UHFFFAOYSA-N	-1	1	361.405	2.157	40	0		FEABMM
O=C(c1ccncc1)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1	ZINC000013268181	220062538	/nfs/dbraw/zinc/06/25/38/220062538.db2.gz	JHJQHMMGBXJAIK-UHFFFAOYSA-N	-1	1	362.393	2.054	40	0		FEABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCCN1C(=O)Cc1cccs1	ZINC000257259263	533466426	/nfs/dbraw/zinc/46/64/26/533466426.db2.gz	KXNVCKAMXJOPIU-LBPRGKRZSA-N	-1	1	353.469	2.171	40	0		FEABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCCN1C(=O)Cc1cccs1	ZINC000257259263	533466428	/nfs/dbraw/zinc/46/64/28/533466428.db2.gz	KXNVCKAMXJOPIU-LBPRGKRZSA-N	-1	1	353.469	2.171	40	0		FEABMM
Cc1[n-]n2c(nc3c(c2=O)CN(C(=O)c2ccn[nH]2)C3)c1-c1ccccc1	ZINC000100215284	222239721	/nfs/dbraw/zinc/23/97/21/222239721.db2.gz	YBIYKERDSLNMQT-UHFFFAOYSA-N	-1	1	360.377	2.289	40	0		FEABMM
CNS(=O)(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C)ccc2C)c1	ZINC000225927452	548745959	/nfs/dbraw/zinc/74/59/59/548745959.db2.gz	CKIFSMFGZWFSBL-UHFFFAOYSA-N	-1	1	368.480	2.321	40	0		FEABMM
CC1CCN(S(=O)(=O)c2csc(C(=O)[N-]c3ccon3)c2)CC1	ZINC000006680674	539433593	/nfs/dbraw/zinc/43/35/93/539433593.db2.gz	URSYRFYMGPXPHG-UHFFFAOYSA-N	-1	1	355.441	2.409	40	0		FEABMM
COCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000028202801	539827790	/nfs/dbraw/zinc/82/77/90/539827790.db2.gz	ILVWGYLMYGZENP-UHFFFAOYSA-N	-1	1	366.414	2.393	40	0		FEABMM
Cc1nnc([N-]c2cccc([C@H]3CCCN(S(C)(=O)=O)C3)n2)s1	ZINC000072375978	541803540	/nfs/dbraw/zinc/80/35/40/541803540.db2.gz	GKHIWNBNIWRWRJ-NSHDSACASA-N	-1	1	353.473	2.124	40	0		FEABMM
COCCC(=O)N1CCC[C@@H](c2nccnc2[N-]c2nc(C)cc(C)n2)C1	ZINC000072362411	541802333	/nfs/dbraw/zinc/80/23/33/541802333.db2.gz	MAXBNXPNTZZRBQ-OAHLLOKOSA-N	-1	1	370.457	2.370	40	0		FEABMM
Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1	ZINC000019291852	220245305	/nfs/dbraw/zinc/24/53/05/220245305.db2.gz	JMNUDEOPEHYXLI-UHFFFAOYSA-N	-1	1	358.379	2.012	40	0		FEABMM
CC(C)OC(=O)[C@H]1[C@@H](c2ccc(N(C)C)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O	ZINC000095101369	221849091	/nfs/dbraw/zinc/84/90/91/221849091.db2.gz	XUDVSBBARMDEJE-XAUMDUMWSA-N	-1	1	373.453	2.188	40	0		FEABMM
Cc1nc2[n-]cnn2c(=O)c1CC(=O)Nc1nc2c(s1)CCCCCC2	ZINC000100771195	222252986	/nfs/dbraw/zinc/25/29/86/222252986.db2.gz	LUCHWINTLUZDBT-UHFFFAOYSA-N	-1	1	372.454	2.023	40	0		FEABMM
COCCOC(=O)NC(=S)[N-]c1ccc2c(c1)N(C(C)=O)[C@H](C)C2	ZINC000005336098	263339937	/nfs/dbraw/zinc/33/99/37/263339937.db2.gz	YLCCLAPQQNMZNG-SNVBAGLBSA-N	-1	1	351.428	2.054	40	0		FEABMM
Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1OCC(=O)N(C)C	ZINC000223244003	548718237	/nfs/dbraw/zinc/71/82/37/548718237.db2.gz	KDTVFPSHAJRRNH-UHFFFAOYSA-N	-1	1	366.414	2.402	40	0		FEABMM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)c1	ZINC000223321498	548719558	/nfs/dbraw/zinc/71/95/58/548719558.db2.gz	KKZSRZAIUOGYFI-UHFFFAOYSA-N	-1	1	361.379	2.189	40	0		FEABMM
COc1ccc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])c(OC)c1OC	ZINC000008272279	539481786	/nfs/dbraw/zinc/48/17/86/539481786.db2.gz	HLWXWGYPMTTWHN-XFFZJAGNSA-N	-1	1	351.384	2.357	40	0		FEABMM
COc1ccc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])c(OC)c1OC	ZINC000008272279	539481787	/nfs/dbraw/zinc/48/17/87/539481787.db2.gz	HLWXWGYPMTTWHN-XFFZJAGNSA-N	-1	1	351.384	2.357	40	0		FEABMM
CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OC	ZINC000010130211	539513279	/nfs/dbraw/zinc/51/32/79/539513279.db2.gz	XRCWADMRLREHST-MRVPVSSYSA-N	-1	1	368.842	2.440	40	0		FEABMM
CSc1ncc(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)cn1	ZINC000012122821	539545040	/nfs/dbraw/zinc/54/50/40/539545040.db2.gz	XVPJBONBTRPAOT-UHFFFAOYSA-N	-1	1	366.450	2.314	40	0		FEABMM
Cc1cccc(CC(=O)N2CCc3nc(-c4cnccn4)[n-]c(=O)c3C2)c1	ZINC000012258420	539552316	/nfs/dbraw/zinc/55/23/16/539552316.db2.gz	QZWLFGUVFIGOJQ-UHFFFAOYSA-N	-1	1	361.405	2.075	40	0		FEABMM
O=C([O-])CNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(C2CC2)n1	ZINC000329062348	223131961	/nfs/dbraw/zinc/13/19/61/223131961.db2.gz	WWWQRTSGINUJOG-UHFFFAOYSA-N	-1	1	369.208	2.450	40	0		FEABMM
CCn1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)cc2oc1=O	ZINC000019936798	220307121	/nfs/dbraw/zinc/30/71/21/220307121.db2.gz	UBSSWBXQJKLWIA-UHFFFAOYSA-N	-1	1	362.363	2.144	40	0		FEABMM
COc1ccc([C@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)C)cc1	ZINC000095101353	542957005	/nfs/dbraw/zinc/95/70/05/542957005.db2.gz	HVZJRELUYWVPSK-ZSZQSSIHSA-N	-1	1	360.410	2.131	40	0		FEABMM
N[C@@]1(C(=O)[O-])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218593205	548688555	/nfs/dbraw/zinc/68/85/55/548688555.db2.gz	JJIKVSIYIUJRRX-DZKIICNBSA-N	-1	1	351.811	2.062	40	0		FEABMM
CNS(=O)(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000222984792	548714190	/nfs/dbraw/zinc/71/41/90/548714190.db2.gz	GPBZPSVFXXTOCN-UHFFFAOYSA-N	-1	1	354.453	2.012	40	0		FEABMM
COc1ccc(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)cc1O	ZINC000019559745	539661165	/nfs/dbraw/zinc/66/11/65/539661165.db2.gz	DHUQQCJNYZVFDJ-UHFFFAOYSA-N	-1	1	364.405	2.104	40	0		FEABMM
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(N)C(=O)[O-])cc1	ZINC000218593630	206371795	/nfs/dbraw/zinc/37/17/95/206371795.db2.gz	KTHITLFOFMQOCQ-INMHGKMJSA-N	-1	1	365.838	2.370	40	0		FEABMM
CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(N(C)C)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O	ZINC000095101368	542957366	/nfs/dbraw/zinc/95/73/66/542957366.db2.gz	XUDVSBBARMDEJE-RIFZZMRRSA-N	-1	1	373.453	2.188	40	0		FEABMM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)ccc1C	ZINC000408618696	558687905	/nfs/dbraw/zinc/68/79/05/558687905.db2.gz	FBSBXSHJVVSLMY-UHFFFAOYSA-N	-1	1	362.407	2.274	40	0		FEABMM
