smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O	ZINC000848519238	661660718	/nfs/dbraw/zinc/66/07/18/661660718.db2.gz	QSYMGTWKPFFVJP-LBPRGKRZSA-N	2	1	375.307	2.782	20	10		GFCDMP
C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(C)cc(Br)c2O)CC1	ZINC000853248312	661886123	/nfs/dbraw/zinc/88/61/23/661886123.db2.gz	RQQVZHFUFANWKU-UHFFFAOYSA-N	2	1	398.345	2.543	20	10		GFCDMP
CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1cc(Br)ccc1O	ZINC000903898213	663810607	/nfs/dbraw/zinc/81/06/07/663810607.db2.gz	MLLHWTHHIMEVBV-OAHLLOKOSA-N	2	1	394.317	2.693	20	10		GFCDMP
CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1cc(Br)ccc1O	ZINC000903898213	663810608	/nfs/dbraw/zinc/81/06/08/663810608.db2.gz	MLLHWTHHIMEVBV-OAHLLOKOSA-N	2	1	394.317	2.693	20	10		GFCDMP
CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](C[NH3+])Cc1cnn(C)c1C	ZINC000903897355	663810667	/nfs/dbraw/zinc/81/06/67/663810667.db2.gz	HTGMZTLHPRVFCB-CQSZACIVSA-N	2	1	395.345	2.836	20	10		GFCDMP
Cc1cc(Br)c(O)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1	ZINC000903980378	663814840	/nfs/dbraw/zinc/81/48/40/663814840.db2.gz	PSSOGCALJABGET-CALCHBBNSA-N	2	1	394.357	2.864	20	10		GFCDMP
O[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)C[NH+]1CCCC1	ZINC000838912366	661063167	/nfs/dbraw/zinc/06/31/67/661063167.db2.gz	IPLXIVZZDIFNRY-KRWDZBQOSA-N	2	1	396.373	2.986	20	10		GFCDMP
Cc1cc(Br)cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1O	ZINC000779022613	656897816	/nfs/dbraw/zinc/89/78/16/656897816.db2.gz	VOGAMIAQCLDBSI-KBPBESRZSA-N	2	1	398.345	2.701	20	10		GFCDMP
CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)ccc1O)C2	ZINC000922389377	664598422	/nfs/dbraw/zinc/59/84/22/664598422.db2.gz	UBOTWWDXUIQNEE-VDHUWJSZSA-N	2	1	383.330	2.724	20	10		GFCDMP
CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)ccc1O)C2	ZINC000922389369	664598455	/nfs/dbraw/zinc/59/84/55/664598455.db2.gz	UBOTWWDXUIQNEE-BGTYHANMSA-N	2	1	383.330	2.724	20	10		GFCDMP
[O-]c1c(F)cc(Br)cc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO	ZINC000882991150	663046141	/nfs/dbraw/zinc/04/61/41/663046141.db2.gz	NMLADWPCFBKCSZ-CQSZACIVSA-N	2	1	375.282	2.620	20	10		GFCDMP
Cc1cc(Br)cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1O	ZINC000779022615	656897666	/nfs/dbraw/zinc/89/76/66/656897666.db2.gz	VOGAMIAQCLDBSI-UONOGXRCSA-N	2	1	398.345	2.701	20	10		GFCDMP
C[N@H+](Cc1cccc(Br)c1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000809740512	659937810	/nfs/dbraw/zinc/93/78/10/659937810.db2.gz	BYNHIGVLRLSGDW-INIZCTEOSA-N	2	1	382.346	2.755	20	10		GFCDMP
C[N@@H+](Cc1cccc(Br)c1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000809740512	659937817	/nfs/dbraw/zinc/93/78/17/659937817.db2.gz	BYNHIGVLRLSGDW-INIZCTEOSA-N	2	1	382.346	2.755	20	10		GFCDMP
CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](C[NH3+])Cc1cnn(C)c1C	ZINC000903897354	663810382	/nfs/dbraw/zinc/81/03/82/663810382.db2.gz	HTGMZTLHPRVFCB-AWEZNQCLSA-N	2	1	395.345	2.836	20	10		GFCDMP
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1O)C2	ZINC000922388077	664598226	/nfs/dbraw/zinc/59/82/26/664598226.db2.gz	NZLLJDSYHSTWPA-XYVMCAHJSA-N	2	1	383.330	2.724	20	10		GFCDMP
CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1O)C2	ZINC000922388077	664598228	/nfs/dbraw/zinc/59/82/28/664598228.db2.gz	NZLLJDSYHSTWPA-XYVMCAHJSA-N	2	1	383.330	2.724	20	10		GFCDMP
CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1c(O)cccc1Br)C2	ZINC000922391577	664598776	/nfs/dbraw/zinc/59/87/76/664598776.db2.gz	WSCOWQPVCSNWHJ-BGTYHANMSA-N	2	1	383.330	2.724	20	10		GFCDMP
Cc1cc(Br)c(O)c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1	ZINC000809736875	659937660	/nfs/dbraw/zinc/93/76/60/659937660.db2.gz	MFWVCMHKFQUSAL-UHFFFAOYSA-N	2	1	396.373	2.923	20	10		GFCDMP
O[C@H](C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)C[NH+]1CCCC1	ZINC000838912367	661063286	/nfs/dbraw/zinc/06/32/86/661063286.db2.gz	IPLXIVZZDIFNRY-QGZVFWFLSA-N	2	1	396.373	2.986	20	10		GFCDMP
C[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000368050673	563862675	/nfs/dbraw/zinc/86/26/75/563862675.db2.gz	HBRDBHFSMPDRTE-KRWDZBQOSA-N	2	1	382.346	2.755	20	10		GFCDMP
CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1cc(Br)ccc1O	ZINC000903898212	663810738	/nfs/dbraw/zinc/81/07/38/663810738.db2.gz	MLLHWTHHIMEVBV-HNNXBMFYSA-N	2	1	394.317	2.693	20	10		GFCDMP
CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1cc(Br)ccc1O	ZINC000903898212	663810740	/nfs/dbraw/zinc/81/07/40/663810740.db2.gz	MLLHWTHHIMEVBV-HNNXBMFYSA-N	2	1	394.317	2.693	20	10		GFCDMP
CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Br)ccc3O)C2)CC1	ZINC000371338274	563272915	/nfs/dbraw/zinc/27/29/15/563272915.db2.gz	ZZZHCQFJXSZTOZ-QGZVFWFLSA-N	2	1	382.346	2.755	20	10		GFCDMP
CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C)cc(Br)c2O)CC1	ZINC000825275435	660417902	/nfs/dbraw/zinc/41/79/02/660417902.db2.gz	MYWUBGKFIACUDM-UHFFFAOYSA-N	2	1	384.362	2.969	20	10		GFCDMP
CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Br)ccc1O	ZINC000775501179	656644250	/nfs/dbraw/zinc/64/42/50/656644250.db2.gz	CHPCDLGWAKICHP-CZUORRHYSA-N	2	1	398.345	2.783	20	10		GFCDMP
[O-]c1c(F)cc(Br)cc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO	ZINC000882991149	663046166	/nfs/dbraw/zinc/04/61/66/663046166.db2.gz	NMLADWPCFBKCSZ-AWEZNQCLSA-N	2	1	375.282	2.620	20	10		GFCDMP
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1O)C2	ZINC000922388072	664598180	/nfs/dbraw/zinc/59/81/80/664598180.db2.gz	NZLLJDSYHSTWPA-JOCBIADPSA-N	2	1	383.330	2.724	20	10		GFCDMP
CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1O)C2	ZINC000922388072	664598181	/nfs/dbraw/zinc/59/81/81/664598181.db2.gz	NZLLJDSYHSTWPA-JOCBIADPSA-N	2	1	383.330	2.724	20	10		GFCDMP
C[N@@H+](Cc1ccc(Br)cc1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000825916172	660445454	/nfs/dbraw/zinc/44/54/54/660445454.db2.gz	KBMPGZRPZZWNLP-KRWDZBQOSA-N	2	1	382.346	2.755	20	10		GFCDMP
CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1c(O)cccc1Br)C2	ZINC000922391580	664598800	/nfs/dbraw/zinc/59/88/00/664598800.db2.gz	WSCOWQPVCSNWHJ-VDHUWJSZSA-N	2	1	383.330	2.724	20	10		GFCDMP
C[N@H+](Cc1cccc(Br)c1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000809740513	659937683	/nfs/dbraw/zinc/93/76/83/659937683.db2.gz	BYNHIGVLRLSGDW-MRXNPFEDSA-N	2	1	382.346	2.755	20	10		GFCDMP
C[N@@H+](Cc1cccc(Br)c1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000809740513	659937686	/nfs/dbraw/zinc/93/76/86/659937686.db2.gz	BYNHIGVLRLSGDW-MRXNPFEDSA-N	2	1	382.346	2.755	20	10		GFCDMP
