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	661660714	/nfs/dbraw/zinc/66/07/14/661660714.db2.gz	QSYMGTWKPFFVJP-LBPRGKRZSA-N	2	0	375.307	2.782	20	10		GFCDRP
Cc1cc(Br)cc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1O	ZINC000877669555	662881361	/nfs/dbraw/zinc/88/13/61/662881361.db2.gz	OHZMEJYKBMPYTL-HZPDHXFCSA-N	2	0	384.362	2.634	20	10		GFCDRP
CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)ccc1O	ZINC000925857759	664676380	/nfs/dbraw/zinc/67/63/80/664676380.db2.gz	QTOMRPFNLMAYRT-ZFWWWQNUSA-N	2	0	397.313	2.881	20	10		GFCDRP
Cc1cc(Br)cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1O	ZINC000375021861	563388218	/nfs/dbraw/zinc/38/82/18/563388218.db2.gz	PWFKMBRUZUEKFM-QAPCUYQASA-N	2	0	396.373	2.921	20	10		GFCDRP
C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ccc1O	ZINC000817971609	660212784	/nfs/dbraw/zinc/21/27/84/660212784.db2.gz	FWBPTLFMARJNTB-HZMBPMFUSA-N	2	0	396.251	2.641	20	10		GFCDRP
CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](C[NH3+])Cc1cnn(C)c1C	ZINC000903897355	663810665	/nfs/dbraw/zinc/81/06/65/663810665.db2.gz	HTGMZTLHPRVFCB-CQSZACIVSA-N	2	0	395.345	2.836	20	10		GFCDRP
Cc1cc(Br)c(O)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1	ZINC000903980378	663814835	/nfs/dbraw/zinc/81/48/35/663814835.db2.gz	PSSOGCALJABGET-CALCHBBNSA-N	2	0	394.357	2.864	20	10		GFCDRP
C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ccc1O	ZINC000368328022	563868460	/nfs/dbraw/zinc/86/84/60/563868460.db2.gz	NQFNVQSGNCKRJD-HIFRSBDPSA-N	2	0	382.346	2.974	20	10		GFCDRP
Cc1cc(Br)cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1O	ZINC000779022613	656897815	/nfs/dbraw/zinc/89/78/15/656897815.db2.gz	VOGAMIAQCLDBSI-KBPBESRZSA-N	2	0	398.345	2.701	20	10		GFCDRP
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)ccc1O)C2	ZINC000922389377	664598418	/nfs/dbraw/zinc/59/84/18/664598418.db2.gz	UBOTWWDXUIQNEE-VDHUWJSZSA-N	2	0	383.330	2.724	20	10		GFCDRP
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)ccc1O)C2	ZINC000922389369	664598454	/nfs/dbraw/zinc/59/84/54/664598454.db2.gz	UBOTWWDXUIQNEE-BGTYHANMSA-N	2	0	383.330	2.724	20	10		GFCDRP
C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1O	ZINC000817971304	660212730	/nfs/dbraw/zinc/21/27/30/660212730.db2.gz	CDMBPRUKEWHATK-QMTHXVAHSA-N	2	0	396.251	2.641	20	10		GFCDRP
C[NH+]1CCC(N2CCC([NH2+]Cc3c(O)cccc3Br)CC2)CC1	ZINC000858117169	662099510	/nfs/dbraw/zinc/09/95/10/662099510.db2.gz	CJCHBFDRSGWOQU-UHFFFAOYSA-N	2	0	382.346	2.803	20	10		GFCDRP
Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1O	ZINC000187159079	552408288	/nfs/dbraw/zinc/40/82/88/552408288.db2.gz	FCXFIGCLHXWYGK-DZGCQCFKSA-N	2	0	384.362	2.997	20	10		GFCDRP
