smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@H]2CC(=O)NC(NC(=O)c3cccc(N(C)C)c3)=N2)cc1	ZINC000020924740	539678522	/nfs/dbraw/zinc/67/85/22/539678522.db2.gz	JAZFTFPOCVJKGS-QGZVFWFLSA-N	0	0	366.421	2.108	10	10		FECERN
COc1ccc(/C=C2/SC(=S)N(N3CCOCC3)C2=O)c(OC)c1	ZINC000002331286	204033661	/nfs/dbraw/zinc/03/36/61/204033661.db2.gz	SYQWJOODSYJNNZ-NTEUORMPSA-N	0	0	366.464	2.152	10	10		FECERN
COc1cc2c(c(O)c1O)-c1ccc(OC)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000005160392	204196228	/nfs/dbraw/zinc/19/62/28/204196228.db2.gz	QCOIAAVYXNEUDX-CQSZACIVSA-N	0	0	371.389	2.266	10	10		FECERN
CCOc1ccc(/C=C2\SC(=S)N(NC(C)=O)C2=O)cc1OC	ZINC000040867533	205083544	/nfs/dbraw/zinc/08/35/44/205083544.db2.gz	QDRWQJUKDZVVLE-JYRVWZFOSA-N	0	0	352.437	2.346	10	10		FECERN
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1CN(C)CCO1	ZINC000105280863	543168670	/nfs/dbraw/zinc/16/86/70/543168670.db2.gz	SSJIBDAQWKZFRP-IBGZPJMESA-N	0	0	360.502	2.149	10	10		FECERN
CC(C)c1nc2c(n1C)CCN(CC(=O)NCc1ccc(N(C)C)cc1)C2	ZINC000106373249	543227244	/nfs/dbraw/zinc/22/72/44/543227244.db2.gz	BHSVWCASAPVISK-UHFFFAOYSA-N	0	0	369.513	2.284	10	10		FECERN
CN1C(=O)C[C@H](C(=O)NCCc2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1	ZINC000122806851	543724994	/nfs/dbraw/zinc/72/49/94/543724994.db2.gz	SHEWRGZDMKCALZ-KXBFYZLASA-N	0	0	372.396	2.115	10	10		FECERN
CCc1nc2n(n1)C[C@H](NC(=O)NCc1c(O)ccc3c1CCCC3)CC2	ZINC000174969743	546305254	/nfs/dbraw/zinc/30/52/54/546305254.db2.gz	YCBLYOGRZCGHDP-CQSZACIVSA-N	0	0	369.469	2.239	10	10		FECERN
CCCn1cc(CN2CCCN(C(=O)c3cccc(O)c3O)CC2)cn1	ZINC000193026134	548377924	/nfs/dbraw/zinc/37/79/24/548377924.db2.gz	PCYUWAMHQSFCNH-UHFFFAOYSA-N	0	0	358.442	2.052	10	10		FECERN
O=C(NCCCSc1nccs1)N1CCC[C@@H](n2cncn2)C1	ZINC000154603265	672218697	/nfs/dbraw/zinc/21/86/97/672218697.db2.gz	IILBIWUEDRDURU-GFCCVEGCSA-N	0	0	352.489	2.264	10	10		FECERN
Nc1ccc(O)c2c1C(=O)c1c(O)c(-c3ccc(O)cc3)cc(N)c1C2=O	ZINC000005420915	204208334	/nfs/dbraw/zinc/20/83/34/204208334.db2.gz	MOLVDYADKVCUCB-UHFFFAOYSA-N	0	0	362.341	2.410	10	10		FECERN
COC(=O)CN(Cc1c(C)nn(C)c1OC)Cc1cc(Cl)ccc1O	ZINC000093277110	542922928	/nfs/dbraw/zinc/92/29/28/542922928.db2.gz	HIZKPPKWISGQPA-UHFFFAOYSA-N	0	0	367.833	2.271	10	10		FECERN
COc1cc(Br)cc(CN2CCC[C@H](NC(C)=O)C2)c1O	ZINC000153834094	672205445	/nfs/dbraw/zinc/20/54/45/672205445.db2.gz	FPXQQOYVMBIONF-ZDUSSCGKSA-N	0	0	357.248	2.264	10	10		FECERN
CN(C)c1ccc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1	ZINC000041084958	540012398	/nfs/dbraw/zinc/01/23/98/540012398.db2.gz	JIZMBVJUPZTAJI-JCOXHHPGSA-N	0	0	368.466	2.425	10	10		FECERN
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1	ZINC000080010740	542558277	/nfs/dbraw/zinc/55/82/77/542558277.db2.gz	OXTJWULPCOPXNP-CXAGYDPISA-N	0	0	351.422	2.029	10	10		FECERN
Cc1noc([C@@H](C)N2CCN(C(=O)NCc3ccc(N(C)C)cc3)CC2)n1	ZINC000111416353	543400968	/nfs/dbraw/zinc/40/09/68/543400968.db2.gz	ITTXIZZJPILWST-CQSZACIVSA-N	0	0	372.473	2.032	10	10		FECERN
CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc3c(c1)CCCN3C)CC2	ZINC000114948546	543546856	/nfs/dbraw/zinc/54/68/56/543546856.db2.gz	MBJSXRDPCBICBX-MRXNPFEDSA-N	0	0	368.485	2.037	10	10		FECERN
COCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000152832689	544701220	/nfs/dbraw/zinc/70/12/20/544701220.db2.gz	UKWTVTSSTPJDBC-INIZCTEOSA-N	0	0	372.473	2.167	10	10		FECERN
COc1ccc(N2CCCN(C(=O)NCCn3cc(C)cn3)CC2)cc1	ZINC000172290930	546245032	/nfs/dbraw/zinc/24/50/32/546245032.db2.gz	URXUCUWYNMADOZ-UHFFFAOYSA-N	0	0	357.458	2.122	10	10		FECERN
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCCC[C@H]1CO	ZINC000175974314	546383305	/nfs/dbraw/zinc/38/33/05/546383305.db2.gz	VWUJIKSDKQJMAF-DOTOQJQBSA-N	0	0	365.449	2.013	10	10		FECERN
CCn1cc([C@H]2CN(C(=O)NCc3ccc(N(C)C)cc3)CCO2)cn1	ZINC000190549797	548327742	/nfs/dbraw/zinc/32/77/42/548327742.db2.gz	WCZYBHCXWQMYJB-GOSISDBHSA-N	0	0	357.458	2.252	10	10		FECERN
COc1ccc(O)c([C@@H](C)Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])c1	ZINC000301214324	553631723	/nfs/dbraw/zinc/63/17/23/553631723.db2.gz	WVCSHDZVEPQICN-SNVBAGLBSA-N	0	0	356.338	2.490	10	10		FECERN
CCCC(=O)N[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	ZINC000102010416	543055296	/nfs/dbraw/zinc/05/52/96/543055296.db2.gz	YDNKWBVSOOFGPF-HNNXBMFYSA-N	0	0	364.465	2.482	10	10		FECERN
O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@@H](Cn2cccn2)C1	ZINC000171901754	546229763	/nfs/dbraw/zinc/22/97/63/546229763.db2.gz	BHHSESSQHDMZOM-LJQANCHMSA-N	0	0	369.469	2.094	10	10		FECERN
Cc1ncc(CN2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)s1	ZINC000181064367	547241725	/nfs/dbraw/zinc/24/17/25/547241725.db2.gz	OWMUVJPTWHDOTK-HWKANZROSA-N	0	0	359.451	2.220	10	10		FECERN
CCN1C(=O)C(=CN[C@H](C)c2ccc(F)c(F)c2)C(=O)N(CC)C1=S	ZINC000072680455	670497326	/nfs/dbraw/zinc/49/73/26/670497326.db2.gz	MCTLTWGFYUQPLS-SNVBAGLBSA-N	0	0	367.421	2.495	10	10		FECERN
C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccc(F)cc1[O-]	ZINC000702763074	673058787	/nfs/dbraw/zinc/05/87/87/673058787.db2.gz	LWICEPZIKYKSOO-MKBNYLNASA-N	0	0	354.422	2.410	10	10		FECERN
COc1cccc2c1C(=O)c1c(O)c3c(O)cc(O)cc3c(O)c1C2=O	ZINC000035643753	539983765	/nfs/dbraw/zinc/98/37/65/539983765.db2.gz	BUVXHWNBBBOWFR-UHFFFAOYSA-N	0	0	352.298	2.446	10	10	in-vitro	FECERN
CCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CC)C1=O	ZINC000039729111	205047318	/nfs/dbraw/zinc/04/73/18/205047318.db2.gz	UPCSEUOFNQLEBN-PKNBQFBNSA-N	0	0	360.464	2.347	10	10		FECERN
COc1ccc(N2CCN(C(=O)N[C@H](C)[C@H]3CCCO3)CC2)cc1F	ZINC000084852750	542721583	/nfs/dbraw/zinc/72/15/83/542721583.db2.gz	XBNZCLJUFGOCKE-CZUORRHYSA-N	0	0	351.422	2.233	10	10		FECERN
CN(C)c1ccc(CN(C)C(=O)CN2CCO[C@H](c3nccs3)C2)cc1	ZINC000171662381	546217489	/nfs/dbraw/zinc/21/74/89/546217489.db2.gz	VJIXCDKHDQZEAL-KRWDZBQOSA-N	0	0	374.510	2.241	10	10		FECERN
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H](n2cncn2)C1	ZINC000173993657	546290188	/nfs/dbraw/zinc/29/01/88/546290188.db2.gz	FUZLRKSXNYDEIY-GOSISDBHSA-N	0	0	354.458	2.425	10	10		FECERN
CCOc1cc(N(CC)CC)ccc1C=C1C(=O)N(C)C(=O)N(C)C1=O	ZINC000096193689	205847414	/nfs/dbraw/zinc/84/74/14/205847414.db2.gz	YXUATGDWSOFEJG-UHFFFAOYSA-N	0	0	359.426	2.365	10	10		FECERN
COC[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	ZINC000103381680	543104998	/nfs/dbraw/zinc/10/49/98/543104998.db2.gz	RCVUGPFLHJSTQM-GFCCVEGCSA-N	0	0	360.376	2.441	10	10		FECERN
Cc1noc([C@H](C)N2CCN(C(=O)NCc3ccc(N(C)C)cc3)CC2)n1	ZINC000111416355	543401349	/nfs/dbraw/zinc/40/13/49/543401349.db2.gz	ITTXIZZJPILWST-AWEZNQCLSA-N	0	0	372.473	2.032	10	10		FECERN
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCc2nc(CC)nn2C1	ZINC000114977197	543548739	/nfs/dbraw/zinc/54/87/39/543548739.db2.gz	ASNLWDNZGCFVRN-HNNXBMFYSA-N	0	0	357.458	2.483	10	10		FECERN
COc1ccc(N2CCN(c3ncnc(N4CCCCC4)c3N)CC2)cc1	ZINC000040724633	536703238	/nfs/dbraw/zinc/70/32/38/536703238.db2.gz	MWMTULTUOLVBHU-UHFFFAOYSA-N	0	0	368.485	2.384	10	10		FECERN
CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(N3CCCC3)cc1)CC2	ZINC000172310228	546246933	/nfs/dbraw/zinc/24/69/33/546246933.db2.gz	GFDSRBWZSGURCC-INIZCTEOSA-N	0	0	368.485	2.255	10	10		FECERN
COCCN1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1C	ZINC000172326633	546248058	/nfs/dbraw/zinc/24/80/58/546248058.db2.gz	HOQQWVLFDPBWJS-QGZVFWFLSA-N	0	0	360.502	2.149	10	10		FECERN
Cc1nnc([C@@H]2CN(Cc3cc(Br)ccc3O)CCO2)[nH]1	ZINC000180104011	547051893	/nfs/dbraw/zinc/05/18/93/547051893.db2.gz	ZBVLDVKGTSTHFF-ZDUSSCGKSA-N	0	0	353.220	2.155	10	10		FECERN
CC1CCN(c2ccc(CNC(=O)N3CCCNC(=O)[C@H]3C)cc2)CC1	ZINC000191378360	548343776	/nfs/dbraw/zinc/34/37/76/548343776.db2.gz	SKRKMIQQJTUSDX-MRXNPFEDSA-N	0	0	358.486	2.343	10	10		FECERN
OC[C@@H]1CCCN1c1cc(NCCCSc2nccs2)ncn1	ZINC000156411278	672246178	/nfs/dbraw/zinc/24/61/78/672246178.db2.gz	IGBLBTWYMCHZGW-LBPRGKRZSA-N	0	0	351.501	2.489	10	10		FECERN
C[C@@H]1C[N@H+](Cc2cccc(Br)c2[O-])C[C@H]1N1CCOCC1	ZINC000245784935	672824408	/nfs/dbraw/zinc/82/44/08/672824408.db2.gz	VABBIJHXLARSKF-IUODEOHRSA-N	0	0	355.276	2.307	10	10		FECERN
[O-]c1c(Br)cc(Br)cc1C[NH2+][C@@H]1C[C@H]1CO	ZINC000309517136	673022803	/nfs/dbraw/zinc/02/28/03/673022803.db2.gz	AHEMOTTXHXZGKA-OIBJUYFYSA-N	0	0	351.038	2.388	10	10		FECERN
CCN(CC)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(C)=O)cc1	ZINC000028466726	539832640	/nfs/dbraw/zinc/83/26/40/539832640.db2.gz	NJFBNNOIDTWVCK-IJEWVQPXSA-N	0	0	373.375	2.343	10	10		FECERN
COc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(C)c3)CC2)cc1	ZINC000009856946	536675487	/nfs/dbraw/zinc/67/54/87/536675487.db2.gz	MSBTZTULRDOIOB-UHFFFAOYSA-N	0	0	353.422	2.291	10	10		FECERN
CCCC(=O)N[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	ZINC000170651682	546169051	/nfs/dbraw/zinc/16/90/51/546169051.db2.gz	FFFFKEKGUXNLFL-SFHVURJKSA-N	0	0	374.529	2.092	10	10		FECERN
COCCN1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C	ZINC000172326636	546248255	/nfs/dbraw/zinc/24/82/55/546248255.db2.gz	HOQQWVLFDPBWJS-KRWDZBQOSA-N	0	0	360.502	2.149	10	10		FECERN
COc1cc(Cl)cc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)c1O	ZINC000184690869	547865982	/nfs/dbraw/zinc/86/59/82/547865982.db2.gz	GGRWZXMKZJUSJG-OAHLLOKOSA-N	0	0	351.834	2.460	10	10		FECERN
