smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218489501	257130418	/nfs/dbraw/zinc/13/04/18/257130418.db2.gz	BXWFWHOCVJPUJP-ZNMIVQPWSA-N	1	0	307.802	2.607	40	70		DFIBRO
[NH3+]C[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218577417	426567399	/nfs/dbraw/zinc/56/73/99/426567399.db2.gz	CMQWECWJHSUHFY-BZUAXINKSA-N	1	0	321.829	2.855	40	70		DFIBRO
CC(C)Oc1ccc(CCCNC(=O)[C@H]2CCC[N@H+](C)C2)cc1	ZINC000216913657	426560815	/nfs/dbraw/zinc/56/08/15/426560815.db2.gz	DJRYWDCOOKQUHF-KRWDZBQOSA-N	1	0	318.461	2.864	40	70		DFIBRO
C[N@@H+]1CCC[C@@H](C(=O)NCCCSCc2ccc(F)cc2)C1	ZINC000216917040	426561031	/nfs/dbraw/zinc/56/10/31/426561031.db2.gz	NWPVUKQWWGYDNW-OAHLLOKOSA-N	1	0	324.465	2.907	40	70		DFIBRO
CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)c1ccc(OC)c(OC)c1	ZINC000216919251	426562683	/nfs/dbraw/zinc/56/26/83/426562683.db2.gz	MPKIQORIMPCTTE-HUUCEWRRSA-N	1	0	320.433	2.613	40	70		DFIBRO
Cc1ccc([C@H]2[C@@H]([NH3+])[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000218446608	398345760	/nfs/dbraw/zinc/34/57/60/398345760.db2.gz	MMHQUHAESAWLPK-GVDBMIGSSA-N	1	0	301.411	2.570	40	70		DFIBRO
COc1ccc(C[NH2+][C@@]23C[C@H]4C[C@@H](C2)C[C@](O)(C4)C3)cc1OC	ZINC000217951235	201527729	/nfs/dbraw/zinc/52/77/29/201527729.db2.gz	ZNNXFAXFDPBFSV-DJDHSFSDSA-N	1	0	317.429	2.877	40	70		DFIBRO
CCOC(=O)c1cccc(NC(=O)CC2CC[NH+](C)CC2)c1	ZINC000216899836	257232713	/nfs/dbraw/zinc/23/27/13/257232713.db2.gz	RNYHOLOGODTLDR-UHFFFAOYSA-N	1	0	304.390	2.534	40	70		DFIBRO
CCOC(=O)c1cccc(NC(=O)CC2CC[NH+](C)CC2)c1C	ZINC000216899883	426562204	/nfs/dbraw/zinc/56/22/04/426562204.db2.gz	MOOVMMQSUVNZJQ-UHFFFAOYSA-N	1	0	318.417	2.842	40	70		DFIBRO
Cc1ccccc1O[C@H](C)C(=O)NCCC1CC[NH+](C)CC1	ZINC000217022857	426562528	/nfs/dbraw/zinc/56/25/28/426562528.db2.gz	ZLNQXMDSXMWNSN-OAHLLOKOSA-N	1	0	304.434	2.610	40	70		DFIBRO
Cc1ccc([C@H]2[C@H](C[NH3+])[C@@H]2S(=O)(=O)c2ccccc2)cc1	ZINC000218523949	398346142	/nfs/dbraw/zinc/34/61/42/398346142.db2.gz	KHDLRWBHQSIDCK-ULQDDVLXSA-N	1	0	301.411	2.510	40	70		DFIBRO
Cc1ccc(SCCCNC(=O)C2CC[NH+](C)CC2)cc1	ZINC000216923523	426562331	/nfs/dbraw/zinc/56/23/31/426562331.db2.gz	OOBXOTCHUVJGAO-UHFFFAOYSA-N	1	0	306.475	2.935	40	70		DFIBRO
CCOC(=O)c1cc(NC(=O)[C@@H]2CCC[N@H+](C)C2)ccc1Cl	ZINC000216915854	426562713	/nfs/dbraw/zinc/56/27/13/426562713.db2.gz	SKWLYXVWZYQGAH-LLVKDONJSA-N	1	0	324.808	2.797	40	70		DFIBRO