Cc1cc(Br)cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1O	ZINC000779022615	656897661	/nfs/dbraw/zinc/89/76/61/656897661.db2.gz	VOGAMIAQCLDBSI-UONOGXRCSA-N	2	0	398.345	2.701	20	10		GFCDRP
C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ccc1O	ZINC000817971613	660212774	/nfs/dbraw/zinc/21/27/74/660212774.db2.gz	FWBPTLFMARJNTB-QMTHXVAHSA-N	2	0	396.251	2.641	20	10		GFCDRP
C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(Br)cc2O)ccn1	ZINC000825442051	660427718	/nfs/dbraw/zinc/42/77/18/660427718.db2.gz	WBHSPIDKEORVCS-UHFFFAOYSA-N	2	0	380.286	2.780	20	10		GFCDRP
C[NH+]1CCC(O)(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CC1	ZINC000838961663	661064924	/nfs/dbraw/zinc/06/49/24/661064924.db2.gz	ALSLZLBXIIENPG-UHFFFAOYSA-N	2	0	396.373	2.986	20	10		GFCDRP
C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)ccc2O)CC1	ZINC000854232311	661919963	/nfs/dbraw/zinc/91/99/63/661919963.db2.gz	SDRSAARHKHVTMO-ZDUSSCGKSA-N	2	0	398.345	2.796	20	10		GFCDRP
CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](C[NH3+])Cc1cnn(C)c1C	ZINC000903897354	663810380	/nfs/dbraw/zinc/81/03/80/663810380.db2.gz	HTGMZTLHPRVFCB-AWEZNQCLSA-N	2	0	395.345	2.836	20	10		GFCDRP
Cc1cc(Br)cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1O	ZINC000375021865	563387950	/nfs/dbraw/zinc/38/79/50/563387950.db2.gz	PWFKMBRUZUEKFM-YJBOKZPZSA-N	2	0	396.373	2.921	20	10		GFCDRP
C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)ccc2O)CC1	ZINC000854232310	661919788	/nfs/dbraw/zinc/91/97/88/661919788.db2.gz	SDRSAARHKHVTMO-CYBMUJFWSA-N	2	0	398.345	2.796	20	10		GFCDRP
Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1O	ZINC000187159093	552408143	/nfs/dbraw/zinc/40/81/43/552408143.db2.gz	FCXFIGCLHXWYGK-ZFWWWQNUSA-N	2	0	384.362	2.997	20	10		GFCDRP
C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1O	ZINC000368330702	563868917	/nfs/dbraw/zinc/86/89/17/563868917.db2.gz	XRVTYYSJTYIBDJ-ZFWWWQNUSA-N	2	0	382.346	2.974	20	10		GFCDRP
C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ccc1O	ZINC000368328024	563868494	/nfs/dbraw/zinc/86/84/94/563868494.db2.gz	NQFNVQSGNCKRJD-ZFWWWQNUSA-N	2	0	382.346	2.974	20	10		GFCDRP
COc1cc(Br)cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1O	ZINC000530249343	564873264	/nfs/dbraw/zinc/87/32/64/564873264.db2.gz	WBRWJNBLZGCEJE-MRXNPFEDSA-N	2	0	399.329	2.754	20	10		GFCDRP
C[NH+]1CCN(c2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)CC1	ZINC000883283503	663052258	/nfs/dbraw/zinc/05/22/58/663052258.db2.gz	IAFFLBPDVFCKHE-UHFFFAOYSA-N	2	0	375.314	2.886	20	10		GFCDRP
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1c(O)cccc1Br)C2	ZINC000922391577	664598770	/nfs/dbraw/zinc/59/87/70/664598770.db2.gz	WSCOWQPVCSNWHJ-BGTYHANMSA-N	2	0	383.330	2.724	20	10		GFCDRP
CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)ccc1O	ZINC000925857753	664676378	/nfs/dbraw/zinc/67/63/78/664676378.db2.gz	QTOMRPFNLMAYRT-DZGCQCFKSA-N	2	0	397.313	2.881	20	10		GFCDRP
Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1O	ZINC000925848423	664675747	/nfs/dbraw/zinc/67/57/47/664675747.db2.gz	AMHQRPAUZCVZPF-TZMCWYRMSA-N	2	0	397.313	2.799	20	10		GFCDRP
Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1O	ZINC000925848420	664675757	/nfs/dbraw/zinc/67/57/57/664675757.db2.gz	AMHQRPAUZCVZPF-GXTWGEPZSA-N	2	0	397.313	2.799	20	10		GFCDRP
C[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000368050673	563862674	/nfs/dbraw/zinc/86/26/74/563862674.db2.gz	HBRDBHFSMPDRTE-KRWDZBQOSA-N	2	0	382.346	2.755	20	10		GFCDRP
C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(Br)cc3O)ccn2)CC1	ZINC000825121879	660411684	/nfs/dbraw/zinc/41/16/84/660411684.db2.gz	VKMZRMUCDAYVLS-UHFFFAOYSA-N	2	0	391.313	2.591	20	10		GFCDRP
CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Br)cc(C)c2O)CC1	ZINC000825275381	660417894	/nfs/dbraw/zinc/41/78/94/660417894.db2.gz	JNJDYKPMKYGAFR-UHFFFAOYSA-N	2	0	384.362	2.969	20	10		GFCDRP
C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(Br)cc(C)c2O)CC1	ZINC000853248731	661886116	/nfs/dbraw/zinc/88/61/16/661886116.db2.gz	XSMLOLZIFFJKOC-UHFFFAOYSA-N	2	0	398.345	2.543	20	10		GFCDRP
Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1O	ZINC000925848421	664675741	/nfs/dbraw/zinc/67/57/41/664675741.db2.gz	AMHQRPAUZCVZPF-JSGCOSHPSA-N	2	0	397.313	2.799	20	10		GFCDRP
C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ccc1O	ZINC000368328021	563868436	/nfs/dbraw/zinc/86/84/36/563868436.db2.gz	NQFNVQSGNCKRJD-DZGCQCFKSA-N	2	0	382.346	2.974	20	10		GFCDRP
C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(Br)cc3O)cn2)CC1	ZINC000825096944	660410427	/nfs/dbraw/zinc/41/04/27/660410427.db2.gz	NKABHCYIGJHZIE-UHFFFAOYSA-N	2	0	391.313	2.591	20	10		GFCDRP
Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1O	ZINC000187159062	552408176	/nfs/dbraw/zinc/40/81/76/552408176.db2.gz	FCXFIGCLHXWYGK-HIFRSBDPSA-N	2	0	384.362	2.997	20	10		GFCDRP
CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Br)ccc3O)C2)CC1	ZINC000371338274	563272910	/nfs/dbraw/zinc/27/29/10/563272910.db2.gz	ZZZHCQFJXSZTOZ-QGZVFWFLSA-N	2	0	382.346	2.755	20	10		GFCDRP
CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)ccc1O	ZINC000925857755	664676360	/nfs/dbraw/zinc/67/63/60/664676360.db2.gz	QTOMRPFNLMAYRT-HIFRSBDPSA-N	2	0	397.313	2.881	20	10		GFCDRP
CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)ccc1O	ZINC000925857757	664676385	/nfs/dbraw/zinc/67/63/85/664676385.db2.gz	QTOMRPFNLMAYRT-UKRRQHHQSA-N	2	0	397.313	2.881	20	10		GFCDRP
CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Br)ccc1O	ZINC000775501179	656644234	/nfs/dbraw/zinc/64/42/34/656644234.db2.gz	CHPCDLGWAKICHP-CZUORRHYSA-N	2	0	398.345	2.783	20	10		GFCDRP