C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@H]1N1CCOCC1	ZINC000245689386	548975674	/nfs/dbraw/zinc/97/56/74/548975674.db2.gz	BDBUCASWGVFBKW-SWLSCSKDSA-N	0	0	355.276	2.307	10	10		FECERN
CCOc1ccc(S(=O)(=O)c2nnn(-c3ccc(N)cc3)c2C)cc1	ZINC000011730556	539533947	/nfs/dbraw/zinc/53/39/47/539533947.db2.gz	ZIFOEANMXZGCLM-UHFFFAOYSA-N	0	0	358.423	2.389	10	10		FECERN
N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC(N3CCCCC3)=NN21	ZINC000041084696	540012359	/nfs/dbraw/zinc/01/23/59/540012359.db2.gz	LJJGIZYSBYAPCP-OVPUCLHSSA-N	0	0	355.423	2.455	10	10		FECERN
CC(=O)c1cc(F)cc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)c1O	ZINC000175648803	546326942	/nfs/dbraw/zinc/32/69/42/546326942.db2.gz	JISOAAAEKJETNQ-NSHDSACASA-N	0	0	362.405	2.304	10	10		FECERN
Cc1ccc(C(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c(O)c1O	ZINC000182447678	547495535	/nfs/dbraw/zinc/49/55/35/547495535.db2.gz	AKNYLCGFXGIRGF-UHFFFAOYSA-N	0	0	372.469	2.316	10	10		FECERN
COc1ccc(N2CCN(c3nccn4c3nnc4C3CC3)CC2)cc1	ZINC000302215988	553711314	/nfs/dbraw/zinc/71/13/14/553711314.db2.gz	OXWRDUYJZBCWJV-UHFFFAOYSA-N	0	0	350.426	2.337	10	10		FECERN
CC(C)CN1C(=O)C(=CN[C@H](C)c2ccc(F)c(F)c2)C(=O)NC1=S	ZINC000072680457	670497302	/nfs/dbraw/zinc/49/73/02/670497302.db2.gz	HSTIHVDKEGNIQQ-VPMLRQHESA-N	0	0	367.421	2.399	10	10		FECERN
CCc1nc2n(n1)C[C@H](NC(=O)NCCCSc1nccs1)CC2	ZINC000153613987	672201813	/nfs/dbraw/zinc/20/18/13/672201813.db2.gz	GICBMBSKJURYCQ-LLVKDONJSA-N	0	0	366.516	2.093	10	10		FECERN
CN(C)c1ccc(CNC(=O)N2CCC(Nc3cccnn3)CC2)cc1F	ZINC000154289325	544886324	/nfs/dbraw/zinc/88/63/24/544886324.db2.gz	OCZKQNPUKKJFTQ-UHFFFAOYSA-N	0	0	372.448	2.468	10	10		FECERN
CN(c1cccnn1)C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	ZINC000180787072	547179664	/nfs/dbraw/zinc/17/96/64/547179664.db2.gz	UUVASHXVAAQLNR-FNORWQNLSA-N	0	0	354.410	2.028	10	10		FECERN
COC(=O)CCN1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S	ZINC000040937841	208276475	/nfs/dbraw/zinc/27/64/75/208276475.db2.gz	MJTSJSIXJPNQSH-JYRVWZFOSA-N	0	0	367.448	2.468	10	10		FECERN
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCCC[C@@H]1CO	ZINC000175974298	546383288	/nfs/dbraw/zinc/38/32/88/546383288.db2.gz	VWUJIKSDKQJMAF-WBVHZDCISA-N	0	0	365.449	2.013	10	10		FECERN
CN1C(=O)CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)[C@H]1c1ccccc1	ZINC000179093780	546898062	/nfs/dbraw/zinc/89/80/62/546898062.db2.gz	ZBSXEYKHNCQYEN-OXJNMPFZSA-N	0	0	368.433	2.366	10	10		FECERN
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC[C@H]1CCCC[C@H]1O	ZINC000077780370	542420572	/nfs/dbraw/zinc/42/05/72/542420572.db2.gz	JKQYZELDOBRCRD-CRAIPNDOSA-N	0	0	365.449	2.013	10	10		FECERN
COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCc4ncnn4C3)c2C)cc1	ZINC000112653572	543455503	/nfs/dbraw/zinc/45/55/03/543455503.db2.gz	QTLVLOVTAIJPQJ-OAHLLOKOSA-N	0	0	365.437	2.439	10	10		FECERN
C[C@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1N1CCOCC1	ZINC000180227787	547069576	/nfs/dbraw/zinc/06/95/76/547069576.db2.gz	ZUZWZCFKMIGOEE-NHYWBVRUSA-N	0	0	355.822	2.106	10	10		FECERN
O=C1c2cccc(NCCCO)c2C(=O)c2c(NCCCO)cccc21	ZINC000034068977	208103353	/nfs/dbraw/zinc/10/33/53/208103353.db2.gz	OQSYYTSWSXEJHW-UHFFFAOYSA-N	0	0	354.406	2.051	10	10		FECERN
CN(C)c1ccc(CNC(=O)N2CCC(Nc3cccnn3)CC2)cc1	ZINC000124478295	543825028	/nfs/dbraw/zinc/82/50/28/543825028.db2.gz	AQTSSPVXPCVCMQ-UHFFFAOYSA-N	0	0	354.458	2.329	10	10		FECERN
CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1	ZINC000171903030	546229447	/nfs/dbraw/zinc/22/94/47/546229447.db2.gz	RGVNMEGRUIFVAS-LJQANCHMSA-N	0	0	371.485	2.340	10	10		FECERN
CCn1c(C)nnc1CN(CC(=O)OC)Cc1cc(Cl)ccc1O	ZINC000171938170	546230284	/nfs/dbraw/zinc/23/02/84/546230284.db2.gz	XTGZTWQEGIATHL-UHFFFAOYSA-N	0	0	352.822	2.141	10	10		FECERN
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	ZINC000188786303	548287013	/nfs/dbraw/zinc/28/70/13/548287013.db2.gz	ANMSZBWYSRVOIF-WOJBJXKFSA-N	0	0	373.497	2.053	10	10		FECERN
CS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1	ZINC000023398014	670048344	/nfs/dbraw/zinc/04/83/44/670048344.db2.gz	JUFQDIWBSMWMLT-VAWYXSNFSA-N	0	0	352.437	2.471	10	10		FECERN
O=C1CCCN1C[C@@H](O)CN1CCCc2cc(OC(F)(F)F)ccc21	ZINC000157582981	672260155	/nfs/dbraw/zinc/26/01/55/672260155.db2.gz	FIOLBXCFRIAASL-ZDUSSCGKSA-N	0	0	358.360	2.321	10	10		FECERN
CS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1	ZINC000062330513	136132933	/nfs/dbraw/zinc/13/29/33/136132933.db2.gz	LAIOMMDLQXSPPS-UHFFFAOYSA-N	0	0	360.435	2.179	10	10		FECERN
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H](n2cncn2)C1	ZINC000175227780	546307513	/nfs/dbraw/zinc/30/75/13/546307513.db2.gz	KQQDOIVOCWZHDG-SFHVURJKSA-N	0	0	352.442	2.201	10	10		FECERN
COc1ccc(O)c(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1	ZINC000179359846	546939133	/nfs/dbraw/zinc/93/91/33/546939133.db2.gz	JRCYZVPXYVLILU-VQIMIIECSA-N	0	0	372.396	2.376	10	10		FECERN
Cc1nc2c(cnn2C)c(N2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)n1	ZINC000180120061	547054137	/nfs/dbraw/zinc/05/41/37/547054137.db2.gz	ABNJIADCSTXHMT-UHFFFAOYSA-N	0	0	372.860	2.353	10	10		FECERN
CCn1cc([C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)cn1	ZINC000191707360	548349374	/nfs/dbraw/zinc/34/93/74/548349374.db2.gz	JJYWFLRIFOUCRF-FQEVSTJZSA-N	0	0	356.470	2.313	10	10		FECERN
CCC1(CC)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[S@]1=O	ZINC000302214622	553711457	/nfs/dbraw/zinc/71/14/57/553711457.db2.gz	GSKFMEUYLUWLCI-RUZDIDTESA-N	0	0	367.427	2.053	10	10		FECERN
CCOc1cc(/C=C2/SC(=S)N(N3CCOCC3)C2=O)ccc1O	ZINC000002210164	539346021	/nfs/dbraw/zinc/34/60/21/539346021.db2.gz	IPLCOYXVSNKWPT-GXDHUFHOSA-N	0	0	366.464	2.239	10	10		FECERN
CCN1C(=O)/C(=C/c2ccc(OS(C)(=O)=O)c(OC)c2)SC1=S	ZINC000041108593	540012259	/nfs/dbraw/zinc/01/22/59/540012259.db2.gz	ANRKGYDFSHCCAF-WQLSENKSSA-N	0	0	373.477	2.255	10	10		FECERN
CCc1ccc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)cc1	ZINC000041084481	540012365	/nfs/dbraw/zinc/01/23/65/540012365.db2.gz	NPUPGYLADHOMSV-JCOXHHPGSA-N	0	0	369.450	2.158	10	10		FECERN
COC[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	ZINC000103381679	543104982	/nfs/dbraw/zinc/10/49/82/543104982.db2.gz	RCVUGPFLHJSTQM-LBPRGKRZSA-N	0	0	360.376	2.441	10	10		FECERN
COc1ccc(N2CCN(C(=O)C(=O)Nc3ccccc3C)CC2)cc1	ZINC000009859860	536676041	/nfs/dbraw/zinc/67/60/41/536676041.db2.gz	PUNUVYLDPMWOBJ-UHFFFAOYSA-N	0	0	353.422	2.291	10	10		FECERN
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2C(=O)NC)cc1F	ZINC000158319949	545848284	/nfs/dbraw/zinc/84/82/84/545848284.db2.gz	JORKIQQZIGJCAK-INIZCTEOSA-N	0	0	350.438	2.092	10	10		FECERN
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H](n2cncn2)C1	ZINC000175227795	546307579	/nfs/dbraw/zinc/30/75/79/546307579.db2.gz	KQQDOIVOCWZHDG-GOSISDBHSA-N	0	0	352.442	2.201	10	10		FECERN
CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1	ZINC000175420155	546310741	/nfs/dbraw/zinc/31/07/41/546310741.db2.gz	OCPKQWGPFMVPJC-QGZVFWFLSA-N	0	0	372.473	2.242	10	10		FECERN
COc1cccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1O	ZINC000179358963	546938756	/nfs/dbraw/zinc/93/87/56/546938756.db2.gz	HQVBMJHMHWMLNS-CRAIPNDOSA-N	0	0	372.396	2.376	10	10		FECERN
Cc1nnc([C@H]2CN(Cc3cc(Br)cc(C)c3O)CCO2)[nH]1	ZINC000180612173	547141398	/nfs/dbraw/zinc/14/13/98/547141398.db2.gz	LLEDYMNEEOWTOQ-CYBMUJFWSA-N	0	0	367.247	2.463	10	10		FECERN
CN1C(=O)CC[C@H](C(=O)NCc2ccc(O)c(O)c2)[C@H]1c1ccccc1	ZINC000182531705	547508959	/nfs/dbraw/zinc/50/89/59/547508959.db2.gz	NVBDKMGAMFWJBI-HNAYVOBHSA-N	0	0	354.406	2.324	10	10		FECERN
COc1ccc(C(=O)NC2(N3CCCC3)C(=O)c3ccccc3C2=O)cc1	ZINC000226297475	548747111	/nfs/dbraw/zinc/74/71/11/548747111.db2.gz	MLNJLPLROCDNBB-UHFFFAOYSA-N	0	0	364.401	2.296	10	10		FECERN
COc1ccc(O)c([C@H](C)Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])c1	ZINC000301214323	553631923	/nfs/dbraw/zinc/63/19/23/553631923.db2.gz	WVCSHDZVEPQICN-JTQLQIEISA-N	0	0	356.338	2.490	10	10		FECERN
O=C1c2ccccc2C(=O)c2c(NC[C@H]3CO3)ccc(NC[C@H]3CO3)c21	ZINC000005117474	207082093	/nfs/dbraw/zinc/08/20/93/207082093.db2.gz	LGYRALFKRRVBET-RYUDHWBXSA-N	0	0	350.374	2.083	10	10		FECERN
CCN(CC)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(C)=O)cc1	ZINC000252444375	520922398	/nfs/dbraw/zinc/92/23/98/520922398.db2.gz	NJFBNNOIDTWVCK-OFQRWUPVSA-N	0	0	373.375	2.343	10	10		FECERN
CCCC(=O)N[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	ZINC000170651681	546168950	/nfs/dbraw/zinc/16/89/50/546168950.db2.gz	FFFFKEKGUXNLFL-GOSISDBHSA-N	0	0	374.529	2.092	10	10		FECERN
C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccc(F)cc1[O-]	ZINC000702763076	673058848	/nfs/dbraw/zinc/05/88/48/673058848.db2.gz	LWICEPZIKYKSOO-MQIPJXDCSA-N	0	0	354.422	2.410	10	10		FECERN
Nc1ccc(Oc2ccc(NC(=O)N[C@@H]3C=CS(=O)(=O)C3)cc2)cc1	ZINC000040166595	208242272	/nfs/dbraw/zinc/24/22/72/208242272.db2.gz	HPDDIAMZSWOHBX-CQSZACIVSA-N	0	0	359.407	2.493	10	10		FECERN
C[C@@H](NC(=O)c1ccco1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000078345662	542457271	/nfs/dbraw/zinc/45/72/71/542457271.db2.gz	AJSPXEHKNHXQKJ-ZBFHGGJFSA-N	0	0	372.421	2.311	10	10		FECERN
