smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1[nH+]cccc1OCc1ccccc1CS(=O)(=O)c1ccccc1	ZINC000038894876	205023895	/nfs/dbraw/zinc/02/38/95/205023895.db2.gz	BGPPUVHHJZTTDF-UHFFFAOYSA-N	1	2	354.431	3.217	10	10		FGCELO
CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1	ZINC000092708460	700440261	/nfs/dbraw/zinc/44/02/61/700440261.db2.gz	MWBNOUVSDLCQFJ-CYBMUJFWSA-N	1	2	355.276	3.035	10	10		FGCELO
CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1	ZINC000092708460	700440264	/nfs/dbraw/zinc/44/02/64/700440264.db2.gz	MWBNOUVSDLCQFJ-CYBMUJFWSA-N	1	2	355.276	3.035	10	10		FGCELO
COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](c3nc(C)cs3)C2)c1O	ZINC000184686660	496493283	/nfs/dbraw/zinc/49/32/83/496493283.db2.gz	PYBZZELTJNSRLX-CQSZACIVSA-N	1	2	354.859	3.393	10	10		FGCELO
COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](c3nc(C)cs3)C2)c1O	ZINC000184686660	496493288	/nfs/dbraw/zinc/49/32/88/496493288.db2.gz	PYBZZELTJNSRLX-CQSZACIVSA-N	1	2	354.859	3.393	10	10		FGCELO
CCO[P@H](=O)[C@@H]([NH3+])c1c(Br)ccc(Br)c1O	ZINC000382740797	499546061	/nfs/dbraw/zinc/54/60/61/499546061.db2.gz	KQONBNQTNAFSFJ-SECBINFHSA-N	1	2	372.981	3.386	10	10		FGCELO
CCO[P@@H](=O)[C@@H]([NH3+])c1c(Br)ccc(Br)c1O	ZINC000382740797	499546062	/nfs/dbraw/zinc/54/60/62/499546062.db2.gz	KQONBNQTNAFSFJ-SECBINFHSA-N	1	2	372.981	3.386	10	10		FGCELO
COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1OC	ZINC000160082375	495880742	/nfs/dbraw/zinc/88/07/42/495880742.db2.gz	RPWMCCNUHUYMEN-OAHLLOKOSA-N	1	2	372.469	3.064	10	10		FGCELO
COc1cc(O)c(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1OC	ZINC000160082375	495880745	/nfs/dbraw/zinc/88/07/45/495880745.db2.gz	RPWMCCNUHUYMEN-OAHLLOKOSA-N	1	2	372.469	3.064	10	10		FGCELO
COc1cc(O)c(C[NH2+]C2(c3noc(C(C)C)n3)CCCC2)cc1OC	ZINC000160516955	495981015	/nfs/dbraw/zinc/98/10/15/495981015.db2.gz	CIJDSMZRUWPGAJ-UHFFFAOYSA-N	1	2	361.442	3.475	10	10		FGCELO
COc1ccc(N2CCN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)CC2)cc1	ZINC000110111967	494950216	/nfs/dbraw/zinc/95/02/16/494950216.db2.gz	UOHVZGHGJRCVRI-QGZVFWFLSA-N	1	2	367.497	3.048	10	10		FGCELO
COc1ccc(N2CCN(c3cc(N4CCC[C@@H](C)C4)nc[nH+]3)CC2)cc1	ZINC000110111967	494950217	/nfs/dbraw/zinc/95/02/17/494950217.db2.gz	UOHVZGHGJRCVRI-QGZVFWFLSA-N	1	2	367.497	3.048	10	10		FGCELO
Oc1ccc(Br)cc1C[N@@H+]1CCO[C@@H](c2nccs2)C1	ZINC000092831202	494767838	/nfs/dbraw/zinc/76/78/38/494767838.db2.gz	VCWGSSUMFBBAPV-CYBMUJFWSA-N	1	2	355.257	3.185	10	10		FGCELO