O=C(CCC1CCCC1)N1CCc2c(=O)[n-]c(-c3cnccn3)nc2C1	ZINC000013268116	539586048	/nfs/dbraw/zinc/58/60/48/539586048.db2.gz	KMDROKXSESXKFY-UHFFFAOYSA-N	-1	1	353.426	2.494	40	0		FEABMM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)c1	ZINC000024261846	539729030	/nfs/dbraw/zinc/72/90/30/539729030.db2.gz	QPBUKTFSEUORJU-UHFFFAOYSA-N	-1	1	363.391	2.451	40	0		FEABMM
Cc1cc(C(=O)N2CCN(C)CC2)ccc1[N-]S(=O)(=O)c1ccccc1	ZINC000010113016	204390906	/nfs/dbraw/zinc/39/09/06/204390906.db2.gz	ZBSXNWGNWRCJIT-UHFFFAOYSA-N	-1	1	373.478	2.183	40	0		FEABMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1cc(OC)ccc1OC)CC(=O)N2	ZINC000004944329	206185984	/nfs/dbraw/zinc/18/59/84/206185984.db2.gz	RAZMOWXXZFIDFS-NSHDSACASA-N	-1	1	361.423	2.373	40	0		FEABMM
Cc1nc(NS(=O)(=O)c2ccc(Br)cc2)ncc1C(=O)[O-]	ZINC000217401586	206363075	/nfs/dbraw/zinc/36/30/75/206363075.db2.gz	JMLOVDLWHBUDIE-UHFFFAOYSA-N	-1	1	372.200	2.047	40	0		FEABMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)C[C@@H]1COc2ccccc2O1	ZINC000078794776	325062639	/nfs/dbraw/zinc/06/26/39/325062639.db2.gz	AGJHCCULPJJTEQ-CYBMUJFWSA-N	-1	1	371.437	2.288	40	0		FEABMM
C[C@@]1(NCCOc2ccc(C=C3SC(=O)[N-]C3=O)cc2)C=CC=CN1	ZINC000584577142	571186808	/nfs/dbraw/zinc/18/68/08/571186808.db2.gz	VOAFFAIODQVEHG-NKAIQICCSA-N	-1	1	357.435	2.368	40	0		FEABMM
COCCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000010314755	263364852	/nfs/dbraw/zinc/36/48/52/263364852.db2.gz	ZSIGRLDAIBQNSH-UHFFFAOYSA-N	-1	1	362.451	2.480	40	0		FEABMM
CCn1nc(C(C)C)cc1C(=O)N1CCO[C@@H](c2nc(C)cc(=O)[n-]2)C1	ZINC000257283098	549724155	/nfs/dbraw/zinc/72/41/55/549724155.db2.gz	OWTDCDFWHGOSJU-OAHLLOKOSA-N	-1	1	359.430	2.044	40	0		FEABMM
Cc1cnc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)CC2CCCC2)C3)cn1	ZINC000013227853	539584874	/nfs/dbraw/zinc/58/48/74/539584874.db2.gz	BHEFVKLWLCGKPP-UHFFFAOYSA-N	-1	1	353.426	2.413	40	0		FEABMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1	ZINC000015245347	539614577	/nfs/dbraw/zinc/61/45/77/539614577.db2.gz	RNLQTKTZAVXACV-UHFFFAOYSA-N	-1	1	374.418	2.183	40	0		FEABMM
O=C(c1cnc(-c2ccccc2)[n-]c1=O)N1CCN(c2ccccc2)CC1	ZINC000019937285	539670715	/nfs/dbraw/zinc/67/07/15/539670715.db2.gz	SEPGMPYZLHUSSC-UHFFFAOYSA-N	-1	1	360.417	2.399	40	0		FEABMM
CC(C)(C)c1cc(NC(=O)NC2CC2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1	ZINC000038670572	539999674	/nfs/dbraw/zinc/99/96/74/539999674.db2.gz	KRCFGZRSTSRCGO-UHFFFAOYSA-N	-1	1	356.430	2.438	40	0		FEABMM
O=C(CC1CCCCC1)N1CCc2c(=O)[n-]c(-c3cnccn3)nc2C1	ZINC000013268114	204527007	/nfs/dbraw/zinc/52/70/07/204527007.db2.gz	QQSRSNMYUDHMNE-UHFFFAOYSA-N	-1	1	353.426	2.494	40	0		FEABMM
Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C(=O)[O-])cc1	ZINC000218631247	206371730	/nfs/dbraw/zinc/37/17/30/206371730.db2.gz	WOPXPTNWOGZEJA-YQQAZPJKSA-N	-1	1	365.838	2.370	40	0		FEABMM
COc1ccc([C@@H]2c3c([n-][nH]c3=O)C[C@](C)(O)[C@@H]2C(=O)OC(C)C)cc1	ZINC000107913337	543280863	/nfs/dbraw/zinc/28/08/63/543280863.db2.gz	HVZJRELUYWVPSK-ALKREAHSSA-N	-1	1	360.410	2.131	40	0		FEABMM
Cn1nc(C(C)(C)C)cc1C(=O)NCc1cc(=O)[n-]c(-c2ccccn2)n1	ZINC000019083811	539651461	/nfs/dbraw/zinc/65/14/61/539651461.db2.gz	WEPSZEFGOJPUNM-UHFFFAOYSA-N	-1	1	366.425	2.205	40	0		FEABMM
N[C@]1(C(=O)[O-])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218592998	206371957	/nfs/dbraw/zinc/37/19/57/206371957.db2.gz	JJIKVSIYIUJRRX-IJEWVQPXSA-N	-1	1	351.811	2.062	40	0		FEABMM
Cc1c(CN2CCc3nc4cc(C(C)(C)C)[n-]n4c(=O)c3C2)cnn1C	ZINC000100752964	543026025	/nfs/dbraw/zinc/02/60/25/543026025.db2.gz	PELLVAMOSHWEQH-UHFFFAOYSA-N	-1	1	354.458	2.333	40	0		FEABMM
Cc1cc(=O)[n-]c([C@@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)CCO2)n1	ZINC000257212059	549717591	/nfs/dbraw/zinc/71/75/91/549717591.db2.gz	CBTFXPWLLFFLSX-KRWDZBQOSA-N	-1	1	353.422	2.122	40	0		FEABMM
CCCn1cc(CN2CCCC[C@@H]2c2[n-]ncc2S(C)(=O)=O)cn1	ZINC000257249051	549720971	/nfs/dbraw/zinc/72/09/71/549720971.db2.gz	JGMJNJRABHDAMS-CQSZACIVSA-N	-1	1	351.476	2.147	40	0		FEABMM
CCCn1cc(CN2CCCC[C@@H]2c2n[n-]cc2S(C)(=O)=O)cn1	ZINC000257249051	549720973	/nfs/dbraw/zinc/72/09/73/549720973.db2.gz	JGMJNJRABHDAMS-CQSZACIVSA-N	-1	1	351.476	2.147	40	0		FEABMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)ccc1C	ZINC000408594912	558687531	/nfs/dbraw/zinc/68/75/31/558687531.db2.gz	PWOVUYIWSOPZTI-UHFFFAOYSA-N	-1	1	361.423	2.114	40	0		FEABMM
O=C(c1cccnc1)N1CCC[C@@H](c2cc(=O)[n-]c(-c3cnccn3)n2)C1	ZINC000013266148	539584930	/nfs/dbraw/zinc/58/49/30/539584930.db2.gz	XYKUFDFSESYDTC-CQSZACIVSA-N	-1	1	362.393	2.054	40	0		FEABMM
CC(C)CNC(=O)c1ccc2c(c1)n1c([S-])nnc1n(CC(C)C)c2=O	ZINC000021730052	539686672	/nfs/dbraw/zinc/68/66/72/539686672.db2.gz	OKALSGYKODLIMU-UHFFFAOYSA-N	-1	1	373.482	2.375	40	0		FEABMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)ccc1OC	ZINC000010008840	204388601	/nfs/dbraw/zinc/38/86/01/204388601.db2.gz	MDPYORSCXQZAHQ-UHFFFAOYSA-N	-1	1	356.350	2.134	40	0		FEABMM
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@@]2(N)C(=O)[O-])cc1	ZINC000218593761	206371405	/nfs/dbraw/zinc/37/14/05/206371405.db2.gz	KTHITLFOFMQOCQ-UXLLHSPISA-N	-1	1	365.838	2.370	40	0		FEABMM
CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C(=O)[O-])cc1	ZINC000218617243	206372485	/nfs/dbraw/zinc/37/24/85/206372485.db2.gz	XTWMIXZNVMMWMP-YQVWRLOYSA-N	-1	1	359.447	2.279	40	0		FEABMM
COCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1	ZINC000409383985	570754898	/nfs/dbraw/zinc/75/48/98/570754898.db2.gz	TXCCTGWHWGTDDU-UHFFFAOYSA-N	-1	1	362.451	2.480	40	0		FEABMM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1	ZINC000004884386	539394738	/nfs/dbraw/zinc/39/47/38/539394738.db2.gz	CSAHFFLFTMSDAT-UHFFFAOYSA-N	-1	1	374.418	2.183	40	0		FEABMM