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@H]2C[NH3+])cc1	ZINC000218602148	398345724	/nfs/dbraw/zinc/34/57/24/398345724.db2.gz	BCRHMPAUVDFHRX-SQNIBIBYSA-N	1	0	315.438	2.764	40	70		DFIBRO
C[C@@H]([NH3+])c1nnc2ccc(-c3ccc(Br)cc3)nn21	ZINC000217555256	257131584	/nfs/dbraw/zinc/13/15/84/257131584.db2.gz	LSVKWMHUEHNYOQ-MRVPVSSYSA-N	1	0	318.178	2.574	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@H]([NH3+])[C@@H]2c2cccc(Cl)c2)cc1	ZINC000218486945	262486113	/nfs/dbraw/zinc/48/61/13/262486113.db2.gz	PNUSQSAOUXUMJN-XHSDSOJGSA-N	1	0	321.829	2.915	40	70		DFIBRO
[NH3+]C[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218574848	426567260	/nfs/dbraw/zinc/56/72/60/426567260.db2.gz	BVNUZPVOFBTCNC-BZUAXINKSA-N	1	0	321.829	2.855	40	70		DFIBRO
Cc1ccccc1CSCCNC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216907518	426562078	/nfs/dbraw/zinc/56/20/78/426562078.db2.gz	COKZAWMHEDAYIJ-OAHLLOKOSA-N	1	0	306.475	2.686	40	70		DFIBRO
C[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(N2CCCC2)cc1	ZINC000216924634	426562626	/nfs/dbraw/zinc/56/26/26/426562626.db2.gz	IGZSOZFVSUUKNG-HNNXBMFYSA-N	1	0	315.461	2.806	40	70		DFIBRO
Cc1cccc(O[C@@H](C)C(=O)NCCC2CC[NH+](C)CC2)c1C	ZINC000217025163	426563306	/nfs/dbraw/zinc/56/33/06/426563306.db2.gz	KDQMIZUARLPZQB-INIZCTEOSA-N	1	0	318.461	2.919	40	70		DFIBRO
CCc1ccc([C@@H]2[C@H](C[NH3+])[C@@H]2S(=O)(=O)c2ccccc2)cc1	ZINC000218602225	340496861	/nfs/dbraw/zinc/49/68/61/340496861.db2.gz	BCRHMPAUVDFHRX-KSZLIROESA-N	1	0	315.438	2.764	40	70		DFIBRO
[NH3+]C[C@@H]1[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218574725	426567249	/nfs/dbraw/zinc/56/72/49/426567249.db2.gz	BVNUZPVOFBTCNC-OWCLPIDISA-N	1	0	321.829	2.855	40	70		DFIBRO
CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@H]2[NH3+])cc1	ZINC000218519072	426568141	/nfs/dbraw/zinc/56/81/41/426568141.db2.gz	TWJKISVPJIDOMZ-IXDOHACOSA-N	1	0	301.411	2.516	40	70		DFIBRO
C[N@@H+]1CCC[C@H](C(=O)NCCSc2ccc(Cl)cc2)C1	ZINC000216905949	426561762	/nfs/dbraw/zinc/56/17/62/426561762.db2.gz	AMZAHPHEWXHCMW-LBPRGKRZSA-N	1	0	312.866	2.890	40	70		DFIBRO
Cc1ccc(SCCNC(=O)CC2CC[NH+](C)CC2)cc1	ZINC000216892689	426561780	/nfs/dbraw/zinc/56/17/80/426561780.db2.gz	VXHJJUFVWOEIGO-UHFFFAOYSA-N	1	0	306.475	2.935	40	70		DFIBRO
Cc1cc(N)c(NC(=O)c2ccccc2)cc1N1CC[NH+](C)CC1	ZINC000216867744	426561802	/nfs/dbraw/zinc/56/18/02/426561802.db2.gz	KWHJLBNGGLZKOC-UHFFFAOYSA-N	1	0	324.428	2.581	40	70		DFIBRO