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1CN(C)CCO1	ZINC000105280858	543168417	/nfs/dbraw/zinc/16/84/17/543168417.db2.gz	SSJIBDAQWKZFRP-LJQANCHMSA-N	0	0	360.502	2.149	10	10		FECERN
CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(N3CC=CC3)cc1)CC2	ZINC000155177013	544998251	/nfs/dbraw/zinc/99/82/51/544998251.db2.gz	IEEZNVKJLXFXFE-MRXNPFEDSA-N	0	0	366.469	2.031	10	10		FECERN
Cc1noc([C@@H]2COCCN2C(=O)c2cc(C)n(-c3ccccn3)c2C)n1	ZINC000183757445	547713925	/nfs/dbraw/zinc/71/39/25/547713925.db2.gz	KLRXDAONDVBQKX-INIZCTEOSA-N	0	0	367.409	2.394	10	10		FECERN
CCN(CC)c1ccc(CNC(=O)N2CCCNC(=O)[C@@H]2C)cc1F	ZINC000191380368	548344347	/nfs/dbraw/zinc/34/43/47/548344347.db2.gz	GGMOGUYVTYIHJX-ZDUSSCGKSA-N	0	0	350.438	2.092	10	10		FECERN
C[C@@H](NC=C1C(=O)NC(=S)NC1=O)c1ccc(-c2ccccc2)cc1	ZINC000121035493	671940881	/nfs/dbraw/zinc/94/08/81/671940881.db2.gz	SUVYFSBVVRAYMP-GFCCVEGCSA-N	0	0	351.431	2.419	10	10		FECERN
C[C@H]1C[N@H+](Cc2cccc(Br)c2[O-])C[C@@H]1N1CCOCC1	ZINC000180231359	672411472	/nfs/dbraw/zinc/41/14/72/672411472.db2.gz	VABBIJHXLARSKF-WFASDCNBSA-N	0	0	355.276	2.307	10	10		FECERN
CC(C)CN1C(=O)C(=CN[C@H](C)c2ccc(F)c(F)c2)C(=O)NC1=S	ZINC000255216733	672886966	/nfs/dbraw/zinc/88/69/66/672886966.db2.gz	HSTIHVDKEGNIQQ-CEXMDJMXSA-N	0	0	367.421	2.399	10	10		FECERN
Cc1cc(C)n(C[C@H]2CN(C(=O)NCc3ccc(N(C)C)cc3)CCO2)n1	ZINC000111416652	543401121	/nfs/dbraw/zinc/40/11/21/543401121.db2.gz	VPGXGPRUZOZGPV-LJQANCHMSA-N	0	0	371.485	2.177	10	10		FECERN
COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCc4ncnn4C3)c2C)cc1	ZINC000112653574	543455437	/nfs/dbraw/zinc/45/54/37/543455437.db2.gz	QTLVLOVTAIJPQJ-HNNXBMFYSA-N	0	0	365.437	2.439	10	10		FECERN
CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc3c(c1)CCCN3C)CC2	ZINC000114948548	543546895	/nfs/dbraw/zinc/54/68/95/543546895.db2.gz	MBJSXRDPCBICBX-INIZCTEOSA-N	0	0	368.485	2.037	10	10		FECERN
Cc1cnn(CCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	ZINC000118080488	543644484	/nfs/dbraw/zinc/64/44/84/543644484.db2.gz	VRKHZXLKLBWMCJ-KRWDZBQOSA-N	0	0	358.442	2.288	10	10		FECERN
CCc1nc2n(n1)C[C@@H](NC(=O)NCc1c(O)ccc3c1CCCC3)CC2	ZINC000174969759	546305348	/nfs/dbraw/zinc/30/53/48/546305348.db2.gz	YCBLYOGRZCGHDP-AWEZNQCLSA-N	0	0	369.469	2.239	10	10		FECERN
CN(C)c1ccc(CN(C)c2ccc(C(=O)NC3CCOCC3)nn2)cc1	ZINC000301738078	553675952	/nfs/dbraw/zinc/67/59/52/553675952.db2.gz	SESMPGCQJWJAKJ-UHFFFAOYSA-N	0	0	369.469	2.088	10	10		FECERN
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(C)cc3)C(=N)N21	ZINC000096460280	670760848	/nfs/dbraw/zinc/76/08/48/670760848.db2.gz	KPFXPGCZHHGSQR-AHCHECIRSA-N	0	0	362.436	2.006	10	10		FECERN
CC[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@@H+]1C[C@H](C)O	ZINC000245785110	672824538	/nfs/dbraw/zinc/82/45/38/672824538.db2.gz	VCWIZOIQUVYJIY-SMDDNHRTSA-N	0	0	357.838	2.231	10	10		FECERN
CCOC(=O)CCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S	ZINC000028048183	210162934	/nfs/dbraw/zinc/16/29/34/210162934.db2.gz	PCSHGLUILLWCNC-SEYXRHQNSA-N	0	0	362.432	2.163	10	10		FECERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc2c(c1)CCCN2C	ZINC000083715782	542701912	/nfs/dbraw/zinc/70/19/12/542701912.db2.gz	NVMYLVLRVZDPNG-MRXNPFEDSA-N	0	0	354.458	2.303	10	10		FECERN
Cc1cc(C(=O)N2CCO[C@H](Cn3cccn3)C2)c(C)n1-c1ccccn1	ZINC000111079838	543380850	/nfs/dbraw/zinc/38/08/50/543380850.db2.gz	FQZXXPFPYOAAJZ-KRWDZBQOSA-N	0	0	365.437	2.227	10	10		FECERN
CC(=O)c1cc(F)cc(CN2CCCN(Cc3cnn(C)c3)CC2)c1O	ZINC000175650430	546328090	/nfs/dbraw/zinc/32/80/90/546328090.db2.gz	HPSKIPYPXSWUIN-UHFFFAOYSA-N	0	0	360.433	2.175	10	10		FECERN
COc1ccc(O)c(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)c1	ZINC000179359879	546939351	/nfs/dbraw/zinc/93/93/51/546939351.db2.gz	JRCYZVPXYVLILU-LPHOPBHVSA-N	0	0	372.396	2.376	10	10		FECERN
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC(=O)NCC1CC1	ZINC000183799123	547721772	/nfs/dbraw/zinc/72/17/72/547721772.db2.gz	WRVDGDQAEMPTMA-UHFFFAOYSA-N	0	0	358.486	2.345	10	10		FECERN
CCC1(CC)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[S@@]1=O	ZINC000302214620	553711610	/nfs/dbraw/zinc/71/16/10/553711610.db2.gz	GSKFMEUYLUWLCI-VWLOTQADSA-N	0	0	367.427	2.053	10	10		FECERN
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(S(N)(=O)=O)cc1	ZINC000102936780	222315108	/nfs/dbraw/zinc/31/51/08/222315108.db2.gz	IUWZDABDTAUMTC-LFIBNONCSA-N	0	0	356.407	2.053	10	10		FECERN
CCn1cc([C@@H]2CN(C(=O)NCc3ccc(N(C)C)cc3)CCO2)cn1	ZINC000190549780	548327716	/nfs/dbraw/zinc/32/77/16/548327716.db2.gz	WCZYBHCXWQMYJB-SFHVURJKSA-N	0	0	357.458	2.252	10	10		FECERN
Cc1csc([C@@H]2CN(CC(=O)NCc3ccc(N(C)C)cc3)CCO2)n1	ZINC000195390255	548633250	/nfs/dbraw/zinc/63/32/50/548633250.db2.gz	CRUOXQHWIVCZBL-KRWDZBQOSA-N	0	0	374.510	2.207	10	10		FECERN
CCc1nc2n(n1)C[C@@H](NC(=O)NCCCSc1nccs1)CC2	ZINC000153614085	672201819	/nfs/dbraw/zinc/20/18/19/672201819.db2.gz	GICBMBSKJURYCQ-NSHDSACASA-N	0	0	366.516	2.093	10	10		FECERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCSc1nccs1	ZINC000154378742	672215855	/nfs/dbraw/zinc/21/58/55/672215855.db2.gz	FNBSJXIOMRYABP-NSHDSACASA-N	0	0	352.489	2.360	10	10		FECERN
CCC(=O)Oc1ccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)cc1	ZINC000021024247	211302989	/nfs/dbraw/zinc/30/29/89/211302989.db2.gz	GUTVWXUQLCBMHA-UHFFFAOYSA-N	0	0	351.362	2.482	10	10		FECERN
CC1CCN(c2ccc(CNC(=O)NC[C@@H]3CN(C)CCO3)cc2)CC1	ZINC000108443763	543290224	/nfs/dbraw/zinc/29/02/24/543290224.db2.gz	QTKFSOKDDKMRHA-LJQANCHMSA-N	0	0	360.502	2.053	10	10		FECERN
CC(=O)c1cc(F)cc(CN2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)c1O	ZINC000192001965	548356364	/nfs/dbraw/zinc/35/63/64/548356364.db2.gz	VFLDCNBTMVWZEF-HNNXBMFYSA-N	0	0	352.406	2.105	10	10		FECERN
COc1cccc(/C=C2/SC(=S)N(N3C(=O)CCCC3=O)C2=O)c1	ZINC000083295119	210232931	/nfs/dbraw/zinc/23/29/31/210232931.db2.gz	PTVPHSLWPQALCP-FMIVXFBMSA-N	0	0	362.432	2.351	10	10		FECERN
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CNC(=O)C2)cc1	ZINC000110869247	543371377	/nfs/dbraw/zinc/37/13/77/543371377.db2.gz	DJVHSTAGEZASFI-INIZCTEOSA-N	0	0	367.449	2.431	10	10		FECERN
O=C(N[C@@H]1CCCn2ncnc21)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000176595653	546466009	/nfs/dbraw/zinc/46/60/09/546466009.db2.gz	YIDZJJVZEYHWIW-HZPDHXFCSA-N	0	0	371.441	2.209	10	10		FECERN
CC(=O)c1cc(F)cc(CN2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)c1O	ZINC000192001973	548355537	/nfs/dbraw/zinc/35/55/37/548355537.db2.gz	VFLDCNBTMVWZEF-OAHLLOKOSA-N	0	0	352.406	2.105	10	10		FECERN
CCOC(=O)N1CCN(/C=C2/SC(=S)N(CC(C)C)C2=O)CC1	ZINC000059729474	670384006	/nfs/dbraw/zinc/38/40/06/670384006.db2.gz	RGCZUHXPEBVAFP-ZRDIBKRKSA-N	0	0	357.501	2.118	10	10		FECERN
CC(C)CN1C(=O)C(=CN[C@@H](C)c2ccc(F)cc2F)C(=O)NC1=S	ZINC000060865411	670390532	/nfs/dbraw/zinc/39/05/32/670390532.db2.gz	XWFRCMLKPIJHFA-BNDQCTAISA-N	0	0	367.421	2.399	10	10		FECERN
O=C(NCCCSc1nccs1)N1CCC[C@H](n2cncn2)C1	ZINC000154603140	672218821	/nfs/dbraw/zinc/21/88/21/672218821.db2.gz	IILBIWUEDRDURU-LBPRGKRZSA-N	0	0	352.489	2.264	10	10		FECERN
CC[C@@H]1CN(Cc2cccc(Br)c2[O-])CC[N@@H+]1C[C@H](C)O	ZINC000245757040	672824101	/nfs/dbraw/zinc/82/41/01/672824101.db2.gz	OWWTYNKFRNWNQG-GXTWGEPZSA-N	0	0	357.292	2.432	10	10		FECERN
CN(C)S(=O)(=O)c1ccc(NCCc2ccc(N)cc2)c([N+](=O)[O-])c1	ZINC000261680170	672901235	/nfs/dbraw/zinc/90/12/35/672901235.db2.gz	MRJWEJABFJUQFT-UHFFFAOYSA-N	0	0	364.427	2.082	10	10		FECERN
CN(Cc1ccccc1O)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21	ZINC000045278411	540208648	/nfs/dbraw/zinc/20/86/48/540208648.db2.gz	SSGWWSVOMKRQKK-HNNXBMFYSA-N	0	0	360.435	2.452	10	10		FECERN
[NH3+]Cc1cc(I)cc(I)c1[O-]	ZINC000029220524	211508330	/nfs/dbraw/zinc/50/83/30/211508330.db2.gz	BHHJBHFNWNSUOJ-UHFFFAOYSA-N	0	0	374.947	2.060	10	10		FECERN
CC1CCN(c2ccc(CNC(=O)NC[C@H]3CN(C)CCO3)cc2)CC1	ZINC000108443765	543289984	/nfs/dbraw/zinc/28/99/84/543289984.db2.gz	QTKFSOKDDKMRHA-IBGZPJMESA-N	0	0	360.502	2.053	10	10		FECERN
Oc1ccc(Br)cc1CN1CCO[C@H](Cn2cccn2)C1	ZINC000122145054	543703717	/nfs/dbraw/zinc/70/37/17/543703717.db2.gz	RZBKIXSCVOLAGZ-AWEZNQCLSA-N	0	0	352.232	2.252	10	10		FECERN
CC(C)c1nnc2n1C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)CC2	ZINC000181535819	547330185	/nfs/dbraw/zinc/33/01/85/547330185.db2.gz	HABBCOAVFGMPBV-AWEZNQCLSA-N	0	0	374.464	2.421	10	10		FECERN
C[C@H]1OCCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000188494273	548279804	/nfs/dbraw/zinc/27/98/04/548279804.db2.gz	YWPCTXKSEKUEIB-CZUORRHYSA-N	0	0	350.434	2.218	10	10		FECERN
CCn1cc(C2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)cn1	ZINC000195499830	548650444	/nfs/dbraw/zinc/65/04/44/548650444.db2.gz	PCEDHEZDFYPBAO-UHFFFAOYSA-N	0	0	369.513	2.465	10	10		FECERN
Cc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)c(C)n1-c1ccc(Cl)cc1	ZINC000180268644	672412120	/nfs/dbraw/zinc/41/21/20/672412120.db2.gz	VQEOYARHWITNQY-MRXNPFEDSA-N	0	0	361.829	2.074	10	10		FECERN
CCN(CC)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(C)=O)cc1	ZINC000028466717	539832704	/nfs/dbraw/zinc/83/27/04/539832704.db2.gz	NJFBNNOIDTWVCK-YCPHGPKFSA-N	0	0	373.375	2.343	10	10		FECERN