C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1O	ZINC000368330699	563868890	/nfs/dbraw/zinc/86/88/90/563868890.db2.gz	XRVTYYSJTYIBDJ-DZGCQCFKSA-N	2	0	382.346	2.974	20	10		GFCDRP
C[N@H+](Cc1ccc(Br)cc1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000825916172	660445453	/nfs/dbraw/zinc/44/54/53/660445453.db2.gz	KBMPGZRPZZWNLP-KRWDZBQOSA-N	2	0	382.346	2.755	20	10		GFCDRP
CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1c(O)cccc1Br)C2	ZINC000922391580	664598797	/nfs/dbraw/zinc/59/87/97/664598797.db2.gz	WSCOWQPVCSNWHJ-VDHUWJSZSA-N	2	0	383.330	2.724	20	10		GFCDRP
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)ccc1O)C2	ZINC000922389374	664598507	/nfs/dbraw/zinc/59/85/07/664598507.db2.gz	UBOTWWDXUIQNEE-NRSFXHEJSA-N	2	0	383.330	2.724	20	10		GFCDRP
C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1O	ZINC000368330700	563868848	/nfs/dbraw/zinc/86/88/48/563868848.db2.gz	XRVTYYSJTYIBDJ-HIFRSBDPSA-N	2	0	382.346	2.974	20	10		GFCDRP
CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1	ZINC000843359552	661378599	/nfs/dbraw/zinc/37/85/99/661378599.db2.gz	WGSQRDZVNHXLDE-HKUYNNGSSA-N	2	0	393.325	2.908	20	10		GFCDRP
C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)cc2O)CC1	ZINC000854231606	661919842	/nfs/dbraw/zinc/91/98/42/661919842.db2.gz	MMYLGZNZVWPOMZ-ZDUSSCGKSA-N	2	0	398.345	2.796	20	10		GFCDRP
C[NH+]1CCN(c2cc[nH+]cc2NCc2c(O)cccc2Br)CC1	ZINC000858154008	662102213	/nfs/dbraw/zinc/10/22/13/662102213.db2.gz	WZKFMFAHJSEDEP-UHFFFAOYSA-N	2	0	377.286	2.914	20	10		GFCDRP
Cc1cc(Br)cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1O	ZINC000375021856	563387980	/nfs/dbraw/zinc/38/79/80/563387980.db2.gz	PWFKMBRUZUEKFM-MAUKXSAKSA-N	2	0	396.373	2.921	20	10		GFCDRP
C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(Br)cc3O)CC2)CC1	ZINC000825174117	660413134	/nfs/dbraw/zinc/41/31/34/660413134.db2.gz	XYHUMWGTRYFLNF-UHFFFAOYSA-N	2	0	382.346	2.803	20	10		GFCDRP
C[N@H+](Cc1ccc(Br)cc1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000825916173	660445486	/nfs/dbraw/zinc/44/54/86/660445486.db2.gz	KBMPGZRPZZWNLP-QGZVFWFLSA-N	2	0	382.346	2.755	20	10		GFCDRP
COc1cc(Br)cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1O	ZINC000530249342	564873352	/nfs/dbraw/zinc/87/33/52/564873352.db2.gz	WBRWJNBLZGCEJE-INIZCTEOSA-N	2	0	399.329	2.754	20	10		GFCDRP
COc1cc(Br)cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1O	ZINC000841103993	661233285	/nfs/dbraw/zinc/23/32/85/661233285.db2.gz	LQGDAWKGMDXGGM-HZPDHXFCSA-N	2	0	399.329	2.882	20	10		GFCDRP
C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(N2CCCCC2)c(Br)c1	ZINC000843053369	661365480	/nfs/dbraw/zinc/36/54/80/661365480.db2.gz	YECRPIRXWKOINE-UHFFFAOYSA-N	2	0	395.389	2.776	20	10		GFCDRP