Cc1ccccc1OC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1	ZINC000216904017	426561947	/nfs/dbraw/zinc/56/19/47/426561947.db2.gz	HFYARFHXOVZMIO-OAHLLOKOSA-N	1	0	304.434	2.610	40	70		DFIBRO
C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC1CC[NH+](C)CC1	ZINC000217023141	426562281	/nfs/dbraw/zinc/56/22/81/426562281.db2.gz	PVGIWPPPFNYPSY-CYBMUJFWSA-N	1	0	324.852	2.955	40	70		DFIBRO
C[N@@H+]1CCC[C@H](C(=O)NCCCSCc2ccccc2)C1	ZINC000216916612	426562560	/nfs/dbraw/zinc/56/25/60/426562560.db2.gz	OXXSEDRPGCKPBH-INIZCTEOSA-N	1	0	306.475	2.768	40	70		DFIBRO
Cc1cc(C)cc(CSCC(=O)NC2CC[NH+](C)CC2)c1	ZINC000216928601	426562804	/nfs/dbraw/zinc/56/28/04/426562804.db2.gz	XSWZOHXEJJKVOF-UHFFFAOYSA-N	1	0	306.475	2.747	40	70		DFIBRO
C[NH+]1CCC(C(=O)NCCCSCc2ccc(F)cc2)CC1	ZINC000216923848	426562930	/nfs/dbraw/zinc/56/29/30/426562930.db2.gz	ZYWKMMMWMAQJCP-UHFFFAOYSA-N	1	0	324.465	2.907	40	70		DFIBRO
COc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CCC[N@H+](C)C1	ZINC000216918889	274122818	/nfs/dbraw/zinc/12/28/18/274122818.db2.gz	HUWYGSIRTPRQGR-WMLDXEAASA-N	1	0	302.418	2.531	40	70		DFIBRO
CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1Cl	ZINC000216915952	201502884	/nfs/dbraw/zinc/50/28/84/201502884.db2.gz	OTQFOBRRQPUERM-NSHDSACASA-N	1	0	324.808	2.797	40	70		DFIBRO
CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCC1CC[NH+](C)CC1	ZINC000217026614	201509898	/nfs/dbraw/zinc/50/98/98/201509898.db2.gz	GGIMZEDRKRGZHS-QGZVFWFLSA-N	1	0	322.424	2.831	40	70		DFIBRO
Cc1ccc(-c2ccc3nnc([C@H]4CCC[NH2+]C4)n3n2)cc1C	ZINC000217560819	257131603	/nfs/dbraw/zinc/13/16/03/257131603.db2.gz	VBXHJHLOJRICEY-HNNXBMFYSA-N	1	0	307.401	2.875	40	70		DFIBRO
[NH3+]C[C@@H]1[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218060018	257131817	/nfs/dbraw/zinc/13/18/17/257131817.db2.gz	RLGBCRXMAXFZDA-BZUAXINKSA-N	1	0	321.829	2.855	40	70		DFIBRO
Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@H]2C[NH3+])cc1	ZINC000218523719	426567205	/nfs/dbraw/zinc/56/72/05/426567205.db2.gz	KHDLRWBHQSIDCK-ZACQAIPSSA-N	1	0	301.411	2.510	40	70		DFIBRO
Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@H]2[NH3+])cc1	ZINC000218548808	426568640	/nfs/dbraw/zinc/56/86/40/426568640.db2.gz	KEVQLNPQEAOFLR-OWCLPIDISA-N	1	0	321.829	2.915	40	70		DFIBRO
CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)c(Cl)c1	ZINC000216915989	426561411	/nfs/dbraw/zinc/56/14/11/426561411.db2.gz	DZWAZOWOABYEAD-GFCCVEGCSA-N	1	0	324.808	2.797	40	70		DFIBRO