O=c1cc(CSc2ncccn2)[nH]c2nn(-c3ccc(F)cc3)c([O-])c21	ZINC000008020960	539474559	/nfs/dbraw/zinc/47/45/59/539474559.db2.gz	QEZATKQXKSKZHC-UHFFFAOYSA-N	-1	1	369.381	2.229	40	0		FEABMM
O=c1c2c([O-])cc(CSc3ncccn3)[nH]c-2nn1-c1ccc(F)cc1	ZINC000008020960	539474565	/nfs/dbraw/zinc/47/45/65/539474565.db2.gz	QEZATKQXKSKZHC-UHFFFAOYSA-N	-1	1	369.381	2.229	40	0		FEABMM
CC(C)Cn1c2nnc([S-])n2c2cc(C(=O)NC(C)C)ccc2c1=O	ZINC000021730463	539686504	/nfs/dbraw/zinc/68/65/04/539686504.db2.gz	ODHSTPPZAUPREA-UHFFFAOYSA-N	-1	1	359.455	2.127	40	0		FEABMM
CCCc1nc(SCC(=O)Nc2nnc(C)s2)[n-]c(=O)c1CC	ZINC000035313289	204238917	/nfs/dbraw/zinc/23/89/17/204238917.db2.gz	SVBJSKODYJLBQZ-UHFFFAOYSA-N	-1	1	353.473	2.176	40	0		FEABMM
CC[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc(S(C)(=O)=O)cc1	ZINC000223083579	548716149	/nfs/dbraw/zinc/71/61/49/548716149.db2.gz	MBHMLVKECHGVDZ-CQSZACIVSA-N	-1	1	372.468	2.125	40	0		FEABMM
Cc1cc(=O)[n-]c([C@H]2CN(C(=O)c3ccc4ncccc4c3)CCO2)n1	ZINC000257224157	549719262	/nfs/dbraw/zinc/71/92/62/549719262.db2.gz	FANOMFONZCEGGX-MRXNPFEDSA-N	-1	1	350.378	2.253	40	0		FEABMM
CCc1nc(C)c(CN2CC[C@@H](Oc3cccnc3)[C@H](CC(=O)[O-])C2)[nH]1	ZINC000585286882	570494731	/nfs/dbraw/zinc/49/47/31/570494731.db2.gz	WDGVIXFSTGWSNN-RHSMWYFYSA-N	-1	1	358.442	2.420	40	0		FEABMM
O=c1[n-]c(-c2ccccn2)nc2c1CCN(Cc1nc3ccccc3[nH]1)C2	ZINC000012120755	539544508	/nfs/dbraw/zinc/54/45/08/539544508.db2.gz	OJWHEKLTLZUFBG-UHFFFAOYSA-N	-1	1	358.405	2.267	40	0		FEABMM
COc1ccc([C@@H]2c3c([n-][nH]c3=O)C[C@](C)(O)[C@H]2C(=O)OC(C)C)cc1	ZINC000230217476	548759310	/nfs/dbraw/zinc/75/93/10/548759310.db2.gz	HVZJRELUYWVPSK-OGWOLHLISA-N	-1	1	360.410	2.131	40	0		FEABMM
N[C@@]1(C(=O)[O-])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(F)c1	ZINC000242648543	548887139	/nfs/dbraw/zinc/88/71/39/548887139.db2.gz	QYYFDYJFNAXTSX-IIAWOOMASA-N	-1	1	369.801	2.201	40	0		FEABMM
CCCn1cc(CN2CCCC[C@H]2c2[n-]ncc2S(C)(=O)=O)cn1	ZINC000257249050	549720710	/nfs/dbraw/zinc/72/07/10/549720710.db2.gz	JGMJNJRABHDAMS-AWEZNQCLSA-N	-1	1	351.476	2.147	40	0		FEABMM
CCCn1cc(CN2CCCC[C@H]2c2n[n-]cc2S(C)(=O)=O)cn1	ZINC000257249050	549720714	/nfs/dbraw/zinc/72/07/14/549720714.db2.gz	JGMJNJRABHDAMS-AWEZNQCLSA-N	-1	1	351.476	2.147	40	0		FEABMM
Cc1cc(=O)[n-]c([C@H]2CN(Cc3c[nH]nc3-c3ccccc3)CCO2)n1	ZINC000257240196	549720867	/nfs/dbraw/zinc/72/08/67/549720867.db2.gz	HSMWQVIBCMCXJZ-MRXNPFEDSA-N	-1	1	351.410	2.454	40	0		FEABMM
Cc1ccccc1C[C@]1(CO)CN(Cc2ccccc2C(=O)[O-])CCO1	ZINC000585279447	570490374	/nfs/dbraw/zinc/49/03/74/570490374.db2.gz	ZHBZWXCDORMHKB-OAQYLSRUSA-N	-1	1	355.434	2.499	40	0		FEABMM
O=C(CSc1nnc([N-]C(=O)c2c(F)cccc2F)s1)NC1CC1	ZINC000006673639	539433628	/nfs/dbraw/zinc/43/36/28/539433628.db2.gz	WVCLTIBGUJRXLG-UHFFFAOYSA-N	-1	1	370.406	2.439	40	0		FEABMM
O=C(c1ccccn1)N1CCC[C@@H](c2cc(=O)[n-]c(-c3cnccn3)n2)C1	ZINC000013267772	539585746	/nfs/dbraw/zinc/58/57/46/539585746.db2.gz	PGTPYHQCYDXAFI-CYBMUJFWSA-N	-1	1	362.393	2.054	40	0		FEABMM
COCCC(=O)N1CCC[C@@H]1c1nccnc1[N-]c1nc(C)cc(C)n1	ZINC000072384800	541804188	/nfs/dbraw/zinc/80/41/88/541804188.db2.gz	OOZVKDVZBDEXEW-CQSZACIVSA-N	-1	1	356.430	2.327	40	0		FEABMM
COc1cccc([C@@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)C)c1	ZINC000095101319	209021280	/nfs/dbraw/zinc/02/12/80/209021280.db2.gz	IXQNTJCICKWGPJ-IDHHARJASA-N	-1	1	360.410	2.131	40	0		FEABMM
COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(C)nc3C2)cc1Cn1cccn1	ZINC000019576589	263374635	/nfs/dbraw/zinc/37/46/35/263374635.db2.gz	PAIJPEYJXARDNF-UHFFFAOYSA-N	-1	1	365.437	2.302	40	0		FEABMM
N[C@@]1(C(=O)[O-])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218061714	548685183	/nfs/dbraw/zinc/68/51/83/548685183.db2.gz	AMKRFJXITVXSSX-YCPHGPKFSA-N	-1	1	351.811	2.062	40	0		FEABMM
N[C@@]1(C(=O)[O-])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(Cl)c1	ZINC000242538952	548886970	/nfs/dbraw/zinc/88/69/70/548886970.db2.gz	JJIKVSIYIUJRRX-IIAWOOMASA-N	-1	1	351.811	2.062	40	0		FEABMM
Cc1csc(C(=O)N2CCC[C@@H](c3n[n-]cc3S(C)(=O)=O)C2)c1	ZINC000257320237	549727875	/nfs/dbraw/zinc/72/78/75/549727875.db2.gz	VVWWZHVMJQROPT-LLVKDONJSA-N	-1	1	353.469	2.203	40	0		FEABMM
Cc1csc(C(=O)N2CCC[C@@H](c3[n-]ncc3S(C)(=O)=O)C2)c1	ZINC000257320237	549727878	/nfs/dbraw/zinc/72/78/78/549727878.db2.gz	VVWWZHVMJQROPT-LLVKDONJSA-N	-1	1	353.469	2.203	40	0		FEABMM
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)c1	ZINC000003620987	539372298	/nfs/dbraw/zinc/37/22/98/539372298.db2.gz	XZEBAWDDXBQABY-UHFFFAOYSA-N	-1	1	360.435	2.268	40	0		FEABMM
O=C(c1cccnc1)N1CCC[C@H](c2cc(=O)[n-]c(-c3cnccn3)n2)C1	ZINC000013266149	539584878	/nfs/dbraw/zinc/58/48/78/539584878.db2.gz	XYKUFDFSESYDTC-AWEZNQCLSA-N	-1	1	362.393	2.054	40	0		FEABMM
CCCc1c(COC)nc(N2CCN(c3cccc(OC)c3)CC2)[n-]c1=O	ZINC000022448536	539695238	/nfs/dbraw/zinc/69/52/38/539695238.db2.gz	GXSMBLNUDGPBCZ-UHFFFAOYSA-N	-1	1	372.469	2.204	40	0		FEABMM
CC[C@@H](C)N1C(=O)[N-]C(=O)[C@@]2(Cc3cccc(F)c3N3CCC[C@@H]32)C1=O	ZINC000008974694	207253409	/nfs/dbraw/zinc/25/34/09/207253409.db2.gz	IMYDKAGNDDQJCW-LCCAYYTGSA-N	-1	1	359.401	2.214	40	0		FEABMM
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(N)C(=O)[O-])cc1	ZINC000218594528	548688895	/nfs/dbraw/zinc/68/88/95/548688895.db2.gz	TXHSFSZKJDXHRF-INMHGKMJSA-N	-1	1	365.838	2.370	40	0		FEABMM
O=C1[N-]C(=O)C(CCOc2ccccc2)(CCc2ccccc2)C(=O)N1	ZINC000005851777	207119751	/nfs/dbraw/zinc/11/97/51/207119751.db2.gz	GUSYDJHMDHKRFC-UHFFFAOYSA-N	-1	1	352.390	2.441	40	0		FEABMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1	ZINC000006316343	207137116	/nfs/dbraw/zinc/13/71/16/207137116.db2.gz	AUYYXFVHTLZORB-UHFFFAOYSA-N	-1	1	373.478	2.183	40	0		FEABMM