Oc1ccc(Br)cc1C[N@H+]1CCO[C@@H](c2nccs2)C1	ZINC000092831202	494767841	/nfs/dbraw/zinc/76/78/41/494767841.db2.gz	VCWGSSUMFBBAPV-CYBMUJFWSA-N	1	2	355.257	3.185	10	10		FGCELO
Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(Br)cc(F)c1O	ZINC000186096773	495854523	/nfs/dbraw/zinc/85/45/23/495854523.db2.gz	NVLUNVBVLMDTLL-ISVAXAHUSA-N	1	2	369.238	3.379	10	10		FGCELO
O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1[O-]	ZINC000092812568	700441487	/nfs/dbraw/zinc/44/14/87/700441487.db2.gz	AARIVUPTJAPRGN-LBPRGKRZSA-N	1	2	362.817	3.283	10	10		FGCELO
O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1[O-]	ZINC000092812568	700441489	/nfs/dbraw/zinc/44/14/89/700441489.db2.gz	AARIVUPTJAPRGN-LBPRGKRZSA-N	1	2	362.817	3.283	10	10		FGCELO
CN(c1cccnn1)C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1	ZINC000191334411	497783496	/nfs/dbraw/zinc/78/34/96/497783496.db2.gz	ZZKKXQZQKCDFDG-UHFFFAOYSA-N	1	2	350.825	3.076	10	10		FGCELO
C[C@@H]1CCCN(c2cc(NCc3ccc(N4CCOCC4)cc3)[nH+]cn2)C1	ZINC000110266741	494963314	/nfs/dbraw/zinc/96/33/14/494963314.db2.gz	BNQZWNVZNOSTGC-QGZVFWFLSA-N	1	2	367.497	3.162	10	10		FGCELO
C[C@@H]1CCCN(c2cc(NCc3ccc(N4CCOCC4)cc3)nc[nH+]2)C1	ZINC000110266741	494963317	/nfs/dbraw/zinc/96/33/17/494963317.db2.gz	BNQZWNVZNOSTGC-QGZVFWFLSA-N	1	2	367.497	3.162	10	10		FGCELO
FCCOc1ccc(N2CC[NH+](Cc3cc4ccccn4n3)CC2)cc1	ZINC000029133960	493819571	/nfs/dbraw/zinc/81/95/71/493819571.db2.gz	MUMVCUPHGPDDKM-UHFFFAOYSA-N	1	2	354.429	3.005	10	10		FGCELO
CC(=O)c1cc(Cl)cc(C[NH+]2CCC(Nc3cccnn3)CC2)c1O	ZINC000177126950	495937230	/nfs/dbraw/zinc/93/72/30/495937230.db2.gz	AAULWJDUCKZRLY-UHFFFAOYSA-N	1	2	360.845	3.115	10	10		FGCELO
COc1ccc(N2CCN(c3cc(N4CCC[C@H](C)C4)[nH+]cn3)CC2)cc1	ZINC000110111969	494949749	/nfs/dbraw/zinc/94/97/49/494949749.db2.gz	UOHVZGHGJRCVRI-KRWDZBQOSA-N	1	2	367.497	3.048	10	10		FGCELO
COc1ccc(N2CCN(c3cc(N4CCC[C@H](C)C4)nc[nH+]3)CC2)cc1	ZINC000110111969	494949754	/nfs/dbraw/zinc/94/97/54/494949754.db2.gz	UOHVZGHGJRCVRI-KRWDZBQOSA-N	1	2	367.497	3.048	10	10		FGCELO
CC[N@H+](Cc1nnc(C2CC2)n1C)Cc1cc(Br)ccc1O	ZINC000076118441	493825731	/nfs/dbraw/zinc/82/57/31/493825731.db2.gz	UTMBLWLMHLMQOG-UHFFFAOYSA-N	1	2	365.275	3.183	10	10		FGCELO
CC[N@@H+](Cc1nnc(C2CC2)n1C)Cc1cc(Br)ccc1O	ZINC000076118441	493825733	/nfs/dbraw/zinc/82/57/33/493825733.db2.gz	UTMBLWLMHLMQOG-UHFFFAOYSA-N	1	2	365.275	3.183	10	10		FGCELO
Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(Br)cc(F)c1O	ZINC000186096785	495854099	/nfs/dbraw/zinc/85/40/99/495854099.db2.gz	NVLUNVBVLMDTLL-OQPBUACISA-N	1	2	369.238	3.379	10	10		FGCELO