Cc1nc2cnccn2c1NCCC(=O)NCc1ccc(N(C)C)cc1	ZINC000064758489	221151502	/nfs/dbraw/zinc/15/15/02/221151502.db2.gz	LTTRPYWKDDOPGJ-UHFFFAOYSA-N	0	0	352.442	2.222	10	10		FECERN
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCCC[C@H]1CO	ZINC000175974329	546383017	/nfs/dbraw/zinc/38/30/17/546383017.db2.gz	VWUJIKSDKQJMAF-RDJZCZTQSA-N	0	0	365.449	2.013	10	10		FECERN
C[C@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1N1CCOCC1	ZINC000245813476	548998523	/nfs/dbraw/zinc/99/85/23/548998523.db2.gz	ZUZWZCFKMIGOEE-XHDPSFHLSA-N	0	0	355.822	2.106	10	10		FECERN
COc1cc(Br)cc(CN2CCC[C@@H](NC(C)=O)C2)c1O	ZINC000153834018	672205350	/nfs/dbraw/zinc/20/53/50/672205350.db2.gz	FPXQQOYVMBIONF-CYBMUJFWSA-N	0	0	357.248	2.264	10	10		FECERN
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC[C@@H]1CCCC[C@@H]1O	ZINC000077780364	542420230	/nfs/dbraw/zinc/42/02/30/542420230.db2.gz	JKQYZELDOBRCRD-YJBOKZPZSA-N	0	0	365.449	2.013	10	10		FECERN
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1F	ZINC000112749970	543463024	/nfs/dbraw/zinc/46/30/24/543463024.db2.gz	FRCURZIUIHCMFH-CQSZACIVSA-N	0	0	360.437	2.078	10	10		FECERN
Cc1ccccc1C(=O)N[C@H](C(=O)NCc1ccc(O)c(O)c1)C(C)C	ZINC000159088445	545920804	/nfs/dbraw/zinc/92/08/04/545920804.db2.gz	UUVDFMCJTXLRAX-SFHVURJKSA-N	0	0	356.422	2.477	10	10		FECERN
Cc1cc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c(C)n1-c1ccccn1	ZINC000174318227	546294633	/nfs/dbraw/zinc/29/46/33/546294633.db2.gz	RGPHBFODYNAFQB-JKSUJKDBSA-N	0	0	356.470	2.016	10	10		FECERN
O=C(N[C@@H]1CCCn2ncnc21)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000176595641	546466029	/nfs/dbraw/zinc/46/60/29/546466029.db2.gz	YIDZJJVZEYHWIW-JKSUJKDBSA-N	0	0	371.441	2.209	10	10		FECERN
CC(C)CC(=O)N[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C(C)C	ZINC000185388085	547978431	/nfs/dbraw/zinc/97/84/31/547978431.db2.gz	WWCMOPRFBXAPQN-UGSOOPFHSA-N	0	0	350.459	2.332	10	10		FECERN
CN1C(=O)C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1	ZINC000122806374	543724845	/nfs/dbraw/zinc/72/48/45/543724845.db2.gz	SHEWRGZDMKCALZ-BEFAXECRSA-N	0	0	372.396	2.115	10	10		FECERN
CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)Cc2ccccc2O)ncn1	ZINC000173422690	546281119	/nfs/dbraw/zinc/28/11/19/546281119.db2.gz	KNWOYMMALPFWIA-OAHLLOKOSA-N	0	0	370.457	2.034	10	10		FECERN
Cc1cc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c(C)n1-c1ccccn1	ZINC000173550888	546283006	/nfs/dbraw/zinc/28/30/06/546283006.db2.gz	KNINNWYBCCSAGJ-INIZCTEOSA-N	0	0	366.425	2.129	10	10		FECERN
Cc1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(C)n1-c1ccccn1	ZINC000173806517	546287603	/nfs/dbraw/zinc/28/76/03/546287603.db2.gz	PBJJFDWGMKNUJP-HNAYVOBHSA-N	0	0	368.481	2.282	10	10		FECERN
Cc1noc([C@@H]2COCCN2Cc2cc(Br)ccc2O)n1	ZINC000188475694	548280645	/nfs/dbraw/zinc/28/06/45/548280645.db2.gz	LLWDSUOHXDFENN-LBPRGKRZSA-N	0	0	354.204	2.420	10	10		FECERN
Cc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)c(C)n1-c1cccc(Cl)c1	ZINC000180266486	672411976	/nfs/dbraw/zinc/41/19/76/672411976.db2.gz	DSQAJHNGMUTPLT-MRXNPFEDSA-N	0	0	361.829	2.074	10	10		FECERN
C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccc(F)cc1[O-]	ZINC000702763072	673058795	/nfs/dbraw/zinc/05/87/95/673058795.db2.gz	LWICEPZIKYKSOO-HWWQOWPSSA-N	0	0	354.422	2.410	10	10		FECERN
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCO1	ZINC000080010726	542558342	/nfs/dbraw/zinc/55/83/42/542558342.db2.gz	OXTJWULPCOPXNP-GUYCJALGSA-N	0	0	351.422	2.029	10	10		FECERN
CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(C)n(-c3ccccn3)c1C)CC2	ZINC000114869945	543542879	/nfs/dbraw/zinc/54/28/79/543542879.db2.gz	GTXXROVUZKHYMR-HNNXBMFYSA-N	0	0	364.453	2.388	10	10		FECERN
CC(=O)c1cc(F)cc(CN2CCN([C@H](C)c3nc(C)no3)CC2)c1O	ZINC000175648784	546327464	/nfs/dbraw/zinc/32/74/64/546327464.db2.gz	JISOAAAEKJETNQ-LLVKDONJSA-N	0	0	362.405	2.304	10	10		FECERN
CC(C)CN1C(=O)C(=CN[C@H](C)c2ccc(F)cc2F)C(=O)NC1=S	ZINC000121037520	671941240	/nfs/dbraw/zinc/94/12/40/671941240.db2.gz	XWFRCMLKPIJHFA-QVASGMJFSA-N	0	0	367.421	2.399	10	10		FECERN
CCOC(=O)[C@@]12O[C@]1(c1ccc(OC)cc1)C(=O)c1ccccc1C2=O	ZINC000059370381	221125944	/nfs/dbraw/zinc/12/59/44/221125944.db2.gz	QFGXRKONTYOFON-WOJBJXKFSA-N	0	0	352.342	2.302	10	10		FECERN
Cn1cc([C@@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)cn1	ZINC000128022635	544028227	/nfs/dbraw/zinc/02/82/27/544028227.db2.gz	XXHAWGVWRNXANZ-QGZVFWFLSA-N	0	0	351.454	2.495	10	10		FECERN
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)cc1	ZINC000173787251	546286116	/nfs/dbraw/zinc/28/61/16/546286116.db2.gz	VWTDPLCTXQTDBY-IBGZPJMESA-N	0	0	360.502	2.149	10	10		FECERN
O=C(N[C@H]1CCCn2ncnc21)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000176595667	546465954	/nfs/dbraw/zinc/46/59/54/546465954.db2.gz	YIDZJJVZEYHWIW-HOTGVXAUSA-N	0	0	371.441	2.209	10	10		FECERN
COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](OC(C)=O)C2=O	ZINC000014643655	220128263	/nfs/dbraw/zinc/12/82/63/220128263.db2.gz	WWYQJKVSCKMFCP-MSOLQXFVSA-N	0	0	360.318	2.060	10	10	biogenic,in-vitro	FECERN
CCOC(=O)CC1=NNC(=O)C1=CNc1ccc(Br)cc1	ZINC000040177416	220895917	/nfs/dbraw/zinc/89/59/17/220895917.db2.gz	PGWLIJMWDLRUCE-FLIBITNWSA-N	0	0	352.188	2.184	10	10		FECERN
Cc1cnn([C@H]2CCCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)c1	ZINC000106223623	543220311	/nfs/dbraw/zinc/22/03/11/543220311.db2.gz	MFICGBHFGLXHNO-IBGZPJMESA-N	0	0	355.486	2.211	10	10		FECERN
CC[C@@H](O)CN1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1	ZINC000106394665	543227710	/nfs/dbraw/zinc/22/77/10/543227710.db2.gz	WGTWPTREIGJRTM-QGZVFWFLSA-N	0	0	356.470	2.018	10	10		FECERN
Cc1cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(C)n1-c1ccccn1	ZINC000173806542	546287583	/nfs/dbraw/zinc/28/75/83/546287583.db2.gz	PBJJFDWGMKNUJP-KXBFYZLASA-N	0	0	368.481	2.282	10	10		FECERN
COc1ccc(O)c(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1	ZINC000179359868	546939347	/nfs/dbraw/zinc/93/93/47/546939347.db2.gz	JRCYZVPXYVLILU-QFBILLFUSA-N	0	0	372.396	2.376	10	10		FECERN
O=C(NC1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1)C1CCC1	ZINC000188805261	548289000	/nfs/dbraw/zinc/28/90/00/548289000.db2.gz	WXJQLURZVJFELE-UHFFFAOYSA-N	0	0	356.470	2.097	10	10		FECERN
C[C@@H](NC(=O)c1ccco1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000078345666	542457457	/nfs/dbraw/zinc/45/74/57/542457457.db2.gz	AJSPXEHKNHXQKJ-GDBMZVCRSA-N	0	0	372.421	2.311	10	10		FECERN
C[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCS1	ZINC000171427751	546207875	/nfs/dbraw/zinc/20/78/75/546207875.db2.gz	MUBCYXSPPFWOEZ-ZDUSSCGKSA-N	0	0	367.490	2.434	10	10		FECERN
COc1cccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1O	ZINC000179358989	546939488	/nfs/dbraw/zinc/93/94/88/546939488.db2.gz	HQVBMJHMHWMLNS-MAUKXSAKSA-N	0	0	372.396	2.376	10	10		FECERN
CC(C)c1nnc2n1C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)CC2	ZINC000181736657	547370862	/nfs/dbraw/zinc/37/08/62/547370862.db2.gz	NTZXQZWWLLYLOS-HNNXBMFYSA-N	0	0	356.474	2.282	10	10		FECERN
COC(=O)CCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S	ZINC000040867632	220923043	/nfs/dbraw/zinc/92/30/43/220923043.db2.gz	LEZMHGMCUSCRLM-XFXZXTDPSA-N	0	0	365.432	2.238	10	10		FECERN
Cc1cc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c(C)n1-c1ccccn1	ZINC000111079841	543380887	/nfs/dbraw/zinc/38/08/87/543380887.db2.gz	FQZXXPFPYOAAJZ-QGZVFWFLSA-N	0	0	365.437	2.227	10	10		FECERN
CCc1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)CC2	ZINC000114977045	543549042	/nfs/dbraw/zinc/54/90/42/543549042.db2.gz	PVERRCOHSWXEQB-HNNXBMFYSA-N	0	0	356.474	2.063	10	10		FECERN
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@H]1C(=O)OC	ZINC000075417054	670531128	/nfs/dbraw/zinc/53/11/28/670531128.db2.gz	GZXYQKBWMZTMRJ-VXGBXAGGSA-N	0	0	356.216	2.312	10	10		FECERN
CCN(CC)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(C)=O)cc1	ZINC000057384835	221087561	/nfs/dbraw/zinc/08/75/61/221087561.db2.gz	NJFBNNOIDTWVCK-DZKIICNBSA-N	0	0	373.375	2.343	10	10		FECERN
CCOC(=O)[C@]12O[C@@]1(c1ccc(OC)cc1)C(=O)c1ccccc1C2=O	ZINC000059370378	221126413	/nfs/dbraw/zinc/12/64/13/221126413.db2.gz	QFGXRKONTYOFON-PMACEKPBSA-N	0	0	352.342	2.302	10	10		FECERN
Cc1cnn([C@@H]2CCCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)c1	ZINC000106223621	543220296	/nfs/dbraw/zinc/22/02/96/543220296.db2.gz	MFICGBHFGLXHNO-LJQANCHMSA-N	0	0	355.486	2.211	10	10		FECERN
Cn1cc([C@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)cn1	ZINC000128022887	544028199	/nfs/dbraw/zinc/02/81/99/544028199.db2.gz	XXHAWGVWRNXANZ-KRWDZBQOSA-N	0	0	351.454	2.495	10	10		FECERN
Cc1cc(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c(C)n1-c1ccccn1	ZINC000174318213	546294867	/nfs/dbraw/zinc/29/48/67/546294867.db2.gz	RGPHBFODYNAFQB-HZPDHXFCSA-N	0	0	356.470	2.016	10	10		FECERN
C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1N1CCOCC1	ZINC000175683532	546333583	/nfs/dbraw/zinc/33/35/83/546333583.db2.gz	KOEIUWWERLGCFF-FXAWDEMLSA-N	0	0	372.513	2.149	10	10		FECERN