Cc1nc(-c2ccccc2)[n-]c(=O)c1CC(=O)N[C@H](C)Cc1ccccn1	ZINC000019579512	207687840	/nfs/dbraw/zinc/68/78/40/207687840.db2.gz	VUAPCQNBFXXDAZ-CQSZACIVSA-N	-1	1	362.433	2.430	40	0		FEABMM
CC(C)(C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccc2c(c1)OCCO2	ZINC000578888630	571281367	/nfs/dbraw/zinc/28/13/67/571281367.db2.gz	IPFBFIWPLZGHQV-GFCCVEGCSA-N	-1	1	373.409	2.230	40	0		FEABMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(O)c(OC)c1)CC(=O)N2	ZINC000004944393	539396437	/nfs/dbraw/zinc/39/64/37/539396437.db2.gz	FVDSFDGBHHQQGM-JTQLQIEISA-N	-1	1	361.423	2.460	40	0		FEABMM
Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1	ZINC000004864530	539394707	/nfs/dbraw/zinc/39/47/07/539394707.db2.gz	ABTPWJHVZOPVRF-UHFFFAOYSA-N	-1	1	360.439	2.058	40	0		FEABMM
Cc1nnc([N-]c2cccc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)s1	ZINC000072375977	541803426	/nfs/dbraw/zinc/80/34/26/541803426.db2.gz	GKHIWNBNIWRWRJ-LLVKDONJSA-N	-1	1	353.473	2.124	40	0		FEABMM
COCCOC(=O)NC(=S)[N-]c1ccc2c(c1)N(C(C)=O)[C@@H](C)C2	ZINC000005336290	207094442	/nfs/dbraw/zinc/09/44/42/207094442.db2.gz	YLCCLAPQQNMZNG-JTQLQIEISA-N	-1	1	351.428	2.054	40	0		FEABMM
CCc1n[nH]c([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC)c1C	ZINC000012117044	207339657	/nfs/dbraw/zinc/33/96/57/207339657.db2.gz	BKPPKWJQBZEWDG-UHFFFAOYSA-N	-1	1	350.400	2.009	40	0		FEABMM
CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C(=O)[O-])cc1	ZINC000218617087	548688807	/nfs/dbraw/zinc/68/88/07/548688807.db2.gz	XTWMIXZNVMMWMP-JENIJYKNSA-N	-1	1	359.447	2.279	40	0		FEABMM
N[C@@]1(C(=O)[O-])[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218666125	548690451	/nfs/dbraw/zinc/69/04/51/548690451.db2.gz	NRGBSPNZFPBLLU-DZKIICNBSA-N	-1	1	369.801	2.201	40	0		FEABMM
CCN(Cc1ccccc1)C(=O)C1=C([O-])CC(C)(C)[C@H](C(=O)OC)C1=O	ZINC000100487004	570761259	/nfs/dbraw/zinc/76/12/59/570761259.db2.gz	FRVHIMILJVKLLT-HOTGVXAUSA-N	-1	1	359.422	2.009	40	0		FEABMM
Cc1ccc(C(=O)N2CCN(C)CC2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000010112925	207295172	/nfs/dbraw/zinc/29/51/72/207295172.db2.gz	RIKQUPZXMQIMII-UHFFFAOYSA-N	-1	1	373.478	2.183	40	0		FEABMM
CNC(=O)C=Cc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1	ZINC000223291422	548718543	/nfs/dbraw/zinc/71/85/43/548718543.db2.gz	NWQUADCDQZHOIY-DHZHZOJOSA-N	-1	1	358.419	2.449	40	0		FEABMM
CC(C)OC(=O)[C@@H]1[C@H](c2ccc(N(C)C)cc2)c2c([n-][nH]c2=O)C[C@]1(C)O	ZINC000252587385	549675276	/nfs/dbraw/zinc/67/52/76/549675276.db2.gz	XUDVSBBARMDEJE-SYNHAJSKSA-N	-1	1	373.453	2.188	40	0		FEABMM
O=C([O-])c1ccccc1-n1cc(C[N@H+]2CC[C@H](Cc3ncccn3)C2)cn1	ZINC000257200029	549716576	/nfs/dbraw/zinc/71/65/76/549716576.db2.gz	ABRWSOJCFJGJBC-OAHLLOKOSA-N	-1	1	363.421	2.425	40	0		FEABMM
C[C@@]1(C(N)=O)CN(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CCO1	ZINC000257303523	549726184	/nfs/dbraw/zinc/72/61/84/549726184.db2.gz	SHOUXEGEYGXHQX-FQEVSTJZSA-N	-1	1	354.406	2.128	40	0		FEABMM
Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2N(C)C)n(C)c(=O)n3C)cc1	ZINC000408526177	558685774	/nfs/dbraw/zinc/68/57/74/558685774.db2.gz	ACTSXBKVAOEEII-UHFFFAOYSA-N	-1	1	374.466	2.052	40	0		FEABMM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl	ZINC000408592021	558687703	/nfs/dbraw/zinc/68/77/03/558687703.db2.gz	NFJJXZGZPWCZAJ-UHFFFAOYSA-N	-1	1	354.815	2.266	40	0		FEABMM
O=C([O-])CC[C@@H](c1ccccc1)N1CCN(C(=O)c2cccnc2)CC1	ZINC000408612488	558688005	/nfs/dbraw/zinc/68/80/05/558688005.db2.gz	WDZUWQUBOSETJJ-SFHVURJKSA-N	-1	1	353.422	2.446	40	0		FEABMM
Cc1nc2[n-]cnn2c(=O)c1CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2	ZINC000019577141	539662315	/nfs/dbraw/zinc/66/23/15/539662315.db2.gz	WYOJWIOSUVXPJT-LBPRGKRZSA-N	-1	1	365.437	2.025	40	0		FEABMM
COc1cccc(CN2CCc3nc4cc(C)[n-]n4c(=O)c3CC2)c1F	ZINC000100769184	209217760	/nfs/dbraw/zinc/21/77/60/209217760.db2.gz	HMWABPZJYNNSRA-UHFFFAOYSA-N	-1	1	356.401	2.492	40	0		FEABMM
CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cncc([O-])c3)CC[C@H]21	ZINC000257205601	549718063	/nfs/dbraw/zinc/71/80/63/549718063.db2.gz	AZULPGFVRHMBFB-VAMGGRTRSA-N	-1	1	365.433	2.264	40	0		FEABMM
COCCCNC(=O)Cn1cc(C=C2SC(=O)[N-]C2=O)c2ccccc21	ZINC000409145497	570732917	/nfs/dbraw/zinc/73/29/17/570732917.db2.gz	QNPWAOUKHYQFHS-DHDCSXOGSA-N	-1	1	373.434	2.118	40	0		FEABMM
COCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1	ZINC000010333451	539516264	/nfs/dbraw/zinc/51/62/64/539516264.db2.gz	MLLLGEKNGMOEBF-UHFFFAOYSA-N	-1	1	362.451	2.480	40	0		FEABMM
CC(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1cccs1)CC2	ZINC000019017173	539650739	/nfs/dbraw/zinc/65/07/39/539650739.db2.gz	NTQXRVGJCZKFLA-AWEZNQCLSA-N	-1	1	372.450	2.126	40	0		FEABMM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1	ZINC000223797767	548725122	/nfs/dbraw/zinc/72/51/22/548725122.db2.gz	JMKHHEJGKJLIRE-UHFFFAOYSA-N	-1	1	363.391	2.369	40	0		FEABMM
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@]2(N)C(=O)[O-])cc1	ZINC000252516529	549672020	/nfs/dbraw/zinc/67/20/20/549672020.db2.gz	TXHSFSZKJDXHRF-ZMSDIMECSA-N	-1	1	365.838	2.370	40	0		FEABMM
O=C([O-])c1ccccc1-n1cc(C[N@H+]2CC[C@@H](Cc3ncccn3)C2)cn1	ZINC000257200028	549716881	/nfs/dbraw/zinc/71/68/81/549716881.db2.gz	ABRWSOJCFJGJBC-HNNXBMFYSA-N	-1	1	363.421	2.425	40	0		FEABMM
Cc1ccc(C(=O)N2CCC[C@H](c3n[n-]cc3S(C)(=O)=O)C2)s1	ZINC000257203342	549717938	/nfs/dbraw/zinc/71/79/38/549717938.db2.gz	APOWCNHDCIICMR-NSHDSACASA-N	-1	1	353.469	2.203	40	0		FEABMM
Cc1ccc(C(=O)N2CCC[C@H](c3[n-]ncc3S(C)(=O)=O)C2)s1	ZINC000257203342	549717945	/nfs/dbraw/zinc/71/79/45/549717945.db2.gz	APOWCNHDCIICMR-NSHDSACASA-N	-1	1	353.469	2.203	40	0		FEABMM