COc1cc(Br)cc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1O	ZINC000848523441	661661033	/nfs/dbraw/zinc/66/10/33/661661033.db2.gz	FMNDFJUYPJOQJA-GFCCVEGCSA-N	2	1	387.318	2.661	20	10		GFCDMP
CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)ccc1O)C2	ZINC000922389374	664598508	/nfs/dbraw/zinc/59/85/08/664598508.db2.gz	UBOTWWDXUIQNEE-NRSFXHEJSA-N	2	1	383.330	2.724	20	10		GFCDMP
Brc1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)ccc1N1CCCCC1	ZINC000841088396	661231915	/nfs/dbraw/zinc/23/19/15/661231915.db2.gz	ZZYVBNRCSZLTMM-INIZCTEOSA-N	2	1	382.346	2.908	20	10		GFCDMP
Brc1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)ccc1N1CCCCC1	ZINC000841088397	661232049	/nfs/dbraw/zinc/23/20/49/661232049.db2.gz	ZZYVBNRCSZLTMM-MRXNPFEDSA-N	2	1	382.346	2.908	20	10		GFCDMP
CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1	ZINC000843359552	661378603	/nfs/dbraw/zinc/37/86/03/661378603.db2.gz	WGSQRDZVNHXLDE-HKUYNNGSSA-N	2	1	393.325	2.908	20	10		GFCDMP
C[N@@H+](Cc1ccc(Br)cc1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000825916173	660445489	/nfs/dbraw/zinc/44/54/89/660445489.db2.gz	KBMPGZRPZZWNLP-QGZVFWFLSA-N	2	1	382.346	2.755	20	10		GFCDMP
C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(N2CCCCC2)c(Br)c1	ZINC000843053369	661365488	/nfs/dbraw/zinc/36/54/88/661365488.db2.gz	YECRPIRXWKOINE-UHFFFAOYSA-N	2	1	395.389	2.776	20	10		GFCDMP
Cc1cc(Br)c(O)c(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1	ZINC000816620571	660163087	/nfs/dbraw/zinc/16/30/87/660163087.db2.gz	AVUBAEKFQRFPPA-UHFFFAOYSA-N	2	1	398.345	2.545	20	10		GFCDMP
COc1cc(Br)cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1O	ZINC000762481915	656043932	/nfs/dbraw/zinc/04/39/32/656043932.db2.gz	JGYZVZNEGRQQES-CYBMUJFWSA-N	2	1	387.318	2.754	20	10		GFCDMP
COc1cc(Br)cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1O	ZINC000762481915	656043936	/nfs/dbraw/zinc/04/39/36/656043936.db2.gz	JGYZVZNEGRQQES-CYBMUJFWSA-N	2	1	387.318	2.754	20	10		GFCDMP
C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccnc3Br)cc2)CC1	ZINC000883282902	663052242	/nfs/dbraw/zinc/05/22/42/663052242.db2.gz	KIYJROWFPNKXJN-UHFFFAOYSA-N	2	1	375.314	2.886	20	10		GFCDMP
Oc1ccc(Br)cc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1	ZINC000903980235	663815017	/nfs/dbraw/zinc/81/50/17/663815017.db2.gz	KZXTUVDOAXDRDB-CALCHBBNSA-N	2	1	380.330	2.555	20	10		GFCDMP
C[N@@H+](CCn1cc(Br)cn1)Cc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000809792786	659939354	/nfs/dbraw/zinc/93/93/54/659939354.db2.gz	GYNQPDJUCSVBPQ-UHFFFAOYSA-N	2	1	392.345	2.529	20	10		GFCDMP
COc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1O	ZINC000844901921	661448743	/nfs/dbraw/zinc/44/87/43/661448743.db2.gz	JCIPATNTKKUZSD-RCBQFDQVSA-N	2	1	399.329	2.882	20	10		GFCDMP
CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Br)cc(C)c3O)C2)CC1	ZINC000180068923	552211918	/nfs/dbraw/zinc/21/19/18/552211918.db2.gz	YQLFYZSZJSSHNO-KRWDZBQOSA-N	2	1	382.346	2.675	20	10		GFCDMP
Cc1cc(Br)cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1O	ZINC000841087686	661231852	/nfs/dbraw/zinc/23/18/52/661231852.db2.gz	QIXOGFCSOMDTOV-UHFFFAOYSA-N	2	1	382.346	2.769	20	10		GFCDMP
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1O)C2	ZINC000922388070	664598202	/nfs/dbraw/zinc/59/82/02/664598202.db2.gz	NZLLJDSYHSTWPA-AHCXZYCDSA-N	2	1	383.330	2.724	20	10		GFCDMP
CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1O)C2	ZINC000922388070	664598204	/nfs/dbraw/zinc/59/82/04/664598204.db2.gz	NZLLJDSYHSTWPA-AHCXZYCDSA-N	2	1	383.330	2.724	20	10		GFCDMP
CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Br)ccc1O	ZINC000775501177	656644184	/nfs/dbraw/zinc/64/41/84/656644184.db2.gz	CHPCDLGWAKICHP-CJNGLKHVSA-N	2	1	398.345	2.783	20	10		GFCDMP
COc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1O	ZINC000844901920	661448684	/nfs/dbraw/zinc/44/86/84/661448684.db2.gz	JCIPATNTKKUZSD-MAZHCROVSA-N	2	1	399.329	2.882	20	10		GFCDMP
COc1cc(Br)cc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1O	ZINC000848523442	661660973	/nfs/dbraw/zinc/66/09/73/661660973.db2.gz	FMNDFJUYPJOQJA-LBPRGKRZSA-N	2	1	387.318	2.661	20	10		GFCDMP
Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1O	ZINC000368050809	563862621	/nfs/dbraw/zinc/86/26/21/563862621.db2.gz	IAPWQLJWRNVXIR-INIZCTEOSA-N	2	1	396.373	2.923	20	10		GFCDMP
C[N@@H+](Cc1cc(Br)ccc1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000368050674	563862665	/nfs/dbraw/zinc/86/26/65/563862665.db2.gz	HBRDBHFSMPDRTE-QGZVFWFLSA-N	2	1	382.346	2.755	20	10		GFCDMP
Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1O	ZINC000779022614	656897778	/nfs/dbraw/zinc/89/77/78/656897778.db2.gz	VOGAMIAQCLDBSI-KGLIPLIRSA-N	2	1	398.345	2.701	20	10		GFCDMP
Cc1cc(Br)c(O)c(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1	ZINC000809734267	659937795	/nfs/dbraw/zinc/93/77/95/659937795.db2.gz	BZZIOLXQCPAJLG-UHFFFAOYSA-N	2	1	384.362	2.921	20	10		GFCDMP
Cc1cc(Br)c(O)c(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1	ZINC000809734267	659937797	/nfs/dbraw/zinc/93/77/97/659937797.db2.gz	BZZIOLXQCPAJLG-UHFFFAOYSA-N	2	1	384.362	2.921	20	10		GFCDMP
COc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1O	ZINC000844901922	661448752	/nfs/dbraw/zinc/44/87/52/661448752.db2.gz	JCIPATNTKKUZSD-VBNZEHGJSA-N	2	1	399.329	2.882	20	10		GFCDMP
Cc1nn(C)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1Br	ZINC000883283573	663052249	/nfs/dbraw/zinc/05/22/49/663052249.db2.gz	KKEZLVQPAQVEMX-UHFFFAOYSA-N	2	1	392.345	2.533	20	10		GFCDMP
COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O	ZINC000848519235	661660737	/nfs/dbraw/zinc/66/07/37/661660737.db2.gz	QSYMGTWKPFFVJP-GFCCVEGCSA-N	2	1	375.307	2.782	20	10		GFCDMP
COc1cc(Br)cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1O	ZINC000762481917	656043999	/nfs/dbraw/zinc/04/39/99/656043999.db2.gz	JGYZVZNEGRQQES-ZDUSSCGKSA-N	2	1	387.318	2.754	20	10		GFCDMP
COc1cc(Br)cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1O	ZINC000762481917	656044000	/nfs/dbraw/zinc/04/40/00/656044000.db2.gz	JGYZVZNEGRQQES-ZDUSSCGKSA-N	2	1	387.318	2.754	20	10		GFCDMP
Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1O	ZINC000368050810	563862733	/nfs/dbraw/zinc/86/27/33/563862733.db2.gz	IAPWQLJWRNVXIR-MRXNPFEDSA-N	2	1	396.373	2.923	20	10		GFCDMP
C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1	ZINC000838978301	661066747	/nfs/dbraw/zinc/06/67/47/661066747.db2.gz	ALRRXHZWTNHUFK-SFHVURJKSA-N	2	1	384.362	2.842	20	10		GFCDMP
COc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1O	ZINC000844901919	661448732	/nfs/dbraw/zinc/44/87/32/661448732.db2.gz	JCIPATNTKKUZSD-APHBMKBZSA-N	2	1	399.329	2.882	20	10		GFCDMP