C[C@H]1OCCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000188494324	548280683	/nfs/dbraw/zinc/28/06/83/548280683.db2.gz	YWPCTXKSEKUEIB-CJNGLKHVSA-N	0	0	350.434	2.218	10	10		FECERN
C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@H]1N1CCOCC1	ZINC000245689381	548975363	/nfs/dbraw/zinc/97/53/63/548975363.db2.gz	BDBUCASWGVFBKW-IUODEOHRSA-N	0	0	355.276	2.307	10	10		FECERN
CCN1CCN(C2=NC(=O)/C(=C\c3ccc(OC)cc3OC)S2)CC1	ZINC000096594483	670761493	/nfs/dbraw/zinc/76/14/93/670761493.db2.gz	VEHGVJOOAMNQMB-LFIBNONCSA-N	0	0	361.467	2.312	10	10		FECERN
CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	ZINC000102010411	543054844	/nfs/dbraw/zinc/05/48/44/543054844.db2.gz	YDNKWBVSOOFGPF-OAHLLOKOSA-N	0	0	364.465	2.482	10	10		FECERN
COC(=O)CN(Cc1nnc(C2CC2)n1C)Cc1cc(Cl)ccc1O	ZINC000111238307	543388367	/nfs/dbraw/zinc/38/83/67/543388367.db2.gz	JBCNBAXROLWUBO-UHFFFAOYSA-N	0	0	364.833	2.227	10	10		FECERN
CCc1nc2n(n1)C[C@@H](NC(=O)N(CC)Cc1ccc(N(C)C)cc1)CC2	ZINC000114978373	543549067	/nfs/dbraw/zinc/54/90/67/543549067.db2.gz	KKRYRZXHBXDPLW-INIZCTEOSA-N	0	0	370.501	2.453	10	10		FECERN
CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	ZINC000158305918	545845683	/nfs/dbraw/zinc/84/56/83/545845683.db2.gz	LBOYERZBQLRBJX-SFHVURJKSA-N	0	0	358.486	2.343	10	10		FECERN
CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	ZINC000158305788	545846243	/nfs/dbraw/zinc/84/62/43/545846243.db2.gz	LBOYERZBQLRBJX-GOSISDBHSA-N	0	0	358.486	2.343	10	10		FECERN
C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCS1	ZINC000171742646	546223402	/nfs/dbraw/zinc/22/34/02/546223402.db2.gz	RCCMFAWNJOTZQY-ZDUSSCGKSA-N	0	0	353.463	2.309	10	10		FECERN
C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1N1CCOCC1	ZINC000175683514	546332969	/nfs/dbraw/zinc/33/29/69/546332969.db2.gz	KOEIUWWERLGCFF-YLJYHZDGSA-N	0	0	372.513	2.149	10	10		FECERN
CN1C(=O)CC[C@@H](C(=O)NCc2ccc(O)c(O)c2)[C@@H]1c1ccccc1	ZINC000182531685	547508449	/nfs/dbraw/zinc/50/84/49/547508449.db2.gz	NVBDKMGAMFWJBI-BEFAXECRSA-N	0	0	354.406	2.324	10	10		FECERN
Cc1noc([C@H]2COCCN2Cc2cc(Br)ccc2O)n1	ZINC000188475721	548279764	/nfs/dbraw/zinc/27/97/64/548279764.db2.gz	LLWDSUOHXDFENN-GFCCVEGCSA-N	0	0	354.204	2.420	10	10		FECERN
CCn1cc([C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)cn1	ZINC000191707370	548349040	/nfs/dbraw/zinc/34/90/40/548349040.db2.gz	JJYWFLRIFOUCRF-HXUWFJFHSA-N	0	0	356.470	2.313	10	10		FECERN
Cc1csc([C@H]2CN(CC(=O)NCc3ccc(N(C)C)cc3)CCO2)n1	ZINC000195390262	548633056	/nfs/dbraw/zinc/63/30/56/548633056.db2.gz	CRUOXQHWIVCZBL-QGZVFWFLSA-N	0	0	374.510	2.207	10	10		FECERN
COc1cc(O)c(CN2CCN(Cc3cnc(C)s3)CC2)cc1OC	ZINC000160171572	546013848	/nfs/dbraw/zinc/01/38/48/546013848.db2.gz	LREWAFUOEHMSRF-UHFFFAOYSA-N	0	0	363.483	2.492	10	10		FECERN
CN(C)c1ccc(CN(C)C(=O)CN2CCO[C@@H](c3nccs3)C2)cc1	ZINC000171662385	546217539	/nfs/dbraw/zinc/21/75/39/546217539.db2.gz	VJIXCDKHDQZEAL-QGZVFWFLSA-N	0	0	374.510	2.241	10	10		FECERN
O=C(N[C@H]1CCCn2ncnc21)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000176595682	546466292	/nfs/dbraw/zinc/46/62/92/546466292.db2.gz	YIDZJJVZEYHWIW-CVEARBPZSA-N	0	0	371.441	2.209	10	10		FECERN
CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCCN(c2cccnn2)C1	ZINC000181099654	547250266	/nfs/dbraw/zinc/25/02/66/547250266.db2.gz	MHMOQDURUIYSCL-HEWZJLJBSA-N	0	0	354.410	2.028	10	10		FECERN
Oc1ccc(Br)cc1CN1CCO[C@@H](Cn2cccn2)C1	ZINC000122145236	543703777	/nfs/dbraw/zinc/70/37/77/543703777.db2.gz	RZBKIXSCVOLAGZ-CQSZACIVSA-N	0	0	352.232	2.252	10	10		FECERN
CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000181099636	547250085	/nfs/dbraw/zinc/25/00/85/547250085.db2.gz	MHMOQDURUIYSCL-LOWQCSRCSA-N	0	0	354.410	2.028	10	10		FECERN
CN1C(=O)C[C@@H](C(=O)NCc2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1	ZINC000182516477	547506779	/nfs/dbraw/zinc/50/67/79/547506779.db2.gz	MZYFBDGCKHIITF-KDOFPFPSSA-N	0	0	358.369	2.073	10	10		FECERN
CCN1C(=O)C(=CN[C@@H](C)c2ccc(F)c(F)c2)C(=O)N(CC)C1=S	ZINC000072680454	670497149	/nfs/dbraw/zinc/49/71/49/670497149.db2.gz	MCTLTWGFYUQPLS-JTQLQIEISA-N	0	0	367.421	2.495	10	10		FECERN
COc1ccc(N2CCN(C(=O)c3cnc4nsnc4c3)CC2)cc1	ZINC000222607195	672792411	/nfs/dbraw/zinc/79/24/11/672792411.db2.gz	RMRVOTYACPDIHD-UHFFFAOYSA-N	0	0	355.423	2.057	10	10		FECERN
COC(=O)C1=C(C)N2C(=NC(=O)/C(=C\c3ccc(OC)cc3)C2=N)S1	ZINC000041074370	203781378	/nfs/dbraw/zinc/78/13/78/203781378.db2.gz	SEQVUPILCIDRIQ-PEMMUPCOSA-N	0	0	357.391	2.405	10	10		FECERN
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2nc(CC)nn2C1	ZINC000114977196	543549089	/nfs/dbraw/zinc/54/90/89/543549089.db2.gz	ASNLWDNZGCFVRN-OAHLLOKOSA-N	0	0	357.458	2.483	10	10		FECERN
CCCn1cc(CN2CCCN(C(=O)c3ccc(C)c(O)c3O)CC2)cn1	ZINC000182390492	547483767	/nfs/dbraw/zinc/48/37/67/547483767.db2.gz	HWNWMPQZWZKHFH-UHFFFAOYSA-N	0	0	372.469	2.361	10	10		FECERN
CN1C(=O)CC[C@@H](C(=O)NCc2ccc(O)c(O)c2)[C@H]1c1ccccc1	ZINC000182531665	547508977	/nfs/dbraw/zinc/50/89/77/547508977.db2.gz	NVBDKMGAMFWJBI-DNVCBOLYSA-N	0	0	354.406	2.324	10	10		FECERN
CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(N3CCCC3)cc1)CC2	ZINC000172310226	546246886	/nfs/dbraw/zinc/24/68/86/546246886.db2.gz	GFDSRBWZSGURCC-MRXNPFEDSA-N	0	0	368.485	2.255	10	10		FECERN
COc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1O	ZINC000041085008	540012335	/nfs/dbraw/zinc/01/23/35/540012335.db2.gz	CJRDTIOOZAQISO-GXGXXEIJSA-N	0	0	371.422	2.073	10	10		FECERN
CCOC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S	ZINC000006076264	203813532	/nfs/dbraw/zinc/81/35/32/203813532.db2.gz	PWAYDJQOOVYRKO-MDWZMJQESA-N	0	0	367.448	2.468	10	10		FECERN
COc1ccc(N2CCN(C(=O)N[C@@H](C)[C@@H]3CCCO3)CC2)cc1F	ZINC000084852747	542721407	/nfs/dbraw/zinc/72/14/07/542721407.db2.gz	XBNZCLJUFGOCKE-BBRMVZONSA-N	0	0	351.422	2.233	10	10		FECERN
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H]2c2ccco2)c1	ZINC000094152820	542954884	/nfs/dbraw/zinc/95/48/84/542954884.db2.gz	DCUVSFGHVYBFTQ-ZDUSSCGKSA-N	0	0	350.396	2.334	10	10		FECERN
CCN(CC)c1ncnc(N2CCN(c3ccc(OC)cc3)CC2)c1N	ZINC000040723158	136120132	/nfs/dbraw/zinc/12/01/32/136120132.db2.gz	ZDVFBALIEDQMJE-UHFFFAOYSA-N	0	0	356.474	2.240	10	10		FECERN
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cc1F	ZINC000112749971	543462878	/nfs/dbraw/zinc/46/28/78/543462878.db2.gz	FRCURZIUIHCMFH-AWEZNQCLSA-N	0	0	360.437	2.078	10	10		FECERN
CC(C)c1nnc2n1C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)CC2	ZINC000181535798	547329980	/nfs/dbraw/zinc/32/99/80/547329980.db2.gz	HABBCOAVFGMPBV-CQSZACIVSA-N	0	0	374.464	2.421	10	10		FECERN
CC[N@H+](CC(=O)[O-])C1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1	ZINC000186685072	548174171	/nfs/dbraw/zinc/17/41/71/548174171.db2.gz	DOVKLYVWKZWBHG-UHFFFAOYSA-N	0	0	352.406	2.105	10	10		FECERN
CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@@H]1c1cn[nH]c1)cc2=O	ZINC000114202697	543507549	/nfs/dbraw/zinc/50/75/49/543507549.db2.gz	OHODHBFGSHOENI-OAHLLOKOSA-N	0	0	370.413	2.062	10	10		FECERN
CCc1nnc([C@H]2CN(Cc3cc(Br)ccc3O)CCO2)[nH]1	ZINC000129218302	544098040	/nfs/dbraw/zinc/09/80/40/544098040.db2.gz	XFZPOOXKQSXLAR-CYBMUJFWSA-N	0	0	367.247	2.409	10	10		FECERN
CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)cc1	ZINC000175420136	546310396	/nfs/dbraw/zinc/31/03/96/546310396.db2.gz	OCPKQWGPFMVPJC-KRWDZBQOSA-N	0	0	372.473	2.242	10	10		FECERN
CC[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@@H+]1C[C@@H](C)O	ZINC000120705464	671933203	/nfs/dbraw/zinc/93/32/03/671933203.db2.gz	VCWIZOIQUVYJIY-BXUZGUMPSA-N	0	0	357.838	2.231	10	10		FECERN
CC(C)CN1C(=O)C(=CN[C@@H](C)c2ccc(F)c(F)c2)C(=O)NC1=S	ZINC000255216740	672886740	/nfs/dbraw/zinc/88/67/40/672886740.db2.gz	HSTIHVDKEGNIQQ-QVIVLVACSA-N	0	0	367.421	2.399	10	10		FECERN
O=C(NCc1ccco1)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O	ZINC000065239738	205326833	/nfs/dbraw/zinc/32/68/33/205326833.db2.gz	HLELIUJBVHSVTD-UHFFFAOYSA-N	0	0	362.382	2.334	10	10		FECERN
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H]2c2ccco2)c1	ZINC000094152819	542954584	/nfs/dbraw/zinc/95/45/84/542954584.db2.gz	DCUVSFGHVYBFTQ-CYBMUJFWSA-N	0	0	350.396	2.334	10	10		FECERN
C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1nnc2n1CCCC2	ZINC000153002816	544722398	/nfs/dbraw/zinc/72/23/98/544722398.db2.gz	HITBCJIRIWAQFR-GFCCVEGCSA-N	0	0	360.437	2.380	10	10		FECERN
Cc1cc(C(=O)N2CC(NC(=O)C3CCC3)C2)c(C)n1-c1ccccn1	ZINC000188569085	548282828	/nfs/dbraw/zinc/28/28/28/548282828.db2.gz	CWZUINFUKSHGPX-UHFFFAOYSA-N	0	0	352.438	2.230	10	10		FECERN
COc1ccc(N2CCN(C(=O)N[C@@H](C)[C@H]3CCCO3)CC2)cc1F	ZINC000084852749	542722154	/nfs/dbraw/zinc/72/21/54/542722154.db2.gz	XBNZCLJUFGOCKE-XJKSGUPXSA-N	0	0	351.422	2.233	10	10		FECERN
COc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(F)c3)CC2)cc1	ZINC000009858118	536675189	/nfs/dbraw/zinc/67/51/89/536675189.db2.gz	XCHAMTJJAANRPR-UHFFFAOYSA-N	0	0	357.385	2.122	10	10		FECERN
Cc1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(C)n1-c1ccccn1	ZINC000173806554	546287385	/nfs/dbraw/zinc/28/73/85/546287385.db2.gz	PBJJFDWGMKNUJP-BEFAXECRSA-N	0	0	368.481	2.282	10	10		FECERN
CN1C(=O)CC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)[C@H]1c1ccccc1	ZINC000179093757	546897914	/nfs/dbraw/zinc/89/79/14/546897914.db2.gz	ZBSXEYKHNCQYEN-OXQOHEQNSA-N	0	0	368.433	2.366	10	10		FECERN