Cc1oc2c(c1C(=O)N1CCO[C@H](c3nc(C)cc(=O)[n-]3)C1)CCCC2	ZINC000257228174	549720105	/nfs/dbraw/zinc/72/01/05/549720105.db2.gz	FSQWJKKLVCIEPE-HNNXBMFYSA-N	-1	1	357.410	2.485	40	0		FEABMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)c(OC)c1)CC(=O)N2	ZINC000004944344	539396938	/nfs/dbraw/zinc/39/69/38/539396938.db2.gz	AJYPYCJROMWOPJ-SNVBAGLBSA-N	-1	1	361.423	2.373	40	0		FEABMM
O=C(c1ccco1)N1CCC(c2cc(=O)[n-]c(-c3ccccn3)n2)CC1	ZINC000019402903	539657055	/nfs/dbraw/zinc/65/70/55/539657055.db2.gz	ZYTMRWXKLFTSSZ-UHFFFAOYSA-N	-1	1	350.378	2.445	40	0		FEABMM
Cc1ccccc1CC(=O)N1CCc2nc(-c3cnccn3)[n-]c(=O)c2C1	ZINC000012258430	207351351	/nfs/dbraw/zinc/35/13/51/207351351.db2.gz	KDZAJRQZXZRXCX-UHFFFAOYSA-N	-1	1	361.405	2.075	40	0		FEABMM
N[C@@]1(C(=O)[O-])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000225665010	548740841	/nfs/dbraw/zinc/74/08/41/548740841.db2.gz	JOUCWNPHJYAEHM-DZKIICNBSA-N	-1	1	351.811	2.062	40	0		FEABMM
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)C(=O)[O-])cc1	ZINC000242722749	548887167	/nfs/dbraw/zinc/88/71/67/548887167.db2.gz	XTWMIXZNVMMWMP-AOIWGVFYSA-N	-1	1	359.447	2.279	40	0		FEABMM
CC[C@H](C)Oc1c(Cl)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OC	ZINC000010130212	539513544	/nfs/dbraw/zinc/51/35/44/539513544.db2.gz	XRCWADMRLREHST-QMMMGPOBSA-N	-1	1	368.842	2.440	40	0		FEABMM
CCCn1c2nnc([S-])n2c2cc(C(=O)N[C@@H](C)CC)ccc2c1=O	ZINC000021730266	211323538	/nfs/dbraw/zinc/32/35/38/211323538.db2.gz	WVBLEKKOFZOQMX-JTQLQIEISA-N	-1	1	359.455	2.271	40	0		FEABMM
COc1ccc(C2=CCN(CCn3cccc(C(=O)[O-])c3=O)CC2)cc1	ZINC000257201262	533429902	/nfs/dbraw/zinc/42/99/02/533429902.db2.gz	AGYCGLZNCVKUPB-UHFFFAOYSA-N	-1	1	354.406	2.344	40	0		FEABMM
CCCCc1ncc(CN2C[C@@H](O)[C@H](Oc3ccc(C(=O)[O-])cc3)C2)[nH]1	ZINC000257286246	529040048	/nfs/dbraw/zinc/04/00/48/529040048.db2.gz	PKWPPHYWVGYWLS-IAGOWNOFSA-N	-1	1	359.426	2.075	40	0		FEABMM
N[C@@]1(C(=O)[O-])[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218061857	548684788	/nfs/dbraw/zinc/68/47/88/548684788.db2.gz	AMKRFJXITVXSSX-DZKIICNBSA-N	-1	1	351.811	2.062	40	0		FEABMM
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(N)C(=O)[O-])cc1	ZINC000218593696	548688965	/nfs/dbraw/zinc/68/89/65/548688965.db2.gz	KTHITLFOFMQOCQ-VYDXJSESSA-N	-1	1	365.838	2.370	40	0		FEABMM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)cc1	ZINC000223320262	548719232	/nfs/dbraw/zinc/71/92/32/548719232.db2.gz	HXAXVPKQCXNJMO-UHFFFAOYSA-N	-1	1	361.379	2.189	40	0		FEABMM
CC[C@@H](Sc1nc(-c2cc(OC)c(OC)c(OC)c2)n[nH]1)C(=O)[O-]	ZINC000224975559	548730733	/nfs/dbraw/zinc/73/07/33/548730733.db2.gz	CGCBVFXRFKBTPF-LLVKDONJSA-N	-1	1	353.400	2.453	40	0		FEABMM
C/C=C/[C@H]1C=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@]1(C)C(=O)C1=C([O-])[C@H](CO)N(C)C1=O	ZINC000575623571	571173488	/nfs/dbraw/zinc/17/34/88/571173488.db2.gz	JTDBLZHVKWRMGZ-IJSJDRDLSA-N	-1	1	373.493	2.395	40	0	in-vitro	FEABMM
C/C=C/[C@H]1C=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@]1(C)C([O-])=C1C(=O)[C@H](CO)N(C)C1=O	ZINC000575623571	571173490	/nfs/dbraw/zinc/17/34/90/571173490.db2.gz	JTDBLZHVKWRMGZ-IJSJDRDLSA-N	-1	1	373.493	2.395	40	0	in-vitro	FEABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1OC	ZINC000010515573	539517617	/nfs/dbraw/zinc/51/76/17/539517617.db2.gz	IZRVMDUESROWDD-UHFFFAOYSA-N	-1	1	364.423	2.206	40	0		FEABMM
CSc1ncc(CN2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)cn1	ZINC000012122230	539544772	/nfs/dbraw/zinc/54/47/72/539544772.db2.gz	DHOSWURYKKBDEQ-UHFFFAOYSA-N	-1	1	366.450	2.314	40	0		FEABMM
COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2C)c1	ZINC000024258811	539729115	/nfs/dbraw/zinc/72/91/15/539729115.db2.gz	RJDVKMMBHVOZSU-UHFFFAOYSA-N	-1	1	363.391	2.369	40	0		FEABMM
CCc1nnc([N-]c2cccc([C@@H]3CCCN3C(=O)CNC(C)=O)n2)s1	ZINC000072375385	541802889	/nfs/dbraw/zinc/80/28/89/541802889.db2.gz	WIDJBQGGAPKDPY-ZDUSSCGKSA-N	-1	1	374.470	2.039	40	0		FEABMM
Cc1cnc(-c2nc3c(c(=O)[n-]2)CCN(Cc2cccc(F)c2F)C3)cn1	ZINC000019239061	211210106	/nfs/dbraw/zinc/21/01/06/211210106.db2.gz	VXUFKCGRQZLWSD-UHFFFAOYSA-N	-1	1	369.375	2.372	40	0		FEABMM
CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)c2c(=O)[nH][n-]c2C[C@@]1(C)O	ZINC000006667963	210686614	/nfs/dbraw/zinc/68/66/14/210686614.db2.gz	CUKIFGKQPMIJLC-SUYBPPKGSA-N	-1	1	350.802	2.387	40	0		FEABMM
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)C(=O)[O-])cc1	ZINC000242722750	548886599	/nfs/dbraw/zinc/88/65/99/548886599.db2.gz	XTWMIXZNVMMWMP-LMMKCTJWSA-N	-1	1	359.447	2.279	40	0		FEABMM
N[C@]1(C(=O)[O-])[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000252513868	549672183	/nfs/dbraw/zinc/67/21/83/549672183.db2.gz	AMKRFJXITVXSSX-SQWLQELKSA-N	-1	1	351.811	2.062	40	0		FEABMM
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@]2(N)C(=O)[O-])cc1	ZINC000252516528	549672222	/nfs/dbraw/zinc/67/22/22/549672222.db2.gz	TXHSFSZKJDXHRF-BFYDXBDKSA-N	-1	1	365.838	2.370	40	0		FEABMM
[O-]c1c(I)cc(O)cc1I	ZINC000005783951	210179866	/nfs/dbraw/zinc/17/98/66/210179866.db2.gz	TXLWEPPRCDCHRB-UHFFFAOYSA-N	-1	1	361.904	2.307	40	0		FEABMM
C[C@H]1CCCN(S(=O)(=O)c2csc(C(=O)[N-]c3ccon3)c2)C1	ZINC000006680918	539433734	/nfs/dbraw/zinc/43/37/34/539433734.db2.gz	DCRIPFQANUAYCZ-JTQLQIEISA-N	-1	1	355.441	2.409	40	0		FEABMM
CCOC(=O)COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC	ZINC000006954775	539442933	/nfs/dbraw/zinc/44/29/33/539442933.db2.gz	ROUITTNTRFOQTH-KPKJPENVSA-N	-1	1	353.421	2.126	40	0		FEABMM
N[C@]1(C(=O)[O-])[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218665914	548688936	/nfs/dbraw/zinc/68/89/36/548688936.db2.gz	NRGBSPNZFPBLLU-IJEWVQPXSA-N	-1	1	369.801	2.201	40	0		FEABMM