Cc1cc(Br)cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1O	ZINC000877746804	662882803	/nfs/dbraw/zinc/88/28/03/662882803.db2.gz	XNJJBSKUGVPESK-UHFFFAOYSA-N	2	1	382.346	2.675	20	10		GFCDMP
C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1	ZINC000839011779	661067968	/nfs/dbraw/zinc/06/79/68/661067968.db2.gz	OVAGXSFLQGVCMA-SFHVURJKSA-N	2	1	382.346	2.596	20	10		GFCDMP
C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1	ZINC000839011779	661067970	/nfs/dbraw/zinc/06/79/70/661067970.db2.gz	OVAGXSFLQGVCMA-SFHVURJKSA-N	2	1	382.346	2.596	20	10		GFCDMP
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1O)C2	ZINC000922388075	664598149	/nfs/dbraw/zinc/59/81/49/664598149.db2.gz	NZLLJDSYHSTWPA-LMSBXDPUSA-N	2	1	383.330	2.724	20	10		GFCDMP
CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1O)C2	ZINC000922388075	664598152	/nfs/dbraw/zinc/59/81/52/664598152.db2.gz	NZLLJDSYHSTWPA-LMSBXDPUSA-N	2	1	383.330	2.724	20	10		GFCDMP
CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1c(O)cccc1Br)C2	ZINC000922391578	664598910	/nfs/dbraw/zinc/59/89/10/664598910.db2.gz	WSCOWQPVCSNWHJ-DDBAPUKQSA-N	2	1	383.330	2.724	20	10		GFCDMP
C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1	ZINC000839011777	661067876	/nfs/dbraw/zinc/06/78/76/661067876.db2.gz	OVAGXSFLQGVCMA-GOSISDBHSA-N	2	1	382.346	2.596	20	10		GFCDMP
C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1	ZINC000839011777	661067880	/nfs/dbraw/zinc/06/78/80/661067880.db2.gz	OVAGXSFLQGVCMA-GOSISDBHSA-N	2	1	382.346	2.596	20	10		GFCDMP
Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1O	ZINC000779022616	656897608	/nfs/dbraw/zinc/89/76/08/656897608.db2.gz	VOGAMIAQCLDBSI-ZIAGYGMSSA-N	2	1	398.345	2.701	20	10		GFCDMP
CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Br)cc(C)c3O)C2)CC1	ZINC000180068909	552212325	/nfs/dbraw/zinc/21/23/25/552212325.db2.gz	YQLFYZSZJSSHNO-QGZVFWFLSA-N	2	1	382.346	2.675	20	10		GFCDMP
CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Br)ccc3O)C2)CC1	ZINC000371338273	563273110	/nfs/dbraw/zinc/27/31/10/563273110.db2.gz	ZZZHCQFJXSZTOZ-KRWDZBQOSA-N	2	1	382.346	2.755	20	10		GFCDMP
CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1c(O)cccc1Br)C2	ZINC000922391579	664598843	/nfs/dbraw/zinc/59/88/43/664598843.db2.gz	WSCOWQPVCSNWHJ-NRSFXHEJSA-N	2	1	383.330	2.724	20	10		GFCDMP
COc1cc(Br)cc(C[NH2+]CCC[NH2+]Cc2cccnc2)c1O	ZINC000841042140	661229313	/nfs/dbraw/zinc/22/93/13/661229313.db2.gz	LSOVOVPURSSIJW-UHFFFAOYSA-N	2	1	380.286	2.828	20	10		GFCDMP
Cc1cc(Br)cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1O	ZINC000809734663	659937639	/nfs/dbraw/zinc/93/76/39/659937639.db2.gz	NDAHUEPJKAASIG-UHFFFAOYSA-N	2	1	384.362	2.921	20	10		GFCDMP
CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)ccc1O)C2	ZINC000922389372	664598537	/nfs/dbraw/zinc/59/85/37/664598537.db2.gz	UBOTWWDXUIQNEE-DDBAPUKQSA-N	2	1	383.330	2.724	20	10		GFCDMP
C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1	ZINC000838978299	661066805	/nfs/dbraw/zinc/06/68/05/661066805.db2.gz	ALRRXHZWTNHUFK-GOSISDBHSA-N	2	1	384.362	2.842	20	10		GFCDMP
CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1cc(Br)ccc1O	ZINC000743870986	655732286	/nfs/dbraw/zinc/73/22/86/655732286.db2.gz	KTVFDTBRNPXEBZ-UHFFFAOYSA-N	2	1	398.345	2.577	20	10		GFCDMP