C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cc(Br)cc(F)c1O	ZINC000185662949	495667972	/nfs/dbraw/zinc/66/79/72/495667972.db2.gz	KSGWVRQVJUSLND-UFBFGSQYSA-N	1	2	355.211	3.071	10	10		FGCELO
COc1cc(O)c(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1OC	ZINC000160082518	495880893	/nfs/dbraw/zinc/88/08/93/495880893.db2.gz	RPWMCCNUHUYMEN-HNNXBMFYSA-N	1	2	372.469	3.064	10	10		FGCELO
COc1cc(O)c(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1OC	ZINC000160082518	495880899	/nfs/dbraw/zinc/88/08/99/495880899.db2.gz	RPWMCCNUHUYMEN-HNNXBMFYSA-N	1	2	372.469	3.064	10	10		FGCELO
CC(=O)c1ccc(NN=C(C(N)=O)[C@H]2[NH2+]C(C)(C)Cc3ccccc32)cc1	ZINC000100448401	222244362	/nfs/dbraw/zinc/24/43/62/222244362.db2.gz	WQFHCZGUBRVAAW-UBLSYGHESA-N	1	2	364.449	3.492	10	10		FGCELO
C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc(Br)cc(F)c1O	ZINC000185662911	495668452	/nfs/dbraw/zinc/66/84/52/495668452.db2.gz	KSGWVRQVJUSLND-QPUJVOFHSA-N	1	2	355.211	3.071	10	10		FGCELO
CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1O	ZINC000177093420	705605935	/nfs/dbraw/zinc/60/59/35/705605935.db2.gz	LISAGDPGTGTIKP-CYBMUJFWSA-N	1	2	363.845	3.394	10	10		FGCELO
CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1O	ZINC000177093420	705605945	/nfs/dbraw/zinc/60/59/45/705605945.db2.gz	LISAGDPGTGTIKP-CYBMUJFWSA-N	1	2	363.845	3.394	10	10		FGCELO
Cc1csc([C@@H]2C[N@H+](Cc3cc(Br)ccc3O)CCO2)n1	ZINC000092789698	494749564	/nfs/dbraw/zinc/74/95/64/494749564.db2.gz	YSJRYKYOACGXMG-AWEZNQCLSA-N	1	2	369.284	3.493	10	10		FGCELO
Cc1csc([C@@H]2C[N@@H+](Cc3cc(Br)ccc3O)CCO2)n1	ZINC000092789698	494749571	/nfs/dbraw/zinc/74/95/71/494749571.db2.gz	YSJRYKYOACGXMG-AWEZNQCLSA-N	1	2	369.284	3.493	10	10		FGCELO
Oc1ccc(Br)cc1C[N@@H+]1CCO[C@H](c2nccs2)C1	ZINC000092831201	494767982	/nfs/dbraw/zinc/76/79/82/494767982.db2.gz	VCWGSSUMFBBAPV-ZDUSSCGKSA-N	1	2	355.257	3.185	10	10		FGCELO
Oc1ccc(Br)cc1C[N@H+]1CCO[C@H](c2nccs2)C1	ZINC000092831201	494767987	/nfs/dbraw/zinc/76/79/87/494767987.db2.gz	VCWGSSUMFBBAPV-ZDUSSCGKSA-N	1	2	355.257	3.185	10	10		FGCELO
C[NH+]1CCN(C2=NC(=O)/C(=C\c3c(Cl)cccc3Cl)S2)CC1	ZINC000083317912	700347066	/nfs/dbraw/zinc/34/70/66/700347066.db2.gz	OYTKANKARLNNLC-UKTHLTGXSA-N	1	2	356.278	3.211	10	10		FGCELO
CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1O	ZINC000177093406	705605801	/nfs/dbraw/zinc/60/58/01/705605801.db2.gz	LISAGDPGTGTIKP-ZDUSSCGKSA-N	1	2	363.845	3.394	10	10		FGCELO
CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1O	ZINC000177093406	705605807	/nfs/dbraw/zinc/60/58/07/705605807.db2.gz	LISAGDPGTGTIKP-ZDUSSCGKSA-N	1	2	363.845	3.394	10	10		FGCELO
CC[N@H+](Cc1nnc(C(C)C)n1C)Cc1cc(Br)ccc1O	ZINC000174423818	495953328	/nfs/dbraw/zinc/95/33/28/495953328.db2.gz	BXHCOGADUHGPSH-UHFFFAOYSA-N	1	2	367.291	3.429	10	10		FGCELO
CC[N@@H+](Cc1nnc(C(C)C)n1C)Cc1cc(Br)ccc1O	ZINC000174423818	495953333	/nfs/dbraw/zinc/95/33/33/495953333.db2.gz	BXHCOGADUHGPSH-UHFFFAOYSA-N	1	2	367.291	3.429	10	10		FGCELO
Cc1nc(CN2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3O)CC2)no1	ZINC000179213210	496713930	/nfs/dbraw/zinc/71/39/30/496713930.db2.gz	IBEWCXGDMHCKBF-UHFFFAOYSA-N	1	2	371.268	3.098	10	10		FGCELO
Cc1nc(CN2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3O)CC2)no1	ZINC000179213210	496713932	/nfs/dbraw/zinc/71/39/32/496713932.db2.gz	IBEWCXGDMHCKBF-UHFFFAOYSA-N	1	2	371.268	3.098	10	10		FGCELO
CC(C)C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1nc(-c2nc[nH]n2)no1	ZINC000186363947	495965350	/nfs/dbraw/zinc/96/53/50/495965350.db2.gz	GSFYTLMOAVIFCD-ZWNOBZJWSA-N	1	2	360.393	3.137	10	10		FGCELO
CCn1c(C)nnc1C[N@H+](CC)Cc1cc(Br)ccc1O	ZINC000174424376	495952733	/nfs/dbraw/zinc/95/27/33/495952733.db2.gz	YWBDRQYZYYPJSU-UHFFFAOYSA-N	1	2	353.264	3.097	10	10		FGCELO
CCn1c(C)nnc1C[N@@H+](CC)Cc1cc(Br)ccc1O	ZINC000174424376	495952739	/nfs/dbraw/zinc/95/27/39/495952739.db2.gz	YWBDRQYZYYPJSU-UHFFFAOYSA-N	1	2	353.264	3.097	10	10		FGCELO
CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@@H]2c2nccs2)cc1	ZINC000195365045	496901966	/nfs/dbraw/zinc/90/19/66/496901966.db2.gz	KDEDBWJKTCILBC-GOSISDBHSA-N	1	2	372.538	3.395	10	10		FGCELO
CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCCC[C@@H]2c2nccs2)cc1	ZINC000195365045	496901972	/nfs/dbraw/zinc/90/19/72/496901972.db2.gz	KDEDBWJKTCILBC-GOSISDBHSA-N	1	2	372.538	3.395	10	10		FGCELO
CC(C)c1nc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)no1	ZINC000127804147	495000471	/nfs/dbraw/zinc/00/04/71/495000471.db2.gz	ADHAKWBCNAMDIB-SFHVURJKSA-N	1	2	356.470	3.367	10	10		FGCELO
CC(C)c1nc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)no1	ZINC000127804147	495000473	/nfs/dbraw/zinc/00/04/73/495000473.db2.gz	ADHAKWBCNAMDIB-SFHVURJKSA-N	1	2	356.470	3.367	10	10		FGCELO
COc1cc(Br)cc(C[NH+]2CCC(c3ccn[nH]3)CC2)c1O	ZINC000092810705	494756162	/nfs/dbraw/zinc/75/61/62/494756162.db2.gz	IQDAGOCSPUGLPE-UHFFFAOYSA-N	1	2	366.259	3.266	10	10		FGCELO
C[C@H]1CCCN(c2cc(NCc3ccc(N4CCOCC4)cc3)[nH+]cn2)C1	ZINC000110266744	494963368	/nfs/dbraw/zinc/96/33/68/494963368.db2.gz	BNQZWNVZNOSTGC-KRWDZBQOSA-N	1	2	367.497	3.162	10	10		FGCELO