C[NH+]1CCC(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000216897807	426562534	/nfs/dbraw/zinc/56/25/34/426562534.db2.gz	VJEBJTQIJREMHR-UHFFFAOYSA-N	1	0	311.769	2.919	40	70		DFIBRO
CC(C)Oc1cccc(CNC(=O)CC2CC[NH+](C)CC2)c1	ZINC000216898252	426562617	/nfs/dbraw/zinc/56/26/17/426562617.db2.gz	AWMUZRACLJSLOP-UHFFFAOYSA-N	1	0	304.434	2.822	40	70		DFIBRO
[NH3+][C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218489735	398346262	/nfs/dbraw/zinc/34/62/62/398346262.db2.gz	BXWFWHOCVJPUJP-ILXRZTDVSA-N	1	0	307.802	2.607	40	70		DFIBRO
C[N@@H+]1CCC[C@H](C(=O)NCCCSCc2ccc(F)cc2)C1	ZINC000216917062	201504396	/nfs/dbraw/zinc/50/43/96/201504396.db2.gz	NWPVUKQWWGYDNW-HNNXBMFYSA-N	1	0	324.465	2.907	40	70		DFIBRO
[NH3+][C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218489666	257131010	/nfs/dbraw/zinc/13/10/10/257131010.db2.gz	BXWFWHOCVJPUJP-KFWWJZLASA-N	1	0	307.802	2.607	40	70		DFIBRO
C[C@H]([NH3+])c1nnc2ccc(-c3ccc(Br)cc3)nn21	ZINC000217555338	257131316	/nfs/dbraw/zinc/13/13/16/257131316.db2.gz	LSVKWMHUEHNYOQ-QMMMGPOBSA-N	1	0	318.178	2.574	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@H]2C[NH3+])cc1	ZINC000218049663	426565804	/nfs/dbraw/zinc/56/58/04/426565804.db2.gz	XDKJNKPOHFAFHI-IKGGRYGDSA-N	1	0	301.411	2.510	40	70		DFIBRO
Cc1ccc(CSCCNC(=O)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000216906036	426561450	/nfs/dbraw/zinc/56/14/50/426561450.db2.gz	PLOJVBDBYTZDOR-INIZCTEOSA-N	1	0	306.475	2.686	40	70		DFIBRO
CC(C)Oc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1	ZINC000217013248	426562303	/nfs/dbraw/zinc/56/23/03/426562303.db2.gz	IDOBAGBKKAOKJD-UHFFFAOYSA-N	1	0	304.434	2.936	40	70		DFIBRO
CCc1ccc([C@H]2[C@H](C[NH3+])[C@@H]2S(=O)(=O)c2ccccc2)cc1	ZINC000218602297	398346078	/nfs/dbraw/zinc/34/60/78/398346078.db2.gz	BCRHMPAUVDFHRX-BZSNNMDCSA-N	1	0	315.438	2.764	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@H]2[C@@H]([NH3+])[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000218491228	398345792	/nfs/dbraw/zinc/34/57/92/398345792.db2.gz	ZSHPTAWLFYRDRW-HRCADAONSA-N	1	0	321.829	2.915	40	70		DFIBRO
C[NH+]1CCC(CC(=O)NCCCSCc2ccco2)CC1	ZINC000216903132	426561126	/nfs/dbraw/zinc/56/11/26/426561126.db2.gz	AJWPHKXNFPEBNT-UHFFFAOYSA-N	1	0	310.463	2.751	40	70		DFIBRO