CNS(=O)(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000222985889	548714726	/nfs/dbraw/zinc/71/47/26/548714726.db2.gz	VPCAHGFIVOVOQM-UHFFFAOYSA-N	-1	1	374.871	2.357	40	0		FEABMM
CSc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(N)=O)cc1	ZINC000223299031	548718532	/nfs/dbraw/zinc/71/85/32/548718532.db2.gz	SBDKZUIBQYKTSK-UHFFFAOYSA-N	-1	1	352.437	2.073	40	0		FEABMM
N[C@]1(C(=O)[O-])[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000242648544	548886910	/nfs/dbraw/zinc/88/69/10/548886910.db2.gz	QYYFDYJFNAXTSX-SQWLQELKSA-N	-1	1	369.801	2.201	40	0		FEABMM
CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1	ZINC000408586098	558687176	/nfs/dbraw/zinc/68/71/76/558687176.db2.gz	AFEMXXZSFSBRGG-UHFFFAOYSA-N	-1	1	364.423	2.011	40	0		FEABMM
COCCC(=O)N1CCC[C@H](c2nccnc2[N-]c2nc(C)cc(C)n2)C1	ZINC000072362412	541802009	/nfs/dbraw/zinc/80/20/09/541802009.db2.gz	MAXBNXPNTZZRBQ-HNNXBMFYSA-N	-1	1	370.457	2.370	40	0		FEABMM
O=c1[n-]c(-c2ccccn2)nc2c1CCN(Cc1cccc3nccnc13)C2	ZINC000019402340	211220531	/nfs/dbraw/zinc/22/05/31/211220531.db2.gz	KFIWFOFVXHUSNV-UHFFFAOYSA-N	-1	1	370.416	2.333	40	0		FEABMM
COc1ccc(C)cc1CN1CCc2c(nc(-c3cnccn3)[n-]c2=O)C1	ZINC000019133572	211203087	/nfs/dbraw/zinc/20/30/87/211203087.db2.gz	FVZTXXQZENWNRT-UHFFFAOYSA-N	-1	1	363.421	2.102	40	0		FEABMM
COc1cc(/C=C2/NC(=S)[N-]C2=O)ccc1OC(=O)c1cccs1	ZINC000001053961	210309671	/nfs/dbraw/zinc/30/96/71/210309671.db2.gz	NJVJKBLSZWEMRB-JXMROGBWSA-N	-1	1	360.416	2.321	40	0		FEABMM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2[nH]c1=O	ZINC000100065433	222234612	/nfs/dbraw/zinc/23/46/12/222234612.db2.gz	ZGVKUNDWNAKYCC-UHFFFAOYSA-N	-1	1	367.386	2.170	40	0		FEABMM
COCCc1ncc(CN[C@@H](c2cc(=O)n3[n-]c(C)cc3n2)C(C)C)cn1	ZINC000100217731	222239848	/nfs/dbraw/zinc/23/98/48/222239848.db2.gz	ZXSSMHGOEKDNAU-LJQANCHMSA-N	-1	1	370.457	2.209	40	0		FEABMM
CO[C@H]1CC[C@H](C(=O)N2CCc3nc(N4CCCCC4)[n-]c(=O)c3C2)CC1	ZINC000257241332	549720893	/nfs/dbraw/zinc/72/08/93/549720893.db2.gz	HXRHSLJLUNUJIR-SHTZXODSSA-N	-1	1	374.485	2.262	40	0		FEABMM
CCc1nnc([N-]C(=O)c2cc(S(=O)(=O)N(CC)CC)cs2)s1	ZINC000006680408	539433885	/nfs/dbraw/zinc/43/38/85/539433885.db2.gz	ZSWLXFHJLZQDSN-UHFFFAOYSA-N	-1	1	374.513	2.445	40	0		FEABMM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1OC	ZINC000010008900	539510747	/nfs/dbraw/zinc/51/07/47/539510747.db2.gz	KEZAVHUYCSBGOD-UHFFFAOYSA-N	-1	1	352.387	2.385	40	0		FEABMM
CN(C)C(=O)[C@@H]1CCN(Cc2ncc(-c3ccccc3C(=O)[O-])s2)C1	ZINC000257250450	223037751	/nfs/dbraw/zinc/03/77/51/223037751.db2.gz	JMORYPVHNGUBQL-GFCCVEGCSA-N	-1	1	359.451	2.418	40	0		FEABMM
N[C@]1(C(=O)[O-])[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218666048	548690064	/nfs/dbraw/zinc/69/00/64/548690064.db2.gz	NRGBSPNZFPBLLU-OFQRWUPVSA-N	-1	1	369.801	2.201	40	0		FEABMM
CC[C@H](Sc1nc(-c2cc(OC)c(OC)c(OC)c2)n[nH]1)C(=O)[O-]	ZINC000224975595	548730480	/nfs/dbraw/zinc/73/04/80/548730480.db2.gz	CGCBVFXRFKBTPF-NSHDSACASA-N	-1	1	353.400	2.453	40	0		FEABMM
N[C@]1(C(=O)[O-])[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1	ZINC000252515399	549671964	/nfs/dbraw/zinc/67/19/64/549671964.db2.gz	JOUCWNPHJYAEHM-SQWLQELKSA-N	-1	1	351.811	2.062	40	0		FEABMM
CCn1nc(C(C)C)cc1C(=O)N1CCO[C@H](c2nc(C)cc(=O)[n-]2)C1	ZINC000257283097	223049555	/nfs/dbraw/zinc/04/95/55/223049555.db2.gz	OWTDCDFWHGOSJU-HNNXBMFYSA-N	-1	1	359.430	2.044	40	0		FEABMM
Cc1ccc(CC(=O)N2CCc3nc(-c4cnccn4)[n-]c(=O)c3C2)cc1	ZINC000012258412	210935672	/nfs/dbraw/zinc/93/56/72/210935672.db2.gz	YBONSYVNUPQDTG-UHFFFAOYSA-N	-1	1	361.405	2.075	40	0		FEABMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(O)c(OC)c1)CC(=O)N2	ZINC000004944392	219630144	/nfs/dbraw/zinc/63/01/44/219630144.db2.gz	FVDSFDGBHHQQGM-SNVBAGLBSA-N	-1	1	361.423	2.460	40	0		FEABMM
O=C([N-]N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)c1ccc(Cl)cc1Cl	ZINC000017835631	211188922	/nfs/dbraw/zinc/18/89/22/211188922.db2.gz	HSZNSVLYPJLCRF-XXHBBNRNSA-N	-1	1	351.189	2.445	40	0		FEABMM
N[C@@]1(C(=O)[O-])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218593066	548689028	/nfs/dbraw/zinc/68/90/28/548689028.db2.gz	JJIKVSIYIUJRRX-YCPHGPKFSA-N	-1	1	351.811	2.062	40	0		FEABMM
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(N)C(=O)[O-])cc1	ZINC000218594680	548689229	/nfs/dbraw/zinc/68/92/29/548689229.db2.gz	TXHSFSZKJDXHRF-UXLLHSPISA-N	-1	1	365.838	2.370	40	0		FEABMM
N[C@@]1(C(=O)[O-])[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218666793	548690746	/nfs/dbraw/zinc/69/07/46/548690746.db2.gz	QYYFDYJFNAXTSX-DZKIICNBSA-N	-1	1	369.801	2.201	40	0		FEABMM
N[C@]1(C(=O)[O-])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000225665098	548739973	/nfs/dbraw/zinc/73/99/73/548739973.db2.gz	JOUCWNPHJYAEHM-IJEWVQPXSA-N	-1	1	351.811	2.062	40	0		FEABMM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1	ZINC000007323154	539455317	/nfs/dbraw/zinc/45/53/17/539455317.db2.gz	SHIYGEOCUBSVLX-UHFFFAOYSA-N	-1	1	373.434	2.355	40	0		FEABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1F	ZINC000032589417	539943668	/nfs/dbraw/zinc/94/36/68/539943668.db2.gz	VZASWECQXWPSEM-UHFFFAOYSA-N	-1	1	352.387	2.337	40	0		FEABMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(COC)c2)ccc1OC	ZINC000224222170	548727464	/nfs/dbraw/zinc/72/74/64/548727464.db2.gz	QFMPCNUVVDSCJQ-UHFFFAOYSA-N	-1	1	364.423	2.002	40	0		FEABMM