C[C@H]1CCCN(c2cc(NCc3ccc(N4CCOCC4)cc3)nc[nH+]2)C1	ZINC000110266744	494963372	/nfs/dbraw/zinc/96/33/72/494963372.db2.gz	BNQZWNVZNOSTGC-KRWDZBQOSA-N	1	2	367.497	3.162	10	10		FGCELO
COc1cc(Br)cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1O	ZINC000245537298	713606604	/nfs/dbraw/zinc/60/66/04/713606604.db2.gz	IUHJIADQVSAZIJ-KGLIPLIRSA-N	1	2	356.260	3.307	10	10		FGCELO
COc1cc(Br)cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c1O	ZINC000245537298	713606606	/nfs/dbraw/zinc/60/66/06/713606606.db2.gz	IUHJIADQVSAZIJ-KGLIPLIRSA-N	1	2	356.260	3.307	10	10		FGCELO
COc1cc(Br)cc(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c1O	ZINC000131487107	700815988	/nfs/dbraw/zinc/81/59/88/700815988.db2.gz	OWNVLAVYYGULPA-JTQLQIEISA-N	1	2	374.275	3.325	10	10		FGCELO
COc1cc(Br)cc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c1O	ZINC000131487107	700815991	/nfs/dbraw/zinc/81/59/91/700815991.db2.gz	OWNVLAVYYGULPA-JTQLQIEISA-N	1	2	374.275	3.325	10	10		FGCELO
Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(Br)cc(F)c1O	ZINC000186096806	495854799	/nfs/dbraw/zinc/85/47/99/495854799.db2.gz	NVLUNVBVLMDTLL-AMIZOPFISA-N	1	2	369.238	3.379	10	10		FGCELO
CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@H]2c2nccs2)cc1	ZINC000195365051	496902075	/nfs/dbraw/zinc/90/20/75/496902075.db2.gz	KDEDBWJKTCILBC-SFHVURJKSA-N	1	2	372.538	3.395	10	10		FGCELO
CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCCC[C@H]2c2nccs2)cc1	ZINC000195365051	496902079	/nfs/dbraw/zinc/90/20/79/496902079.db2.gz	KDEDBWJKTCILBC-SFHVURJKSA-N	1	2	372.538	3.395	10	10		FGCELO
Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(Br)cc(F)c1O	ZINC000186096756	495854680	/nfs/dbraw/zinc/85/46/80/495854680.db2.gz	NVLUNVBVLMDTLL-SDBXPKJASA-N	1	2	369.238	3.379	10	10		FGCELO
COc1cc(Cl)cc(C[N@@H+]2CCO[C@H](c3nc(C)cs3)C2)c1O	ZINC000184686638	496493549	/nfs/dbraw/zinc/49/35/49/496493549.db2.gz	PYBZZELTJNSRLX-AWEZNQCLSA-N	1	2	354.859	3.393	10	10		FGCELO
COc1cc(Cl)cc(C[N@H+]2CCO[C@H](c3nc(C)cs3)C2)c1O	ZINC000184686638	496493554	/nfs/dbraw/zinc/49/35/54/496493554.db2.gz	PYBZZELTJNSRLX-AWEZNQCLSA-N	1	2	354.859	3.393	10	10		FGCELO
CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1	ZINC000177098343	705606135	/nfs/dbraw/zinc/60/61/35/705606135.db2.gz	JUGCRHFDIBQEGS-HNNXBMFYSA-N	1	2	352.862	3.129	10	10		FGCELO
CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1	ZINC000177098343	705606139	/nfs/dbraw/zinc/60/61/39/705606139.db2.gz	JUGCRHFDIBQEGS-HNNXBMFYSA-N	1	2	352.862	3.129	10	10		FGCELO
Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)/C=C/c3cccnc3)cc12	ZINC000008661080	494099318	/nfs/dbraw/zinc/09/93/18/494099318.db2.gz	MSYCOFRWQOSSMK-QPJJXVBHSA-N	1	2	374.444	3.427	10	10		FGCELO
CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)C2	ZINC000112746887	495235324	/nfs/dbraw/zinc/23/53/24/495235324.db2.gz	CGPLFGYMLOCLAO-UHFFFAOYSA-N	1	2	373.476	3.017	10	10		FGCELO
Cc1cc(Br)cc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1O	ZINC000180007613	495819870	/nfs/dbraw/zinc/81/98/70/495819870.db2.gz	IJDVYIRFSRAADL-CYBMUJFWSA-N	1	2	369.284	3.493	10	10		FGCELO
Cc1cc(Br)cc(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1O	ZINC000180007613	495819875	/nfs/dbraw/zinc/81/98/75/495819875.db2.gz	IJDVYIRFSRAADL-CYBMUJFWSA-N	1	2	369.284	3.493	10	10		FGCELO
CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1nc(-c2nc[nH]n2)no1	ZINC000186363892	495965648	/nfs/dbraw/zinc/96/56/48/495965648.db2.gz	GSFYTLMOAVIFCD-GWCFXTLKSA-N	1	2	360.393	3.137	10	10		FGCELO
CCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1	ZINC000092708461	700440053	/nfs/dbraw/zinc/44/00/53/700440053.db2.gz	MWBNOUVSDLCQFJ-ZDUSSCGKSA-N	1	2	355.276	3.035	10	10		FGCELO
CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1	ZINC000092708461	700440054	/nfs/dbraw/zinc/44/00/54/700440054.db2.gz	MWBNOUVSDLCQFJ-ZDUSSCGKSA-N	1	2	355.276	3.035	10	10		FGCELO
COc1cc(Br)cc(C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)c1O	ZINC000131487333	700816000	/nfs/dbraw/zinc/81/60/00/700816000.db2.gz	OWNVLAVYYGULPA-SNVBAGLBSA-N	1	2	374.275	3.325	10	10		FGCELO
COc1cc(Br)cc(C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)c1O	ZINC000131487333	700816002	/nfs/dbraw/zinc/81/60/02/700816002.db2.gz	OWNVLAVYYGULPA-SNVBAGLBSA-N	1	2	374.275	3.325	10	10		FGCELO
CC(=O)c1ccc(NN=C(C(N)=O)[C@H]2[NH2+]C(C)(C)Cc3ccccc32)cc1	ZINC000100448403	209213192	/nfs/dbraw/zinc/21/31/92/209213192.db2.gz	WQFHCZGUBRVAAW-RDFYUKQNSA-N	1	2	364.449	3.492	10	10		FGCELO
C[C@@H](C[NH2+]Cc1cccc(Br)c1O)N(C)C(=O)OC(C)(C)C	ZINC000309953078	713797698	/nfs/dbraw/zinc/79/76/98/713797698.db2.gz	PDYCWLPLNCLZFB-NSHDSACASA-N	1	2	373.291	3.500	10	10		FGCELO
CCO[P@@H](=O)[C@H]([NH3+])c1cc(Br)cc(Br)c1O	ZINC000382638868	499545484	/nfs/dbraw/zinc/54/54/84/499545484.db2.gz	KCVWELATSYTLQD-VIFPVBQESA-N	1	2	372.981	3.386	10	10		FGCELO
CCO[P@H](=O)[C@H]([NH3+])c1cc(Br)cc(Br)c1O	ZINC000382638868	499545483	/nfs/dbraw/zinc/54/54/83/499545483.db2.gz	KCVWELATSYTLQD-VIFPVBQESA-N	1	2	372.981	3.386	10	10		FGCELO