COC(=O)c1cc(NC(=O)CC2CC[NH+](C)CC2)ccc1Cl	ZINC000216895794	426562320	/nfs/dbraw/zinc/56/23/20/426562320.db2.gz	PSPBVFRKPOMZFI-UHFFFAOYSA-N	1	0	324.808	2.797	40	70		DFIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccco3)cc2)CC1	ZINC000216931241	426562823	/nfs/dbraw/zinc/56/28/23/426562823.db2.gz	XUOJSMXFIDRNLZ-UHFFFAOYSA-N	1	0	314.385	2.683	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C[NH3+])[C@@H]2c2ccc(F)cc2)cc1	ZINC000218628251	398346179	/nfs/dbraw/zinc/34/61/79/398346179.db2.gz	KJTHRZUGMDHPDK-ULQDDVLXSA-N	1	0	319.401	2.649	40	70		DFIBRO
Cc1ccc(O[C@@H](C)C(=O)NCCC2CC[NH+](C)CC2)cc1C	ZINC000217032314	201510575	/nfs/dbraw/zinc/51/05/75/201510575.db2.gz	UTRRJZAODPRNOK-INIZCTEOSA-N	1	0	318.461	2.919	40	70		DFIBRO
COc1ccc(-c2ccc3nnc([C@@H]4CCCC[NH2+]4)n3n2)cc1	ZINC000217562568	257131719	/nfs/dbraw/zinc/13/17/19/257131719.db2.gz	NNLNMZJVCQLFRF-HNNXBMFYSA-N	1	0	309.373	2.615	40	70		DFIBRO
CC[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1	ZINC000216924899	426561002	/nfs/dbraw/zinc/56/10/02/426561002.db2.gz	SDNIODRLMLIYMF-HNNXBMFYSA-N	1	0	320.433	2.613	40	70		DFIBRO
Cc1cccc(CSCCNC(=O)[C@@H]2CCC[N@@H+](C)C2)c1	ZINC000216906973	426561672	/nfs/dbraw/zinc/56/16/72/426561672.db2.gz	OTKSIZGXBYQVCL-MRXNPFEDSA-N	1	0	306.475	2.686	40	70		DFIBRO
Cc1ccc(CSCCNC(=O)C2CC[NH+](C)CC2)cc1	ZINC000216919607	426562044	/nfs/dbraw/zinc/56/20/44/426562044.db2.gz	KOVDBJOBOIFILU-UHFFFAOYSA-N	1	0	306.475	2.686	40	70		DFIBRO
CCOC(=O)c1ccc(NC(=O)C2CC[NH+](C)CC2)cc1Cl	ZINC000216923297	426562871	/nfs/dbraw/zinc/56/28/71/426562871.db2.gz	OSQNFBRLDCCLKL-UHFFFAOYSA-N	1	0	324.808	2.797	40	70		DFIBRO
Cc1cc(C)cc(O[C@@H](C)C(=O)NCCC2CC[NH+](C)CC2)c1	ZINC000217033275	201509009	/nfs/dbraw/zinc/50/90/09/201509009.db2.gz	HVELPWOCVPZCJH-INIZCTEOSA-N	1	0	318.461	2.919	40	70		DFIBRO
Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@H]2[NH3+])cc1	ZINC000218446694	257130576	/nfs/dbraw/zinc/13/05/76/257130576.db2.gz	MMHQUHAESAWLPK-IXDOHACOSA-N	1	0	301.411	2.570	40	70		DFIBRO
Cc1ccc([C@@H]2[C@H](C[NH3+])[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000218524917	426567616	/nfs/dbraw/zinc/56/76/16/426567616.db2.gz	MGLAGQSVAHHARW-KSZLIROESA-N	1	0	315.438	2.818	40	70		DFIBRO
CC[C@H](NC(=O)[C@H]1CCC[N@H+](C)C1)c1ccc(OC)c(OC)c1	ZINC000216919321	426561110	/nfs/dbraw/zinc/56/11/10/426561110.db2.gz	MPKIQORIMPCTTE-GJZGRUSLSA-N	1	0	320.433	2.613	40	70		DFIBRO
CCOC(=O)c1ccc(C)c(NC(=O)CC2CC[NH+](C)CC2)c1	ZINC000216899937	426562372	/nfs/dbraw/zinc/56/23/72/426562372.db2.gz	CZOMLIAZWSKZBL-UHFFFAOYSA-N	1	0	318.417	2.842	40	70		DFIBRO
CC[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(OC)cc1	ZINC000216902018	426562840	/nfs/dbraw/zinc/56/28/40/426562840.db2.gz	YWEWXEIJINUCOZ-KRWDZBQOSA-N	1	0	304.434	2.994	40	70		DFIBRO