CC(C)c1nnc2n1C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)CC2	ZINC000181736636	547370241	/nfs/dbraw/zinc/37/02/41/547370241.db2.gz	NTZXQZWWLLYLOS-OAHLLOKOSA-N	0	0	356.474	2.282	10	10		FECERN
CCN(CC)c1ccc(CNC(=O)N2CCCNC(=O)[C@H]2C)cc1F	ZINC000191380380	548344002	/nfs/dbraw/zinc/34/40/02/548344002.db2.gz	GGMOGUYVTYIHJX-CYBMUJFWSA-N	0	0	350.438	2.092	10	10		FECERN
Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)c(C)n1-c1ccc(Cl)cc1	ZINC000180268664	672412035	/nfs/dbraw/zinc/41/20/35/672412035.db2.gz	VQEOYARHWITNQY-INIZCTEOSA-N	0	0	361.829	2.074	10	10		FECERN
CC[C@H]1CN(Cc2cccc(Br)c2[O-])CC[N@@H+]1C[C@H](C)O	ZINC000245757048	672824050	/nfs/dbraw/zinc/82/40/50/672824050.db2.gz	OWWTYNKFRNWNQG-JSGCOSHPSA-N	0	0	357.292	2.432	10	10		FECERN
COc1ccccc1/C=C1/SC(=S)N(N2C(=O)CCCC2=O)C1=O	ZINC000083319181	206804929	/nfs/dbraw/zinc/80/49/29/206804929.db2.gz	UCWPRGDVJWQHLF-FMIVXFBMSA-N	0	0	362.432	2.351	10	10		FECERN
COC(=O)CCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S	ZINC000040938512	208275924	/nfs/dbraw/zinc/27/59/24/208275924.db2.gz	HJVYARQIUWHKBL-SEYXRHQNSA-N	0	0	362.432	2.163	10	10		FECERN
COC(=O)CCN1C(=O)/C(=C2/C(=O)Nc3ccc(C)cc32)SC1=S	ZINC000040937855	208276367	/nfs/dbraw/zinc/27/63/67/208276367.db2.gz	OKWMBEDCMUZXMK-SEYXRHQNSA-N	0	0	362.432	2.082	10	10		FECERN
CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])[C@H](O)C1	ZINC000702821628	673060321	/nfs/dbraw/zinc/06/03/21/673060321.db2.gz	ZFQXONUYYLIPAX-TZMCWYRMSA-N	0	0	356.850	2.363	10	10		FECERN
CCc1nnc([C@@H]2CN(Cc3cc(Br)ccc3O)CCO2)[nH]1	ZINC000129218104	544098023	/nfs/dbraw/zinc/09/80/23/544098023.db2.gz	XFZPOOXKQSXLAR-ZDUSSCGKSA-N	0	0	367.247	2.409	10	10		FECERN
CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1	ZINC000171903029	546229546	/nfs/dbraw/zinc/22/95/46/546229546.db2.gz	RGVNMEGRUIFVAS-IBGZPJMESA-N	0	0	371.485	2.340	10	10		FECERN
CNc1cc(N2CCC[C@H]2CNC(=O)N(C)Cc2ccccc2O)ncn1	ZINC000173422709	546281603	/nfs/dbraw/zinc/28/16/03/546281603.db2.gz	KNWOYMMALPFWIA-HNNXBMFYSA-N	0	0	370.457	2.034	10	10		FECERN
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCO1	ZINC000080010730	542557644	/nfs/dbraw/zinc/55/76/44/542557644.db2.gz	OXTJWULPCOPXNP-DYVFJYSZSA-N	0	0	351.422	2.029	10	10		FECERN
COCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000152832580	544701071	/nfs/dbraw/zinc/70/10/71/544701071.db2.gz	UKWTVTSSTPJDBC-MRXNPFEDSA-N	0	0	372.473	2.167	10	10		FECERN
COc1ccc(N2CCCN(C(=O)N[C@@H]3CCCn4ncnc43)CC2)cc1	ZINC000177336114	546596579	/nfs/dbraw/zinc/59/65/79/546596579.db2.gz	REVQPSJEOZHXLY-QGZVFWFLSA-N	0	0	370.457	2.044	10	10		FECERN
C[C@H](NC=C1C(=O)NC(=S)NC1=O)c1ccc(-c2ccccc2)cc1	ZINC000121035359	671940929	/nfs/dbraw/zinc/94/09/29/671940929.db2.gz	SUVYFSBVVRAYMP-LBPRGKRZSA-N	0	0	351.431	2.419	10	10		FECERN
CCN(CC)c1ccc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)cc1	ZINC000120508357	543681181	/nfs/dbraw/zinc/68/11/81/543681181.db2.gz	SQKIETURGWGXPB-UHFFFAOYSA-N	0	0	365.485	2.293	10	10		FECERN
CC(C)c1nc2n(n1)C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)CC2	ZINC000158087660	545821020	/nfs/dbraw/zinc/82/10/20/545821020.db2.gz	BYDRIIFYFIRZBZ-CQSZACIVSA-N	0	0	374.464	2.421	10	10		FECERN
COc1ccc(N2CCCN(C(=O)N[C@H]3CCCn4ncnc43)CC2)cc1	ZINC000177336129	546597000	/nfs/dbraw/zinc/59/70/00/546597000.db2.gz	REVQPSJEOZHXLY-KRWDZBQOSA-N	0	0	370.457	2.044	10	10		FECERN
CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)c1O	ZINC000177349977	546599441	/nfs/dbraw/zinc/59/94/41/546599441.db2.gz	UCBYDDPYVKUMKP-CQSZACIVSA-N	0	0	350.806	2.248	10	10		FECERN
NC(=O)C1CCN(C2=NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)CC1	ZINC000040570571	208257131	/nfs/dbraw/zinc/25/71/31/208257131.db2.gz	LILJWIUFBZADAX-DHDCSXOGSA-N	0	0	354.435	2.336	10	10		FECERN
Cc1ccccc1C(=O)N[C@@H](C(=O)NCc1ccc(O)c(O)c1)C(C)C	ZINC000159088583	545920815	/nfs/dbraw/zinc/92/08/15/545920815.db2.gz	UUVDFMCJTXLRAX-GOSISDBHSA-N	0	0	356.422	2.477	10	10		FECERN
C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1N1CCOCC1	ZINC000175683498	546333597	/nfs/dbraw/zinc/33/35/97/546333597.db2.gz	KOEIUWWERLGCFF-PXNSSMCTSA-N	0	0	372.513	2.149	10	10		FECERN
COC(=O)C1CCC(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1	ZINC000179939041	547031356	/nfs/dbraw/zinc/03/13/56/547031356.db2.gz	GCWZOLJKUXTCEL-UHFFFAOYSA-N	0	0	374.481	2.461	10	10		FECERN
COC(=O)CCN1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S	ZINC000005662044	207110203	/nfs/dbraw/zinc/11/02/03/207110203.db2.gz	SPMFTPJJCWOPDQ-XFXZXTDPSA-N	0	0	367.448	2.468	10	10		FECERN
O=C1c2ccccc2C(=O)c2c(NC[C@H]3CO3)ccc(NC[C@@H]3CO3)c21	ZINC000017142779	207614597	/nfs/dbraw/zinc/61/45/97/207614597.db2.gz	LGYRALFKRRVBET-TXEJJXNPSA-N	0	0	350.374	2.083	10	10		FECERN
CN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCCC2)SC1=S	ZINC000033437298	208092347	/nfs/dbraw/zinc/09/23/47/208092347.db2.gz	NYFCYAGZHNIGOT-ZRDIBKRKSA-N	0	0	372.475	2.126	10	10		FECERN
CN(C)c1ccc(CNC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cc1	ZINC000130797244	544165213	/nfs/dbraw/zinc/16/52/13/544165213.db2.gz	CIGYCSFXZNMZAS-GOSISDBHSA-N	0	0	368.485	2.353	10	10		FECERN
C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1nnc2n1CCCC2	ZINC000153002702	544722334	/nfs/dbraw/zinc/72/23/34/544722334.db2.gz	HITBCJIRIWAQFR-LBPRGKRZSA-N	0	0	360.437	2.380	10	10		FECERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000175807399	546353901	/nfs/dbraw/zinc/35/39/01/546353901.db2.gz	MXYUOYZHMOHXEV-QGZVFWFLSA-N	0	0	352.442	2.297	10	10		FECERN
Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCCSc1nccs1	ZINC000154378851	672215769	/nfs/dbraw/zinc/21/57/69/672215769.db2.gz	FNBSJXIOMRYABP-LLVKDONJSA-N	0	0	352.489	2.360	10	10		FECERN
CC1(C)OC(=O)C(C=Nc2ccc(I)cc2)C(=O)O1	ZINC000010121469	207294452	/nfs/dbraw/zinc/29/44/52/207294452.db2.gz	DWUBTMBPGBQFQQ-UHFFFAOYSA-N	0	0	373.146	2.423	10	10		FECERN
CN(C)c1ccc(CNC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cc1	ZINC000130797438	544165289	/nfs/dbraw/zinc/16/52/89/544165289.db2.gz	CIGYCSFXZNMZAS-SFHVURJKSA-N	0	0	368.485	2.353	10	10		FECERN
Cc1ccc(C(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)c(O)c1O	ZINC000182466174	547498139	/nfs/dbraw/zinc/49/81/39/547498139.db2.gz	DZDMQTLZIAUDGW-UHFFFAOYSA-N	0	0	372.425	2.015	10	10		FECERN
CC1=NN2C(=NC(=O)/C(=C\c3coc4ccc(O)cc4c3=O)C2=N)S1	ZINC000008470580	210098163	/nfs/dbraw/zinc/09/81/63/210098163.db2.gz	OLZVCDGMQSZCPG-NSOOENOZSA-N	0	0	354.347	2.138	10	10		FECERN
N=C1/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N=C2SC(c3cccnc3)=NN21	ZINC000041084243	210045070	/nfs/dbraw/zinc/04/50/70/210045070.db2.gz	VDHMBVIHFUNPTJ-ZHFXUQJZSA-N	0	0	368.334	2.250	10	10		FECERN
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)NC(N)=O)cc1	ZINC000110869252	543371055	/nfs/dbraw/zinc/37/10/55/543371055.db2.gz	IGKATIMYKQSZTC-CQSZACIVSA-N	0	0	370.453	2.351	10	10		FECERN
COC(=O)CN(Cc1nnc(C(C)C)n1C)Cc1cc(Cl)ccc1O	ZINC000111238244	543388692	/nfs/dbraw/zinc/38/86/92/543388692.db2.gz	JEGFUIGMOGAVMG-UHFFFAOYSA-N	0	0	366.849	2.473	10	10		FECERN
CCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)CC2	ZINC000114977043	543548783	/nfs/dbraw/zinc/54/87/83/543548783.db2.gz	PVERRCOHSWXEQB-OAHLLOKOSA-N	0	0	356.474	2.063	10	10		FECERN
CN1C(=O)CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)[C@@H]1c1ccccc1	ZINC000179093790	546898528	/nfs/dbraw/zinc/89/85/28/546898528.db2.gz	ZBSXEYKHNCQYEN-JXFKEZNVSA-N	0	0	368.433	2.366	10	10		FECERN
Cc1nnc([C@H]2CN(Cc3cc(Br)ccc3O)CCO2)[nH]1	ZINC000180104031	547052536	/nfs/dbraw/zinc/05/25/36/547052536.db2.gz	ZBVLDVKGTSTHFF-CYBMUJFWSA-N	0	0	353.220	2.155	10	10		FECERN
CC(C)CC(=O)N[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C(C)C	ZINC000185388110	547978414	/nfs/dbraw/zinc/97/84/14/547978414.db2.gz	WWCMOPRFBXAPQN-SCLBCKFNSA-N	0	0	350.459	2.332	10	10		FECERN
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1	ZINC000080010735	542558160	/nfs/dbraw/zinc/55/81/60/542558160.db2.gz	OXTJWULPCOPXNP-SUMWQHHRSA-N	0	0	351.422	2.029	10	10		FECERN
COC(=O)CCN1C(=O)/C(=C2/C(=O)Nc3c2cccc3C)SC1=S	ZINC000101740875	222281848	/nfs/dbraw/zinc/28/18/48/222281848.db2.gz	WNQVPAQHTNMCSM-QBFSEMIESA-N	0	0	362.432	2.082	10	10		FECERN
O=C1N=C(NCCCn2ccnc2)SC1=Cc1ccc2c(c1)CCO2	ZINC000168137094	546158825	/nfs/dbraw/zinc/15/88/25/546158825.db2.gz	NYSIWPJIULZPCZ-LFIBNONCSA-N	0	0	354.435	2.468	10	10		FECERN
CC[C@@H]1CN(Cc2cccc(Br)c2[O-])CC[N@@H+]1C[C@@H](C)O	ZINC000120731581	671933750	/nfs/dbraw/zinc/93/37/50/671933750.db2.gz	OWWTYNKFRNWNQG-TZMCWYRMSA-N	0	0	357.292	2.432	10	10		FECERN
Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)c(C)n1-c1cccc(Cl)c1	ZINC000180266502	672412113	/nfs/dbraw/zinc/41/21/13/672412113.db2.gz	DSQAJHNGMUTPLT-INIZCTEOSA-N	0	0	361.829	2.074	10	10		FECERN
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21	ZINC000045278409	540208534	/nfs/dbraw/zinc/20/85/34/540208534.db2.gz	SSGWWSVOMKRQKK-OAHLLOKOSA-N	0	0	360.435	2.452	10	10		FECERN