Cc1cc(Br)cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1O	ZINC000289181603	563670740	/nfs/dbraw/zinc/67/07/40/563670740.db2.gz	ANUYZGNMWSCSIE-UHFFFAOYSA-N	2	0	396.373	2.923	20	10		GFCDRP
Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1O	ZINC000925848422	664675727	/nfs/dbraw/zinc/67/57/27/664675727.db2.gz	AMHQRPAUZCVZPF-OCCSQVGLSA-N	2	0	397.313	2.799	20	10		GFCDRP
CN1CC[NH+](CC2CC[NH+](Cc3cc(Br)ccc3O)CC2)CC1	ZINC000289490066	563675948	/nfs/dbraw/zinc/67/59/48/563675948.db2.gz	RNXHNLBNZYQNSQ-UHFFFAOYSA-N	2	0	382.346	2.614	20	10		GFCDRP
COc1cc(Br)cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1O	ZINC000841099860	661232723	/nfs/dbraw/zinc/23/27/23/661232723.db2.gz	PKWNPNHSZVCPIJ-QAPCUYQASA-N	2	0	399.329	2.882	20	10		GFCDRP
C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1O	ZINC000817971303	660212702	/nfs/dbraw/zinc/21/27/02/660212702.db2.gz	CDMBPRUKEWHATK-IINYFYTJSA-N	2	0	396.251	2.641	20	10		GFCDRP
Cc1cc(Br)cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1O	ZINC000816620721	660163128	/nfs/dbraw/zinc/16/31/28/660163128.db2.gz	IDWJCJSYKBCPNC-UHFFFAOYSA-N	2	0	398.345	2.545	20	10		GFCDRP
COc1cc(Br)cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1O	ZINC000134076109	551384817	/nfs/dbraw/zinc/38/48/17/551384817.db2.gz	KHTRTQDUCAFHNJ-UHFFFAOYSA-N	2	0	399.329	2.708	20	10		GFCDRP
Cc1cc(Br)cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1O	ZINC000375021855	563387881	/nfs/dbraw/zinc/38/78/81/563387881.db2.gz	PWFKMBRUZUEKFM-CRAIPNDOSA-N	2	0	396.373	2.921	20	10		GFCDRP
COc1cc(Br)cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1O	ZINC000841103990	661232952	/nfs/dbraw/zinc/23/29/52/661232952.db2.gz	LQGDAWKGMDXGGM-HOTGVXAUSA-N	2	0	399.329	2.882	20	10		GFCDRP
Oc1ccc(Br)cc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1	ZINC000903980235	663815014	/nfs/dbraw/zinc/81/50/14/663815014.db2.gz	KZXTUVDOAXDRDB-CALCHBBNSA-N	2	0	380.330	2.555	20	10		GFCDRP
C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(-c2nn[nH]n2)cc1F	ZINC000824617219	608136909	/nfs/dbraw/zinc/13/69/09/608136909.db2.gz	FMIAJUCNXAMFJN-OAHLLOKOSA-N	2	0	395.486	2.608	20	10		GFCDRP
Cc1[nH+]ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1Br	ZINC000792691124	658311406	/nfs/dbraw/zinc/31/14/06/658311406.db2.gz	JRHXSRNPTBTNMH-UHFFFAOYSA-N	2	0	375.314	2.938	20	10		GFCDRP
C[N@H+](CCn1cc(Br)cn1)Cc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000809792786	659939351	/nfs/dbraw/zinc/93/93/51/659939351.db2.gz	GYNQPDJUCSVBPQ-UHFFFAOYSA-N	2	0	392.345	2.529	20	10		GFCDRP
COc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1O	ZINC000844901921	661448740	/nfs/dbraw/zinc/44/87/40/661448740.db2.gz	JCIPATNTKKUZSD-RCBQFDQVSA-N	2	0	399.329	2.882	20	10		GFCDRP
CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Br)cc(C)c3O)C2)CC1	ZINC000180068923	552211911	/nfs/dbraw/zinc/21/19/11/552211911.db2.gz	YQLFYZSZJSSHNO-KRWDZBQOSA-N	2	0	382.346	2.675	20	10		GFCDRP
Cc1cc(Br)cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1O	ZINC000841087686	661231845	/nfs/dbraw/zinc/23/18/45/661231845.db2.gz	QIXOGFCSOMDTOV-UHFFFAOYSA-N	2	0	382.346	2.769	20	10		GFCDRP
C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(-c2nn[nH]n2)cc1F	ZINC000824617217	608136765	/nfs/dbraw/zinc/13/67/65/608136765.db2.gz	FMIAJUCNXAMFJN-HNNXBMFYSA-N	2	0	395.486	2.608	20	10		GFCDRP
COc1cc(Br)cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1O	ZINC000769383866	656273221	/nfs/dbraw/zinc/27/32/21/656273221.db2.gz	MWALKTZWKUFFHG-UHFFFAOYSA-N	2	0	387.318	2.706	20	10		GFCDRP
CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Br)ccc1O	ZINC000775501177	656644167	/nfs/dbraw/zinc/64/41/67/656644167.db2.gz	CHPCDLGWAKICHP-CJNGLKHVSA-N	2	0	398.345	2.783	20	10		GFCDRP
COc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1O	ZINC000844901920	661448680	/nfs/dbraw/zinc/44/86/80/661448680.db2.gz	JCIPATNTKKUZSD-MAZHCROVSA-N	2	0	399.329	2.882	20	10		GFCDRP
CN1CC[NH+](CC2CC[NH+](Cc3c(O)cccc3Br)CC2)CC1	ZINC000862366214	662283098	/nfs/dbraw/zinc/28/30/98/662283098.db2.gz	DVNJWSPWSWYABT-UHFFFAOYSA-N	2	0	382.346	2.614	20	10		GFCDRP
C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ccc1O	ZINC000817971611	660212765	/nfs/dbraw/zinc/21/27/65/660212765.db2.gz	FWBPTLFMARJNTB-IINYFYTJSA-N	2	0	396.251	2.641	20	10		GFCDRP
COc1cc(Br)cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1O	ZINC000841099859	661233032	/nfs/dbraw/zinc/23/30/32/661233032.db2.gz	PKWNPNHSZVCPIJ-MAUKXSAKSA-N	2	0	399.329	2.882	20	10		GFCDRP
Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1O	ZINC000368050809	563862620	/nfs/dbraw/zinc/86/26/20/563862620.db2.gz	IAPWQLJWRNVXIR-INIZCTEOSA-N	2	0	396.373	2.923	20	10		GFCDRP
C[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000368050674	563862663	/nfs/dbraw/zinc/86/26/63/563862663.db2.gz	HBRDBHFSMPDRTE-QGZVFWFLSA-N	2	0	382.346	2.755	20	10		GFCDRP
Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1O	ZINC000779022614	656897776	/nfs/dbraw/zinc/89/77/76/656897776.db2.gz	VOGAMIAQCLDBSI-KGLIPLIRSA-N	2	0	398.345	2.701	20	10		GFCDRP
C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cc2O)CC1	ZINC000854231605	661919914	/nfs/dbraw/zinc/91/99/14/661919914.db2.gz	MMYLGZNZVWPOMZ-CYBMUJFWSA-N	2	0	398.345	2.796	20	10		GFCDRP
CN1CC[NH+](CC2CC[NH+](Cc3ccc(Br)cc3O)CC2)CC1	ZINC000825903506	660445475	/nfs/dbraw/zinc/44/54/75/660445475.db2.gz	JNTBVBFIQBFOIB-UHFFFAOYSA-N	2	0	382.346	2.614	20	10		GFCDRP