COc1cc(Br)cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1O	ZINC000091978761	700429577	/nfs/dbraw/zinc/42/95/77/700429577.db2.gz	IUHJIADQVSAZIJ-KBPBESRZSA-N	1	2	356.260	3.307	10	10		FGCELO
COc1cc(Br)cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1O	ZINC000091978761	700429582	/nfs/dbraw/zinc/42/95/82/700429582.db2.gz	IUHJIADQVSAZIJ-KBPBESRZSA-N	1	2	356.260	3.307	10	10		FGCELO
Cc1cc(Br)cc(C[N@H+]2CCO[C@H](c3nccs3)C2)c1O	ZINC000180007601	495820262	/nfs/dbraw/zinc/82/02/62/495820262.db2.gz	IJDVYIRFSRAADL-ZDUSSCGKSA-N	1	2	369.284	3.493	10	10		FGCELO
Cc1cc(Br)cc(C[N@@H+]2CCO[C@H](c3nccs3)C2)c1O	ZINC000180007601	495820257	/nfs/dbraw/zinc/82/02/57/495820257.db2.gz	IJDVYIRFSRAADL-ZDUSSCGKSA-N	1	2	369.284	3.493	10	10		FGCELO
CC(=O)c1ccc(NN=C(C(N)=O)[C@H]2[NH2+]C(C)(C)Cc3ccccc32)cc1	ZINC000100448396	222243926	/nfs/dbraw/zinc/24/39/26/222243926.db2.gz	WQFHCZGUBRVAAW-LJIFUJIGSA-N	1	2	364.449	3.492	10	10		FGCELO
COc1cc(Br)cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1O	ZINC000091978762	700429716	/nfs/dbraw/zinc/42/97/16/700429716.db2.gz	IUHJIADQVSAZIJ-UONOGXRCSA-N	1	2	356.260	3.307	10	10		FGCELO
COc1cc(Br)cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1O	ZINC000091978762	700429720	/nfs/dbraw/zinc/42/97/20/700429720.db2.gz	IUHJIADQVSAZIJ-UONOGXRCSA-N	1	2	356.260	3.307	10	10		FGCELO
COc1cc(Br)cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1O	ZINC000245537300	713606695	/nfs/dbraw/zinc/60/66/95/713606695.db2.gz	IUHJIADQVSAZIJ-ZIAGYGMSSA-N	1	2	356.260	3.307	10	10		FGCELO
COc1cc(Br)cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1O	ZINC000245537300	713606698	/nfs/dbraw/zinc/60/66/98/713606698.db2.gz	IUHJIADQVSAZIJ-ZIAGYGMSSA-N	1	2	356.260	3.307	10	10		FGCELO
Cc1csc([C@H]2C[N@H+](Cc3cc(Br)ccc3O)CCO2)n1	ZINC000092789699	494749977	/nfs/dbraw/zinc/74/99/77/494749977.db2.gz	YSJRYKYOACGXMG-CQSZACIVSA-N	1	2	369.284	3.493	10	10		FGCELO
Cc1csc([C@H]2C[N@@H+](Cc3cc(Br)ccc3O)CCO2)n1	ZINC000092789699	494749983	/nfs/dbraw/zinc/74/99/83/494749983.db2.gz	YSJRYKYOACGXMG-CQSZACIVSA-N	1	2	369.284	3.493	10	10		FGCELO
CC(C)c1nc([C@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)no1	ZINC000127804387	495000887	/nfs/dbraw/zinc/00/08/87/495000887.db2.gz	ADHAKWBCNAMDIB-GOSISDBHSA-N	1	2	356.470	3.367	10	10		FGCELO
CC(C)c1nc([C@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)no1	ZINC000127804387	495000891	/nfs/dbraw/zinc/00/08/91/495000891.db2.gz	ADHAKWBCNAMDIB-GOSISDBHSA-N	1	2	356.470	3.367	10	10		FGCELO