O=C1c2ccccc2C(=O)c2c(NC[C@@H]3CO3)ccc(NC[C@@H]3CO3)c21	ZINC000005117469	210602458	/nfs/dbraw/zinc/60/24/58/210602458.db2.gz	LGYRALFKRRVBET-VXGBXAGGSA-N	0	0	350.374	2.083	10	10		FECERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000175807384	546354521	/nfs/dbraw/zinc/35/45/21/546354521.db2.gz	MXYUOYZHMOHXEV-KRWDZBQOSA-N	0	0	352.442	2.297	10	10		FECERN
CCn1cc(CN2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)cn1	ZINC000180758643	547175171	/nfs/dbraw/zinc/17/51/71/547175171.db2.gz	KTGUZTUFVBZFRE-FNORWQNLSA-N	0	0	370.453	2.062	10	10		FECERN
Cc1noc([C@H]2COCCN2C(=O)c2cc(C)n(-c3ccccn3)c2C)n1	ZINC000183757421	547713092	/nfs/dbraw/zinc/71/30/92/547713092.db2.gz	KLRXDAONDVBQKX-MRXNPFEDSA-N	0	0	367.409	2.394	10	10		FECERN
C[C@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)c1ccccc1Br	ZINC000060864645	670390074	/nfs/dbraw/zinc/39/00/74/670390074.db2.gz	SOLUVQKHNROLID-VIFPVBQESA-N	0	0	366.215	2.034	10	10		FECERN
C[C@@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)c1ccccc1Br	ZINC000121026050	671940703	/nfs/dbraw/zinc/94/07/03/671940703.db2.gz	SOLUVQKHNROLID-SECBINFHSA-N	0	0	366.215	2.034	10	10		FECERN
O=C(NN1C(=O)/C(=C/c2cccnc2)SC1=S)c1ccccc1O	ZINC000016929945	211171754	/nfs/dbraw/zinc/17/17/54/211171754.db2.gz	LGJGTDSESBTCTG-JYRVWZFOSA-N	0	0	357.416	2.333	10	10		FECERN
Cc1cnn(CCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	ZINC000118080491	543644308	/nfs/dbraw/zinc/64/43/08/543644308.db2.gz	VRKHZXLKLBWMCJ-QGZVFWFLSA-N	0	0	358.442	2.288	10	10		FECERN
O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1[O-]	ZINC000128569417	544060678	/nfs/dbraw/zinc/06/06/78/544060678.db2.gz	AVBIRKWPRGUFRI-NSHDSACASA-N	0	0	351.794	2.458	10	10		FECERN
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000160945004	546087063	/nfs/dbraw/zinc/08/70/63/546087063.db2.gz	BNGWBXFMMODGRX-KRWDZBQOSA-N	0	0	368.485	2.425	10	10		FECERN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)n1	ZINC000181093708	547248176	/nfs/dbraw/zinc/24/81/76/547248176.db2.gz	WQEOLVRBKMHJGB-BVBGJJFLSA-N	0	0	356.426	2.258	10	10		FECERN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)n1	ZINC000181093688	547248805	/nfs/dbraw/zinc/24/88/05/547248805.db2.gz	WQEOLVRBKMHJGB-IQIBNGDESA-N	0	0	356.426	2.258	10	10		FECERN
CN1C(=O)CC[C@H](C(=O)NCc2ccc(O)c(O)c2)[C@@H]1c1ccccc1	ZINC000182531720	547508235	/nfs/dbraw/zinc/50/82/35/547508235.db2.gz	NVBDKMGAMFWJBI-KXBFYZLASA-N	0	0	354.406	2.324	10	10		FECERN
COc1cc(Cl)cc(CN2CCO[C@H](Cn3cc(C)cn3)C2)c1O	ZINC000184690850	547865928	/nfs/dbraw/zinc/86/59/28/547865928.db2.gz	GGRWZXMKZJUSJG-HNNXBMFYSA-N	0	0	351.834	2.460	10	10		FECERN
Cc1cnn(CCNC(=O)NCc2ccc(N3CCSCC3)cc2)c1	ZINC000118062071	671883698	/nfs/dbraw/zinc/88/36/98/671883698.db2.gz	ZAYIUFUSHNKCII-UHFFFAOYSA-N	0	0	359.499	2.244	10	10		FECERN
CC[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@@H+]1C[C@@H](C)O	ZINC000120705627	671932910	/nfs/dbraw/zinc/93/29/10/671932910.db2.gz	VCWIZOIQUVYJIY-RISCZKNCSA-N	0	0	357.838	2.231	10	10		FECERN
CC[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@@H+]1C[C@H](C)O	ZINC000245785107	672824595	/nfs/dbraw/zinc/82/45/95/672824595.db2.gz	VCWIZOIQUVYJIY-FZMZJTMJSA-N	0	0	357.838	2.231	10	10		FECERN
COc1ccc([C@@H]2CC(=O)NC(NC(=O)c3cccc(N(C)C)c3)=N2)cc1	ZINC000020924734	211300864	/nfs/dbraw/zinc/30/08/64/211300864.db2.gz	JAZFTFPOCVJKGS-KRWDZBQOSA-N	0	0	366.421	2.108	10	10		FECERN
CC(C)(C)n1cc(CN2CCN(Cc3cc4c(cc3O)OCO4)CC2)cn1	ZINC000113924740	543498510	/nfs/dbraw/zinc/49/85/10/543498510.db2.gz	QIRKDTQWDVFWQG-UHFFFAOYSA-N	0	0	372.469	2.390	10	10		FECERN
CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@H]1c1cn[nH]c1)cc2=O	ZINC000114202699	543507514	/nfs/dbraw/zinc/50/75/14/543507514.db2.gz	OHODHBFGSHOENI-HNNXBMFYSA-N	0	0	370.413	2.062	10	10		FECERN
COc1ccc(N2CCN(c3nc(C(F)(F)F)cc(=O)[nH]3)CC2)cc1	ZINC000057342474	536702229	/nfs/dbraw/zinc/70/22/29/536702229.db2.gz	LCTRCGBKMASLPB-UHFFFAOYSA-N	0	0	354.332	2.124	10	10		FECERN
CN1C(=O)CC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)[C@@H]1c1ccccc1	ZINC000179093770	546898635	/nfs/dbraw/zinc/89/86/35/546898635.db2.gz	ZBSXEYKHNCQYEN-UZLBHIALSA-N	0	0	368.433	2.366	10	10		FECERN
Cc1nnc([C@@H]2CN(Cc3cc(Br)cc(C)c3O)CCO2)[nH]1	ZINC000180612153	547141504	/nfs/dbraw/zinc/14/15/04/547141504.db2.gz	LLEDYMNEEOWTOQ-ZDUSSCGKSA-N	0	0	367.247	2.463	10	10		FECERN
CC(C)(C)n1cc(CN2CCN(C(=O)c3cccc(O)c3O)CC2)cn1	ZINC000193069619	548379111	/nfs/dbraw/zinc/37/91/11/548379111.db2.gz	XTWJWKDMRWOTKR-UHFFFAOYSA-N	0	0	358.442	2.007	10	10		FECERN
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@@H]1C(=O)OC	ZINC000075417049	670531021	/nfs/dbraw/zinc/53/10/21/670531021.db2.gz	GZXYQKBWMZTMRJ-NEPJUHHUSA-N	0	0	356.216	2.312	10	10		FECERN
OC[C@H]1CCCN1c1cc(NCCCSc2nccs2)ncn1	ZINC000156411142	672246225	/nfs/dbraw/zinc/24/62/25/672246225.db2.gz	IGBLBTWYMCHZGW-GFCCVEGCSA-N	0	0	351.501	2.489	10	10		FECERN
COc1ccc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1	ZINC000041084961	210044956	/nfs/dbraw/zinc/04/49/56/210044956.db2.gz	GNEXATHGFHZOOH-OVPUCLHSSA-N	0	0	355.423	2.368	10	10		FECERN
Cc1cc(C)n(C[C@@H]2CN(C(=O)NCc3ccc(N(C)C)cc3)CCO2)n1	ZINC000111416650	543401056	/nfs/dbraw/zinc/40/10/56/543401056.db2.gz	VPGXGPRUZOZGPV-IBGZPJMESA-N	0	0	371.485	2.177	10	10		FECERN
CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(N3CC=CC3)cc1)CC2	ZINC000155177130	544998320	/nfs/dbraw/zinc/99/83/20/544998320.db2.gz	IEEZNVKJLXFXFE-INIZCTEOSA-N	0	0	366.469	2.031	10	10		FECERN
CN1C(=O)C[C@@H](C(=O)NCc2ccc(O)c(O)c2)[C@H]1c1ccc(F)cc1	ZINC000182516460	547506116	/nfs/dbraw/zinc/50/61/16/547506116.db2.gz	MZYFBDGCKHIITF-RDTXWAMCSA-N	0	0	358.369	2.073	10	10		FECERN
CCc1nnc([C@H]2CN(Cc3cc(Cl)cc(OC)c3O)CCO2)[nH]1	ZINC000184670739	547863435	/nfs/dbraw/zinc/86/34/35/547863435.db2.gz	RCZRBEZSKWBFPH-CYBMUJFWSA-N	0	0	352.822	2.308	10	10		FECERN
CCc1nnc([C@@H]2CN(Cc3cc(Cl)cc(OC)c3O)CCO2)[nH]1	ZINC000184670720	547863626	/nfs/dbraw/zinc/86/36/26/547863626.db2.gz	RCZRBEZSKWBFPH-ZDUSSCGKSA-N	0	0	352.822	2.308	10	10		FECERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])C1	ZINC000702821626	673060082	/nfs/dbraw/zinc/06/00/82/673060082.db2.gz	ZFQXONUYYLIPAX-JSGCOSHPSA-N	0	0	356.850	2.363	10	10		FECERN
Nc1ccc(Oc2ccc(NC(=O)N[C@H]3C=CS(=O)(=O)C3)cc2)cc1	ZINC000040166594	540008825	/nfs/dbraw/zinc/00/88/25/540008825.db2.gz	HPDDIAMZSWOHBX-AWEZNQCLSA-N	0	0	359.407	2.493	10	10		FECERN
COC(=O)/C=C/c1ccc(N2CCC[C@@H](Cn3cncn3)C2)c([N+](=O)[O-])c1	ZINC000108847033	543305800	/nfs/dbraw/zinc/30/58/00/543305800.db2.gz	UVCZEUDLUGCMMK-KEDPEKRHSA-N	0	0	371.397	2.289	10	10		FECERN
CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCc4ncnn4C3)cc2)CC1	ZINC000112749796	543463030	/nfs/dbraw/zinc/46/30/30/543463030.db2.gz	ZSRUDOSSMGQKRP-QGZVFWFLSA-N	0	0	368.485	2.329	10	10		FECERN
CCc1nc2n(n1)C[C@H](NC(=O)c1cc(C)n(-c3ccccn3)c1C)CC2	ZINC000114869943	543542823	/nfs/dbraw/zinc/54/28/23/543542823.db2.gz	GTXXROVUZKHYMR-OAHLLOKOSA-N	0	0	364.453	2.388	10	10		FECERN
O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1[O-]	ZINC000128569684	544060315	/nfs/dbraw/zinc/06/03/15/544060315.db2.gz	AVBIRKWPRGUFRI-LLVKDONJSA-N	0	0	351.794	2.458	10	10		FECERN
N=C1/C(=C/c2ccc(O)c(O)c2)C(=O)N=C2SC(c3cccnc3)=NN21	ZINC000041084269	210044218	/nfs/dbraw/zinc/04/42/18/210044218.db2.gz	FJYZRJMLSBMRCV-IQANBRSTSA-N	0	0	365.374	2.160	10	10		FECERN
Nc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1	ZINC000040166588	540008870	/nfs/dbraw/zinc/00/88/70/540008870.db2.gz	XLFRWYKHOALHDO-CQSZACIVSA-N	0	0	361.423	2.370	10	10		FECERN
COc1ccc(CC(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)cc1OC	ZINC000021024240	211303637	/nfs/dbraw/zinc/30/36/37/211303637.db2.gz	WGIUFZLDACJSGD-UHFFFAOYSA-N	0	0	353.378	2.113	10	10		FECERN
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@@H]1C(=O)OC	ZINC000075417050	670531158	/nfs/dbraw/zinc/53/11/58/670531158.db2.gz	GZXYQKBWMZTMRJ-RYUDHWBXSA-N	0	0	356.216	2.312	10	10		FECERN
C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccc(F)cc1[O-]	ZINC000702763078	673058769	/nfs/dbraw/zinc/05/87/69/673058769.db2.gz	LWICEPZIKYKSOO-OZVIIMIRSA-N	0	0	354.422	2.410	10	10		FECERN
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCCN1CCOCC1	ZINC000022042233	220375081	/nfs/dbraw/zinc/37/50/81/220375081.db2.gz	AILSOHJPCWXRQW-VKAVYKQESA-N	0	0	360.433	2.134	10	10		FECERN
CN1C(=O)C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)[C@H]1c1ccc(F)cc1	ZINC000122806134	543724576	/nfs/dbraw/zinc/72/45/76/543724576.db2.gz	SHEWRGZDMKCALZ-DNVCBOLYSA-N	0	0	372.396	2.115	10	10		FECERN
O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@H](Cn2cccn2)C1	ZINC000171901753	546229914	/nfs/dbraw/zinc/22/99/14/546229914.db2.gz	BHHSESSQHDMZOM-IBGZPJMESA-N	0	0	369.469	2.094	10	10		FECERN
C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1N1CCOCC1	ZINC000175683479	546333459	/nfs/dbraw/zinc/33/34/59/546333459.db2.gz	KOEIUWWERLGCFF-XLIONFOSSA-N	0	0	372.513	2.149	10	10		FECERN
CC1CCN(c2ccc(CNC(=O)N3CCCNC(=O)[C@@H]3C)cc2)CC1	ZINC000191378343	548344082	/nfs/dbraw/zinc/34/40/82/548344082.db2.gz	SKRKMIQQJTUSDX-INIZCTEOSA-N	0	0	358.486	2.343	10	10		FECERN
C[C@H]1C[N@H+](Cc2cccc(Br)c2[O-])C[C@H]1N1CCOCC1	ZINC000245784939	672824471	/nfs/dbraw/zinc/82/44/71/672824471.db2.gz	VABBIJHXLARSKF-SWLSCSKDSA-N	0	0	355.276	2.307	10	10		FECERN