COc1cc(Br)cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1O	ZINC000841103988	661232698	/nfs/dbraw/zinc/23/26/98/661232698.db2.gz	LQGDAWKGMDXGGM-CVEARBPZSA-N	2	0	399.329	2.882	20	10		GFCDRP
COc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1O	ZINC000844901922	661448751	/nfs/dbraw/zinc/44/87/51/661448751.db2.gz	JCIPATNTKKUZSD-VBNZEHGJSA-N	2	0	399.329	2.882	20	10		GFCDRP
Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1O	ZINC000187159046	552408530	/nfs/dbraw/zinc/40/85/30/552408530.db2.gz	FCXFIGCLHXWYGK-UKRRQHHQSA-N	2	0	384.362	2.997	20	10		GFCDRP
C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ccc1O	ZINC000368328023	563868371	/nfs/dbraw/zinc/86/83/71/563868371.db2.gz	NQFNVQSGNCKRJD-UKRRQHHQSA-N	2	0	382.346	2.974	20	10		GFCDRP
COc1cc(Br)cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1O	ZINC000841099861	661233140	/nfs/dbraw/zinc/23/31/40/661233140.db2.gz	PKWNPNHSZVCPIJ-YJBOKZPZSA-N	2	0	399.329	2.882	20	10		GFCDRP
COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O	ZINC000848519235	661660733	/nfs/dbraw/zinc/66/07/33/661660733.db2.gz	QSYMGTWKPFFVJP-GFCCVEGCSA-N	2	0	375.307	2.782	20	10		GFCDRP
C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1O	ZINC000817971302	660212782	/nfs/dbraw/zinc/21/27/82/660212782.db2.gz	CDMBPRUKEWHATK-HZMBPMFUSA-N	2	0	396.251	2.641	20	10		GFCDRP
COc1cc(Br)cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1O	ZINC000841103995	661232923	/nfs/dbraw/zinc/23/29/23/661232923.db2.gz	LQGDAWKGMDXGGM-JKSUJKDBSA-N	2	0	399.329	2.882	20	10		GFCDRP
C[NH+]1CCN(c2ccc(C[NH2+]CCCn3cc(Br)cn3)cc2)CC1	ZINC000808436859	659894107	/nfs/dbraw/zinc/89/41/07/659894107.db2.gz	SDIPPOTVFWWCTN-UHFFFAOYSA-N	2	0	392.345	2.577	20	10		GFCDRP
Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1O	ZINC000368050810	563862731	/nfs/dbraw/zinc/86/27/31/563862731.db2.gz	IAPWQLJWRNVXIR-MRXNPFEDSA-N	2	0	396.373	2.923	20	10		GFCDRP
COc1cc(Br)cc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1O	ZINC000850353653	661771649	/nfs/dbraw/zinc/77/16/49/661771649.db2.gz	JEDAYTSMZJARHG-ZDUSSCGKSA-N	2	0	388.350	2.525	20	10		GFCDRP
C[NH+]1CCN(c2cc[nH+]cc2NCc2ccc(Br)cc2O)CC1	ZINC000825390541	660424838	/nfs/dbraw/zinc/42/48/38/660424838.db2.gz	HTYOPKRYVKLTMP-UHFFFAOYSA-N	2	0	377.286	2.914	20	10		GFCDRP
Brc1cc(C[NH2+]CCCN2CC[NH2+]CC2)ccc1N1CCCCC1	ZINC000841028192	661229246	/nfs/dbraw/zinc/22/92/46/661229246.db2.gz	CRWXUWBZQZALSP-UHFFFAOYSA-N	2	0	395.389	2.824	20	10		GFCDRP
COc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1O	ZINC000844901919	661448729	/nfs/dbraw/zinc/44/87/29/661448729.db2.gz	JCIPATNTKKUZSD-APHBMKBZSA-N	2	0	399.329	2.882	20	10		GFCDRP
C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Br)ccc1O	ZINC000817971616	660212739	/nfs/dbraw/zinc/21/27/39/660212739.db2.gz	FWBPTLFMARJNTB-YGRLFVJLSA-N	2	0	396.251	2.641	20	10		GFCDRP