COC[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1O	ZINC000132562612	700829004	/nfs/dbraw/zinc/82/90/04/700829004.db2.gz	RYOXMEPDPJAKHZ-ZETCQYMHSA-N	1	2	353.054	3.042	10	10		FGCELO
CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1	ZINC000177098326	705605603	/nfs/dbraw/zinc/60/56/03/705605603.db2.gz	JUGCRHFDIBQEGS-OAHLLOKOSA-N	1	2	352.862	3.129	10	10		FGCELO
CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1	ZINC000177098326	705605618	/nfs/dbraw/zinc/60/56/18/705605618.db2.gz	JUGCRHFDIBQEGS-OAHLLOKOSA-N	1	2	352.862	3.129	10	10		FGCELO
C[C@H](C[NH2+]Cc1cccc(Br)c1O)N(C)C(=O)OC(C)(C)C	ZINC000309953077	713797612	/nfs/dbraw/zinc/79/76/12/713797612.db2.gz	PDYCWLPLNCLZFB-LLVKDONJSA-N	1	2	373.291	3.500	10	10		FGCELO
CC[NH+](CC)c1ccc(NS(=O)(=O)c2cccc3nonc32)c(C)c1	ZINC000006914307	493987562	/nfs/dbraw/zinc/98/75/62/493987562.db2.gz	PFNRWAKAWDXVDY-UHFFFAOYSA-N	1	2	360.439	3.178	10	10		FGCELO
C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cc(Br)cc(F)c1O	ZINC000185662968	495668392	/nfs/dbraw/zinc/66/83/92/495668392.db2.gz	KSGWVRQVJUSLND-PELKAZGASA-N	1	2	355.211	3.071	10	10		FGCELO
O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1[O-]	ZINC000092812569	700441458	/nfs/dbraw/zinc/44/14/58/700441458.db2.gz	AARIVUPTJAPRGN-GFCCVEGCSA-N	1	2	362.817	3.283	10	10		FGCELO
O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1[O-]	ZINC000092812569	700441459	/nfs/dbraw/zinc/44/14/59/700441459.db2.gz	AARIVUPTJAPRGN-GFCCVEGCSA-N	1	2	362.817	3.283	10	10		FGCELO
CC(=O)c1cc(Cl)cc(C[NH+]2CCC(N(C)c3cccnn3)CC2)c1O	ZINC000177127199	495937079	/nfs/dbraw/zinc/93/70/79/495937079.db2.gz	MQOGHZWIUFOHDP-UHFFFAOYSA-N	1	2	374.872	3.139	10	10		FGCELO
CC(C)C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1nc(-c2nc[nH]n2)no1	ZINC000186363910	495965024	/nfs/dbraw/zinc/96/50/24/495965024.db2.gz	GSFYTLMOAVIFCD-GXFFZTMASA-N	1	2	360.393	3.137	10	10		FGCELO
CC(=O)c1ccc(NN=C(C(N)=O)[C@H]2[NH2+]C(C)(C)Cc3ccccc32)cc1	ZINC000100448398	222244356	/nfs/dbraw/zinc/24/43/56/222244356.db2.gz	WQFHCZGUBRVAAW-QWVLCHBDSA-N	1	2	364.449	3.492	10	10		FGCELO
C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc(Br)cc(F)c1O	ZINC000185662926	495668595	/nfs/dbraw/zinc/66/85/95/495668595.db2.gz	KSGWVRQVJUSLND-PRHODGIISA-N	1	2	355.211	3.071	10	10		FGCELO
CC(C)C[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1nc(-c2nc[nH]n2)no1	ZINC000186363929	495965696	/nfs/dbraw/zinc/96/56/96/495965696.db2.gz	GSFYTLMOAVIFCD-MFKMUULPSA-N	1	2	360.393	3.137	10	10		FGCELO