COC(=O)CCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S	ZINC000028048179	220559994	/nfs/dbraw/zinc/55/99/94/220559994.db2.gz	PHYVBVOYMYVMRF-FLIBITNWSA-N	0	0	352.393	2.359	10	10		FECERN
Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc2c(c1)CCCN2C	ZINC000083715779	542701136	/nfs/dbraw/zinc/70/11/36/542701136.db2.gz	NVMYLVLRVZDPNG-INIZCTEOSA-N	0	0	354.458	2.303	10	10		FECERN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)CC2	ZINC000158087826	545820732	/nfs/dbraw/zinc/82/07/32/545820732.db2.gz	BYDRIIFYFIRZBZ-AWEZNQCLSA-N	0	0	374.464	2.421	10	10		FECERN
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2C(=O)NC)cc1F	ZINC000158319818	545848133	/nfs/dbraw/zinc/84/81/33/545848133.db2.gz	JORKIQQZIGJCAK-MRXNPFEDSA-N	0	0	350.438	2.092	10	10		FECERN
CC(C)CC(=O)N[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C(C)C	ZINC000185388129	547978903	/nfs/dbraw/zinc/97/89/03/547978903.db2.gz	WWCMOPRFBXAPQN-ACJLOTCBSA-N	0	0	350.459	2.332	10	10		FECERN
CCOCCN1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C	ZINC000121555996	671952137	/nfs/dbraw/zinc/95/21/37/671952137.db2.gz	QEARBRRAAQVDBN-ZDUSSCGKSA-N	0	0	353.419	2.159	10	10		FECERN
N=C1/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N=C2SC(N3CCCCC3)=NN21	ZINC000041084809	540012414	/nfs/dbraw/zinc/01/24/14/540012414.db2.gz	CJAOVFGZRBVWNM-XMKMTVRSSA-N	0	0	374.382	2.250	10	10		FECERN
COC(=O)/C=C/c1ccc(N2CCC[C@H](Cn3cncn3)C2)c([N+](=O)[O-])c1	ZINC000108847029	543305643	/nfs/dbraw/zinc/30/56/43/543305643.db2.gz	UVCZEUDLUGCMMK-ZKKXHLJNSA-N	0	0	371.397	2.289	10	10		FECERN
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CNC(=O)C2)cc1	ZINC000110869244	543371369	/nfs/dbraw/zinc/37/13/69/543371369.db2.gz	DJVHSTAGEZASFI-MRXNPFEDSA-N	0	0	367.449	2.431	10	10		FECERN
CC1CCN(c2ccc(CNC(=O)N[C@H]3CCc4ncnn4C3)cc2)CC1	ZINC000112749797	543462921	/nfs/dbraw/zinc/46/29/21/543462921.db2.gz	ZSRUDOSSMGQKRP-KRWDZBQOSA-N	0	0	368.485	2.329	10	10		FECERN
Cc1cc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(C)n1-c1ccccn1	ZINC000173806528	546287426	/nfs/dbraw/zinc/28/74/26/546287426.db2.gz	PBJJFDWGMKNUJP-DNVCBOLYSA-N	0	0	368.481	2.282	10	10		FECERN
CC(=O)c1cc(Cl)cc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)c1O	ZINC000177349962	546599429	/nfs/dbraw/zinc/59/94/29/546599429.db2.gz	UCBYDDPYVKUMKP-AWEZNQCLSA-N	0	0	350.806	2.248	10	10		FECERN
CC(C)CC(=O)N[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C(C)C	ZINC000185388147	547978895	/nfs/dbraw/zinc/97/88/95/547978895.db2.gz	WWCMOPRFBXAPQN-FZKQIMNGSA-N	0	0	350.459	2.332	10	10		FECERN
COc1ccc(O[C@@H](C)C(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)cc1	ZINC000021024970	220349649	/nfs/dbraw/zinc/34/96/49/220349649.db2.gz	RKONBYHBRYUTQA-ZDUSSCGKSA-N	0	0	353.378	2.329	10	10		FECERN
COc1ccc(N2CCN(C(=O)N[C@H](C)[C@@H]3CCCO3)CC2)cc1F	ZINC000084852748	542722159	/nfs/dbraw/zinc/72/21/59/542722159.db2.gz	XBNZCLJUFGOCKE-CJNGLKHVSA-N	0	0	351.422	2.233	10	10		FECERN
CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000087252913	542744197	/nfs/dbraw/zinc/74/41/97/542744197.db2.gz	CYUBEHVKSRNIPD-AWEZNQCLSA-N	0	0	360.437	2.380	10	10		FECERN
CC[C@H](O)CN1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1	ZINC000106394664	543227989	/nfs/dbraw/zinc/22/79/89/543227989.db2.gz	WGTWPTREIGJRTM-KRWDZBQOSA-N	0	0	356.470	2.018	10	10		FECERN
CN1CCCc2cc(CNC(=O)N3CCC[C@@H](n4cncn4)C3)ccc21	ZINC000174447787	546296601	/nfs/dbraw/zinc/29/66/01/546296601.db2.gz	QFGHZCRHFHGVJX-QGZVFWFLSA-N	0	0	354.458	2.207	10	10		FECERN
COc1cccc(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)c1O	ZINC000179358998	546939279	/nfs/dbraw/zinc/93/92/79/546939279.db2.gz	HQVBMJHMHWMLNS-YJBOKZPZSA-N	0	0	372.396	2.376	10	10		FECERN
C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000188494298	548280632	/nfs/dbraw/zinc/28/06/32/548280632.db2.gz	YWPCTXKSEKUEIB-XJKSGUPXSA-N	0	0	350.434	2.218	10	10		FECERN
Cc1ccc(C(=O)c2coc3ccc([O-])c(C[NH+](CCO)CCO)c32)cc1	ZINC000004653922	539389386	/nfs/dbraw/zinc/38/93/86/539389386.db2.gz	KPOKWMXYPLBMIR-UHFFFAOYSA-N	0	0	369.417	2.464	10	10		FECERN
COc1cc(/C=C2/SC(=S)N(C(C)C)C2=O)ccc1OCC(N)=O	ZINC000020468895	220327088	/nfs/dbraw/zinc/32/70/88/220327088.db2.gz	IEMPPFBGOCBUQK-NTUHNPAUSA-N	0	0	366.464	2.169	10	10		FECERN
CCOc1ccc(Br)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O	ZINC000096193691	222070614	/nfs/dbraw/zinc/07/06/14/222070614.db2.gz	CXPLBXMBSVLQIC-UHFFFAOYSA-N	0	0	367.199	2.282	10	10		FECERN
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000160944874	546086728	/nfs/dbraw/zinc/08/67/28/546086728.db2.gz	BNGWBXFMMODGRX-QGZVFWFLSA-N	0	0	368.485	2.425	10	10		FECERN
Cc1cc(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c(C)n1-c1ccccn1	ZINC000173550902	546282934	/nfs/dbraw/zinc/28/29/34/546282934.db2.gz	KNINNWYBCCSAGJ-MRXNPFEDSA-N	0	0	366.425	2.129	10	10		FECERN
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1	ZINC000173787267	546286599	/nfs/dbraw/zinc/28/65/99/546286599.db2.gz	VWTDPLCTXQTDBY-LJQANCHMSA-N	0	0	360.502	2.149	10	10		FECERN
CN1CCCc2cc(CNC(=O)N3CCC[C@H](n4cncn4)C3)ccc21	ZINC000174447772	546296665	/nfs/dbraw/zinc/29/66/65/546296665.db2.gz	QFGHZCRHFHGVJX-KRWDZBQOSA-N	0	0	354.458	2.207	10	10		FECERN
CC(=O)c1cc(F)cc(CN2CCN(Cc3c(C)nn(C)c3C)CC2)c1O	ZINC000175649043	546327525	/nfs/dbraw/zinc/32/75/25/546327525.db2.gz	SHNSQJSAHLXBCV-UHFFFAOYSA-N	0	0	374.460	2.402	10	10		FECERN
Cc1cc(N=Nc2ccccc2)c(NC[C@H](O)[C@H](O)[C@H](O)CO)cc1C	ZINC000253982912	549699075	/nfs/dbraw/zinc/69/90/75/549699075.db2.gz	NARUXRZZSJCXFJ-OTWHNJEPSA-N	0	0	359.426	2.206	10	10		FECERN
CC[C@H]1CN(Cc2cccc(Br)c2[O-])CC[N@@H+]1C[C@@H](C)O	ZINC000120731732	671933849	/nfs/dbraw/zinc/93/38/49/671933849.db2.gz	OWWTYNKFRNWNQG-OCCSQVGLSA-N	0	0	357.292	2.432	10	10		FECERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])C1	ZINC000702821627	673060241	/nfs/dbraw/zinc/06/02/41/673060241.db2.gz	ZFQXONUYYLIPAX-OCCSQVGLSA-N	0	0	356.850	2.363	10	10		FECERN
Cc1cc(Cl)cc(CN2CCN(c3ccc4nncn4n3)CC2)c1O	ZINC000180081549	547048646	/nfs/dbraw/zinc/04/86/46/547048646.db2.gz	NUKHHGQPIRWZPC-UHFFFAOYSA-N	0	0	358.833	2.114	10	10		FECERN
CN1C(=O)C[C@H](C(=O)NCc2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1	ZINC000182516517	547506345	/nfs/dbraw/zinc/50/63/45/547506345.db2.gz	MZYFBDGCKHIITF-KSSFIOAISA-N	0	0	358.369	2.073	10	10		FECERN
C[C@@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1N1CCOCC1	ZINC000245813472	548998857	/nfs/dbraw/zinc/99/88/57/548998857.db2.gz	ZUZWZCFKMIGOEE-IAQYHMDHSA-N	0	0	355.822	2.106	10	10		FECERN
CC(C)CN1C(=O)C(=CN[C@@H](C)c2ccc(F)c(F)c2)C(=O)NC1=S	ZINC000072680456	670497318	/nfs/dbraw/zinc/49/73/18/670497318.db2.gz	HSTIHVDKEGNIQQ-BZPKPHBRSA-N	0	0	367.421	2.399	10	10		FECERN
CN1CCc2cc(Cn3ncc(I)c3N)ccc21	ZINC000050286984	221031356	/nfs/dbraw/zinc/03/13/56/221031356.db2.gz	HZAYLEQVCKVFOO-UHFFFAOYSA-N	0	0	354.195	2.111	10	10		FECERN
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H](n2cncn2)C1	ZINC000173993644	546289647	/nfs/dbraw/zinc/28/96/47/546289647.db2.gz	FUZLRKSXNYDEIY-SFHVURJKSA-N	0	0	354.458	2.425	10	10		FECERN
C[C@@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1N1CCOCC1	ZINC000180227769	547069787	/nfs/dbraw/zinc/06/97/87/547069787.db2.gz	ZUZWZCFKMIGOEE-ABAIWWIYSA-N	0	0	355.822	2.106	10	10		FECERN
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@H]1C(=O)OC	ZINC000075417057	670531148	/nfs/dbraw/zinc/53/11/48/670531148.db2.gz	GZXYQKBWMZTMRJ-NWDGAFQWSA-N	0	0	356.216	2.312	10	10		FECERN
CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCS[C@@H](C)C2)c1	ZINC000171604822	672333699	/nfs/dbraw/zinc/33/36/99/672333699.db2.gz	BTLOEVWKOQROMO-AWEZNQCLSA-N	0	0	364.511	2.364	10	10		FECERN
Nc1ccc(Oc2ccc(NC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1	ZINC000040166589	220894409	/nfs/dbraw/zinc/89/44/09/220894409.db2.gz	XLFRWYKHOALHDO-AWEZNQCLSA-N	0	0	361.423	2.370	10	10		FECERN
CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000087252915	542743791	/nfs/dbraw/zinc/74/37/91/542743791.db2.gz	CYUBEHVKSRNIPD-CQSZACIVSA-N	0	0	360.437	2.380	10	10		FECERN
CCc1nc2n(n1)C[C@H](NC(=O)N(CC)Cc1ccc(N(C)C)cc1)CC2	ZINC000114978371	543548908	/nfs/dbraw/zinc/54/89/08/543548908.db2.gz	KKRYRZXHBXDPLW-MRXNPFEDSA-N	0	0	370.501	2.453	10	10		FECERN
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCCC[C@@H]1CO	ZINC000175974281	546382800	/nfs/dbraw/zinc/38/28/00/546382800.db2.gz	VWUJIKSDKQJMAF-NVXWUHKLSA-N	0	0	365.449	2.013	10	10		FECERN
C[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000188494347	548280670	/nfs/dbraw/zinc/28/06/70/548280670.db2.gz	YWPCTXKSEKUEIB-BBRMVZONSA-N	0	0	350.434	2.218	10	10		FECERN
CN(Cc1ccc(N2CCOCC2)cc1)c1nccn2c1nnc2C1CC1	ZINC000302228932	553712541	/nfs/dbraw/zinc/71/25/41/553712541.db2.gz	XQGIWFCCCWDHQF-UHFFFAOYSA-N	0	0	364.453	2.475	10	10		FECERN
CCOc1ccc(/C=C2/SC(=S)N(N3C(=O)[C@@H]4C[C@@H]4C3=O)C2=O)cc1	ZINC000083303026	670657484	/nfs/dbraw/zinc/65/74/84/670657484.db2.gz	IHVWRDOPZQJCKF-MZJYZEPISA-N	0	0	374.443	2.206	10	10		FECERN
O=C1CCCN1C[C@H](O)CN1CCCc2cc(OC(F)(F)F)ccc21	ZINC000157583132	672260091	/nfs/dbraw/zinc/26/00/91/672260091.db2.gz	FIOLBXCFRIAASL-CYBMUJFWSA-N	0	0	358.360	2.321	10	10		FECERN