Cc1cc(Br)c(O)c(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1	ZINC000877669427	662881389	/nfs/dbraw/zinc/88/13/89/662881389.db2.gz	IYIOIHVXJWJRPY-HZPDHXFCSA-N	2	0	384.362	2.634	20	10		GFCDRP
C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(Br)cn3)cc2)CC1	ZINC000865810178	662444929	/nfs/dbraw/zinc/44/49/29/662444929.db2.gz	AFRSAWRXPJZLGV-UHFFFAOYSA-N	2	0	375.314	2.886	20	10		GFCDRP
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1c(O)cccc1Br)C2	ZINC000922391578	664598909	/nfs/dbraw/zinc/59/89/09/664598909.db2.gz	WSCOWQPVCSNWHJ-DDBAPUKQSA-N	2	0	383.330	2.724	20	10		GFCDRP
C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Br)cc1O	ZINC000817971305	660212768	/nfs/dbraw/zinc/21/27/68/660212768.db2.gz	CDMBPRUKEWHATK-YGRLFVJLSA-N	2	0	396.251	2.641	20	10		GFCDRP
Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1O	ZINC000779022616	656897605	/nfs/dbraw/zinc/89/76/05/656897605.db2.gz	VOGAMIAQCLDBSI-ZIAGYGMSSA-N	2	0	398.345	2.701	20	10		GFCDRP
CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Br)cc(C)c3O)C2)CC1	ZINC000180068909	552212322	/nfs/dbraw/zinc/21/23/22/552212322.db2.gz	YQLFYZSZJSSHNO-QGZVFWFLSA-N	2	0	382.346	2.675	20	10		GFCDRP
C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1O	ZINC000368330701	563868877	/nfs/dbraw/zinc/86/88/77/563868877.db2.gz	XRVTYYSJTYIBDJ-UKRRQHHQSA-N	2	0	382.346	2.974	20	10		GFCDRP
COc1cc(Br)cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1O	ZINC000841099858	661232662	/nfs/dbraw/zinc/23/26/62/661232662.db2.gz	PKWNPNHSZVCPIJ-CRAIPNDOSA-N	2	0	399.329	2.882	20	10		GFCDRP
CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Br)ccc3O)C2)CC1	ZINC000371338273	563273106	/nfs/dbraw/zinc/27/31/06/563273106.db2.gz	ZZZHCQFJXSZTOZ-KRWDZBQOSA-N	2	0	382.346	2.755	20	10		GFCDRP
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1c(O)cccc1Br)C2	ZINC000922391579	664598840	/nfs/dbraw/zinc/59/88/40/664598840.db2.gz	WSCOWQPVCSNWHJ-NRSFXHEJSA-N	2	0	383.330	2.724	20	10		GFCDRP
Cc1cc(Br)cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1O	ZINC000809734663	659937633	/nfs/dbraw/zinc/93/76/33/659937633.db2.gz	NDAHUEPJKAASIG-UHFFFAOYSA-N	2	0	384.362	2.921	20	10		GFCDRP
CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)ccc1O)C2	ZINC000922389372	664598536	/nfs/dbraw/zinc/59/85/36/664598536.db2.gz	UBOTWWDXUIQNEE-DDBAPUKQSA-N	2	0	383.330	2.724	20	10		GFCDRP
CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1cc(Br)ccc1O	ZINC000743870986	655732285	/nfs/dbraw/zinc/73/22/85/655732285.db2.gz	KTVFDTBRNPXEBZ-UHFFFAOYSA-N	2	0	398.345	2.577	20	10		GFCDRP
[NH3+]CC1(O)CC[NH+](Cc2ccc(N3CCCCC3)c(Br)c2)CC1	ZINC000841108220	661233474	/nfs/dbraw/zinc/23/34/74/661233474.db2.gz	QPYMFJIBZACDED-UHFFFAOYSA-N	2	0	382.346	2.725	20	10		GFCDRP