CCc1nc(SC(=Cc2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)[O-])n[nH]1	ZINC000213409425	571307627	/nfs/dbraw/zinc/30/76/27/571307627.db2.gz	ASUHADOCVMEJOZ-OQZOHAQUSA-N	-1	1	371.422	2.467	40	0		FEABMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2	ZINC000004944452	539396905	/nfs/dbraw/zinc/39/69/05/539396905.db2.gz	BMMLLGBGEXRBOH-SNVBAGLBSA-N	-1	1	359.407	2.475	40	0		FEABMM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1	ZINC000007323299	539455055	/nfs/dbraw/zinc/45/50/55/539455055.db2.gz	HPYFNEBFFNYLSA-UHFFFAOYSA-N	-1	1	373.434	2.355	40	0		FEABMM
Cc1ccn2cc(C(=O)N[C@@H](C)c3cc(=O)[n-]c(-c4ccccn4)n3)nc2c1	ZINC000019238186	220243439	/nfs/dbraw/zinc/24/34/39/220243439.db2.gz	UJBMQHFYNQZJSP-ZDUSSCGKSA-N	-1	1	374.404	2.279	40	0		FEABMM
CCN(Cc1ccccc1)C(=O)C1=C([O-])CC(C)(C)[C@@H](C(=O)OC)C1=O	ZINC000100487005	222245174	/nfs/dbraw/zinc/24/51/74/222245174.db2.gz	FRVHIMILJVKLLT-HZPDHXFCSA-N	-1	1	359.422	2.009	40	0		FEABMM
CC(=O)c1cccc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)c1	ZINC000223337941	548719428	/nfs/dbraw/zinc/71/94/28/548719428.db2.gz	KAVKFVQXWWTSST-UHFFFAOYSA-N	-1	1	360.391	2.443	40	0		FEABMM
Cc1cc(S(=O)(=O)[N-]c2cccc(N(C)S(C)(=O)=O)c2)ccc1F	ZINC000225603107	548739534	/nfs/dbraw/zinc/73/95/34/548739534.db2.gz	HCWUVDHJNNRJAG-UHFFFAOYSA-N	-1	1	372.443	2.331	40	0		FEABMM
Cn1[n-]c(CN2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)nc1=O	ZINC000329609657	553976121	/nfs/dbraw/zinc/97/61/21/553976121.db2.gz	QZKRAFBFNXIOGV-LLVKDONJSA-N	-1	1	357.241	2.459	40	0		FEABMM
CCCn1ccnc1CN1CCCC[C@@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000585182024	571238316	/nfs/dbraw/zinc/23/83/16/571238316.db2.gz	FUPQGNBCMOVUBZ-CYBMUJFWSA-N	-1	1	351.476	2.147	40	0		FEABMM
CCCn1ccnc1CN1CCCC[C@@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000585182024	571238318	/nfs/dbraw/zinc/23/83/18/571238318.db2.gz	FUPQGNBCMOVUBZ-CYBMUJFWSA-N	-1	1	351.476	2.147	40	0		FEABMM
CCc1nc(SC(=Cc2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)[O-])n[nH]1	ZINC000213409379	571307667	/nfs/dbraw/zinc/30/76/67/571307667.db2.gz	ASUHADOCVMEJOZ-AUWXEVLLSA-N	-1	1	371.422	2.467	40	0		FEABMM
CCCCOC(=O)c1ccc(NC(=O)CSc2nccc(=O)[n-]2)cc1	ZINC000008012976	539475031	/nfs/dbraw/zinc/47/50/31/539475031.db2.gz	ZNEXLIKGYNQPMA-UHFFFAOYSA-N	-1	1	361.423	2.458	40	0		FEABMM
COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1	ZINC000028196107	539827438	/nfs/dbraw/zinc/82/74/38/539827438.db2.gz	CZKLUZNWZAUYSF-UHFFFAOYSA-N	-1	1	363.391	2.369	40	0		FEABMM
CCc1c([O-])nc(SCC(=O)Nc2cc(Cl)ccc2OC)[nH]c1=O	ZINC000035310920	539979867	/nfs/dbraw/zinc/97/98/67/539979867.db2.gz	BOLSTZMAUIHWPC-UHFFFAOYSA-N	-1	1	369.830	2.431	40	0		FEABMM
O=C([O-])[C@@H](c1ccc(Br)cc1)N1CCC2(CC1)OCCO2	ZINC000096024387	542987544	/nfs/dbraw/zinc/98/75/44/542987544.db2.gz	BOBXXKQXHHOONM-CYBMUJFWSA-N	-1	1	356.216	2.414	40	0		FEABMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)ccc1C	ZINC000408610115	263480583	/nfs/dbraw/zinc/48/05/83/263480583.db2.gz	UXOVFPKEBZSXAL-UHFFFAOYSA-N	-1	1	364.423	2.173	40	0		FEABMM
Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)[C@@]2(N)C(=O)[O-])cc1	ZINC000218593829	548688830	/nfs/dbraw/zinc/68/88/30/548688830.db2.gz	KTHITLFOFMQOCQ-ZOBUZTSGSA-N	-1	1	365.838	2.370	40	0		FEABMM
CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1	ZINC000223292786	548718001	/nfs/dbraw/zinc/71/80/01/548718001.db2.gz	SWBOAHWJELKWIA-DHZHZOJOSA-N	-1	1	373.434	2.205	40	0		FEABMM
COc1cc(/C=C2/NC(=S)[N-]C2=O)ccc1OC(=O)c1ccccc1F	ZINC000005675514	539414788	/nfs/dbraw/zinc/41/47/88/539414788.db2.gz	HCHGXWQUPPHVCW-MDWZMJQESA-N	-1	1	372.377	2.399	40	0		FEABMM
CCCCc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1	ZINC000013582157	220075957	/nfs/dbraw/zinc/07/59/57/220075957.db2.gz	HGQOXBDGNINDJI-UHFFFAOYSA-N	-1	1	373.434	2.360	40	0		FEABMM
Cc1nc2cc([C@@H]3CCCN(C(=O)c4[nH]ncc4Cl)C3)[n-]n2c(=O)c1C	ZINC000100137738	222237387	/nfs/dbraw/zinc/23/73/87/222237387.db2.gz	VMZYDUOVCAFDNU-LLVKDONJSA-N	-1	1	374.832	2.448	40	0		FEABMM
CCN(Cc1ccccc1)C(=O)C1=C([O-])CC(C)(C)[C@@H](C(=O)OC)C1=O	ZINC000100487009	222245610	/nfs/dbraw/zinc/24/56/10/222245610.db2.gz	FRVHIMILJVKLLT-JKSUJKDBSA-N	-1	1	359.422	2.009	40	0		FEABMM
Cc1csc(C(=O)N2CCC[C@H](c3n[n-]cc3S(C)(=O)=O)C2)c1	ZINC000257320238	534779787	/nfs/dbraw/zinc/77/97/87/534779787.db2.gz	VVWWZHVMJQROPT-NSHDSACASA-N	-1	1	353.469	2.203	40	0		FEABMM
Cc1csc(C(=O)N2CCC[C@H](c3[n-]ncc3S(C)(=O)=O)C2)c1	ZINC000257320238	534779795	/nfs/dbraw/zinc/77/97/95/534779795.db2.gz	VVWWZHVMJQROPT-NSHDSACASA-N	-1	1	353.469	2.203	40	0		FEABMM
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C(=O)[O-])cc1	ZINC000218617019	548689322	/nfs/dbraw/zinc/68/93/22/548689322.db2.gz	XTWMIXZNVMMWMP-ZIFCJYIRSA-N	-1	1	359.447	2.279	40	0		FEABMM
COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c2cccnc12	ZINC000223313341	548718553	/nfs/dbraw/zinc/71/85/53/548718553.db2.gz	KSKUWGLDLDLFFK-UHFFFAOYSA-N	-1	1	371.374	2.479	40	0		FEABMM
CCOC(=O)COc1ccc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc1	ZINC000006326362	539426471	/nfs/dbraw/zinc/42/64/71/539426471.db2.gz	XQDFONVBLXPOAL-JYRVWZFOSA-N	-1	1	363.395	2.273	40	0		FEABMM
CCOC(=O)COc1ccc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc1	ZINC000006326362	539426474	/nfs/dbraw/zinc/42/64/74/539426474.db2.gz	XQDFONVBLXPOAL-JYRVWZFOSA-N	-1	1	363.395	2.273	40	0		FEABMM
Cc1cccc(CC(=O)N2CCc3c(nc(-c4cnccn4)[n-]c3=O)C2)c1	ZINC000012258195	539552447	/nfs/dbraw/zinc/55/24/47/539552447.db2.gz	PWIYRQJSDLHYDU-UHFFFAOYSA-N	-1	1	361.405	2.075	40	0		FEABMM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)ccc1C	ZINC000223799238	222794277	/nfs/dbraw/zinc/79/42/77/222794277.db2.gz	KSBHTHCLTKYRDK-UHFFFAOYSA-N	-1	1	363.391	2.354	40	0		FEABMM
COCCC(=O)N1CCC[C@H]1c1nccnc1[N-]c1nc(C)cc(C)n1	ZINC000072384799	541804216	/nfs/dbraw/zinc/80/42/16/541804216.db2.gz	OOZVKDVZBDEXEW-AWEZNQCLSA-N	-1	1	356.430	2.327	40	0		FEABMM
Cc1nc2[n-]cnn2c(=O)c1CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2	ZINC000019577140	220276402	/nfs/dbraw/zinc/27/64/02/220276402.db2.gz	WYOJWIOSUVXPJT-GFCCVEGCSA-N	-1	1	365.437	2.025	40	0		FEABMM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCN(C(=O)C=Cc2ccccc2)C1	ZINC000257305131	533466599	/nfs/dbraw/zinc/46/65/99/533466599.db2.gz	SONXLUPXPCOXDR-BOLDSZDNSA-N	-1	1	359.451	2.233	40	0		FEABMM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCN(C(=O)C=Cc2ccccc2)C1	ZINC000257305131	533466604	/nfs/dbraw/zinc/46/66/04/533466604.db2.gz	SONXLUPXPCOXDR-BOLDSZDNSA-N	-1	1	359.451	2.233	40	0		FEABMM
COc1cccc([C@@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)c1	ZINC000095101318	542957019	/nfs/dbraw/zinc/95/70/19/542957019.db2.gz	IXQNTJCICKWGPJ-SIXWZSSISA-N	-1	1	360.410	2.131	40	0		FEABMM
N[C@]1(C(=O)[O-])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218593130	548688941	/nfs/dbraw/zinc/68/89/41/548688941.db2.gz	JJIKVSIYIUJRRX-OFQRWUPVSA-N	-1	1	351.811	2.062	40	0		FEABMM
COc1ccc2nc(C[C@H]3CN(C(=O)C4CC4)CC[C@H]3CC(=O)[O-])[nH]c2c1	ZINC000514288432	560035024	/nfs/dbraw/zinc/03/50/24/560035024.db2.gz	FFMDPHBSOGMMHO-KBPBESRZSA-N	-1	1	371.437	2.463	40	0	biogenic,in-vitro	FEABMM
O=C([N-]N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccc(Cl)cc1Cl	ZINC000004188261	539378683	/nfs/dbraw/zinc/37/86/83/539378683.db2.gz	HSZNSVLYPJLCRF-OZVVPTBGSA-N	-1	1	351.189	2.445	40	0		FEABMM
CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)c2c(=O)[nH][n-]c2C[C@@]1(C)O	ZINC000006667965	539433959	/nfs/dbraw/zinc/43/39/59/539433959.db2.gz	CUKIFGKQPMIJLC-DXCKQFNASA-N	-1	1	350.802	2.387	40	0		FEABMM
O=C(c1ccncc1)N1CCC(c2cc(=O)[n-]c(-c3ccccn3)n2)CC1	ZINC000019402910	220256305	/nfs/dbraw/zinc/25/63/05/220256305.db2.gz	RDGJBOBCFDICOI-UHFFFAOYSA-N	-1	1	361.405	2.247	40	0		FEABMM
COc1ccc([C@@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1	ZINC000095101350	542956676	/nfs/dbraw/zinc/95/66/76/542956676.db2.gz	HVZJRELUYWVPSK-SIXWZSSISA-N	-1	1	360.410	2.131	40	0		FEABMM
CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1	ZINC000223271653	548718470	/nfs/dbraw/zinc/71/84/70/548718470.db2.gz	QXXBFTYGUBZIDT-UHFFFAOYSA-N	-1	1	362.407	2.241	40	0		FEABMM
O=C(c1ccncc1)N1CCC[C@H](c2cc(=O)[n-]c(-c3cnccn3)n2)C1	ZINC000013268185	220062413	/nfs/dbraw/zinc/06/24/13/220062413.db2.gz	HGGZGFQQJKAWMT-AWEZNQCLSA-N	-1	1	362.393	2.054	40	0		FEABMM
CC(C)OC(=O)[C@@H]1[C@H](c2ccc(N(C)C)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O	ZINC000095101366	542956936	/nfs/dbraw/zinc/95/69/36/542956936.db2.gz	XUDVSBBARMDEJE-OXFYSEKESA-N	-1	1	373.453	2.188	40	0		FEABMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1	ZINC000010515275	539517927	/nfs/dbraw/zinc/51/79/27/539517927.db2.gz	AVPFDNAIHRPCOA-UHFFFAOYSA-N	-1	1	361.423	2.148	40	0		FEABMM
Cc1cc(=O)[n-]c([C@@H]2CN(C(=O)c3ccc4ncccc4c3)CCO2)n1	ZINC000257224156	223026854	/nfs/dbraw/zinc/02/68/54/223026854.db2.gz	FANOMFONZCEGGX-INIZCTEOSA-N	-1	1	350.378	2.253	40	0		FEABMM
Cc1cc(=O)[n-]c([C@@H]2CN(C(=O)c3cnc4ccccc4c3)CCO2)n1	ZINC000257295259	223055319	/nfs/dbraw/zinc/05/53/19/223055319.db2.gz	QXPWNWJDUWFCLB-INIZCTEOSA-N	-1	1	350.378	2.253	40	0		FEABMM
Cc1nc(-c2ccccc2)[n-]c(=O)c1CC(=O)N[C@@H](C)Cc1ccccn1	ZINC000019579509	220275607	/nfs/dbraw/zinc/27/56/07/220275607.db2.gz	VUAPCQNBFXXDAZ-AWEZNQCLSA-N	-1	1	362.433	2.430	40	0		FEABMM
CCCn1c2nnc([S-])n2c2cc(C(=O)N[C@H](C)CC)ccc2c1=O	ZINC000021730271	220366091	/nfs/dbraw/zinc/36/60/91/220366091.db2.gz	WVBLEKKOFZOQMX-SNVBAGLBSA-N	-1	1	359.455	2.271	40	0		FEABMM
Cc1cc(=O)[n-]c([C@H]2CN(C(=O)c3cnc4ccccc4c3)CCO2)n1	ZINC000257295260	534019128	/nfs/dbraw/zinc/01/91/28/534019128.db2.gz	QXPWNWJDUWFCLB-MRXNPFEDSA-N	-1	1	350.378	2.253	40	0		FEABMM
COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)c2cccnc12	ZINC000223281860	548718509	/nfs/dbraw/zinc/71/85/09/548718509.db2.gz	XMXSEHAKTPWOCD-UHFFFAOYSA-N	-1	1	371.418	2.452	40	0		FEABMM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2SC)cc1	ZINC000223279262	548718529	/nfs/dbraw/zinc/71/85/29/548718529.db2.gz	QDGHDBVSQJLEPV-UHFFFAOYSA-N	-1	1	366.464	2.334	40	0		FEABMM
N[C@@]1(C(=O)[O-])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000252515398	549671912	/nfs/dbraw/zinc/67/19/12/549671912.db2.gz	JOUCWNPHJYAEHM-IIAWOOMASA-N	-1	1	351.811	2.062	40	0		FEABMM
COc1cc(OC)c(OC)cc1C=C(Sc1nnc(C)[nH]1)C(=O)[O-]	ZINC000008272168	539481805	/nfs/dbraw/zinc/48/18/05/539481805.db2.gz	OPEWONYGSAFMKI-MLPAPPSSSA-N	-1	1	351.384	2.357	40	0		FEABMM
COc1cc(OC)c(OC)cc1C=C(Sc1n[nH]c(C)n1)C(=O)[O-]	ZINC000008272168	539481807	/nfs/dbraw/zinc/48/18/07/539481807.db2.gz	OPEWONYGSAFMKI-MLPAPPSSSA-N	-1	1	351.384	2.357	40	0		FEABMM
Cc1cc(=O)[n-]c([C@@H]2CN(Cc3c[nH]nc3-c3ccccc3)CCO2)n1	ZINC000257240195	223033144	/nfs/dbraw/zinc/03/31/44/223033144.db2.gz	HSMWQVIBCMCXJZ-INIZCTEOSA-N	-1	1	351.410	2.454	40	0		FEABMM
Cn1cncc1CN1CCC[C@H](Cc2cc([N-]c3nncs3)ncn2)C1	ZINC000257268300	223044182	/nfs/dbraw/zinc/04/41/82/223044182.db2.gz	MLBGPZBEQSFFFK-CYBMUJFWSA-N	-1	1	370.486	2.260	40	0		FEABMM
COc1cccc([C@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)C)c1	ZINC000095101321	542956848	/nfs/dbraw/zinc/95/68/48/542956848.db2.gz	IXQNTJCICKWGPJ-ZSZQSSIHSA-N	-1	1	360.410	2.131	40	0		FEABMM
COc1ccc([C@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1	ZINC000095101352	542956979	/nfs/dbraw/zinc/95/69/79/542956979.db2.gz	HVZJRELUYWVPSK-URLQWDBASA-N	-1	1	360.410	2.131	40	0		FEABMM
Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C(=O)[O-])cc1	ZINC000218631177	548688738	/nfs/dbraw/zinc/68/87/38/548688738.db2.gz	WOPXPTNWOGZEJA-HLLBOEOZSA-N	-1	1	365.838	2.370	40	0		FEABMM