COc1ccc2c(c1)CCC[C@@H]2NC(=O)CC1CC[NH+](C)CC1	ZINC000216905087	426562861	/nfs/dbraw/zinc/56/28/61/426562861.db2.gz	XJBORTCWVVFMHG-SFHVURJKSA-N	1	0	316.445	2.921	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(F)cc3)[C@H]2C[NH3+])cc1	ZINC000218628333	340497049	/nfs/dbraw/zinc/49/70/49/340497049.db2.gz	KJTHRZUGMDHPDK-IXDOHACOSA-N	1	0	319.401	2.649	40	70		DFIBRO
[NH3+]C[C@H]1[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218574798	398345700	/nfs/dbraw/zinc/34/57/00/398345700.db2.gz	BVNUZPVOFBTCNC-HRCADAONSA-N	1	0	321.829	2.855	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@H]2[C@H]([NH3+])[C@@H]2c2cccc(Cl)c2)cc1	ZINC000218487009	398345887	/nfs/dbraw/zinc/34/58/87/398345887.db2.gz	PNUSQSAOUXUMJN-ARFHVFGLSA-N	1	0	321.829	2.915	40	70		DFIBRO
Cc1nc(Nc2ccc(Cl)cc2)cc(N2CC[NH2+]CC2)n1	ZINC000217678360	542878227	/nfs/dbraw/zinc/87/82/27/542878227.db2.gz	AFAZWWOQHOKBBY-UHFFFAOYSA-N	1	0	303.797	2.592	40	70		DFIBRO
CC(C)Oc1ccc(CCCNC(=O)[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000216913635	426561179	/nfs/dbraw/zinc/56/11/79/426561179.db2.gz	DJRYWDCOOKQUHF-QGZVFWFLSA-N	1	0	318.461	2.864	40	70		DFIBRO
COc1ccc2c(c1)CCC[C@H]2NC(=O)CC1CC[NH+](C)CC1	ZINC000216905120	426561582	/nfs/dbraw/zinc/56/15/82/426561582.db2.gz	XJBORTCWVVFMHG-GOSISDBHSA-N	1	0	316.445	2.921	40	70		DFIBRO
Cc1ccc(C)c(O[C@H](C)C(=O)NCCC2CC[NH+](C)CC2)c1	ZINC000217014950	426561722	/nfs/dbraw/zinc/56/17/22/426561722.db2.gz	WHXRAEMQVVTGTQ-MRXNPFEDSA-N	1	0	318.461	2.919	40	70		DFIBRO
Cc1ccccc1CSCCNC(=O)C1CC[NH+](C)CC1	ZINC000216920189	426561729	/nfs/dbraw/zinc/56/17/29/426561729.db2.gz	ONEIKXGLUVODEJ-UHFFFAOYSA-N	1	0	306.475	2.686	40	70		DFIBRO
Cc1ccc(CSCCNC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000216906002	426562225	/nfs/dbraw/zinc/56/22/25/426562225.db2.gz	PLOJVBDBYTZDOR-MRXNPFEDSA-N	1	0	306.475	2.686	40	70		DFIBRO
C[NH+]1CCC(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC1	ZINC000159861613	277025126	/nfs/dbraw/zinc/02/51/26/277025126.db2.gz	CSCWDTYQGQIQME-HNNXBMFYSA-N	1	0	302.418	2.747	40	70		DFIBRO
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@H]2[NH3+])cc1	ZINC000218548891	398346084	/nfs/dbraw/zinc/34/60/84/398346084.db2.gz	KEVQLNPQEAOFLR-HRCADAONSA-N	1	0	321.829	2.915	40	70		DFIBRO
Cc1ccc(-c2ccc3nnc([C@@H]4CCC[NH2+]C4)n3n2)cc1C	ZINC000217560732	257131302	/nfs/dbraw/zinc/13/13/02/257131302.db2.gz	VBXHJHLOJRICEY-OAHLLOKOSA-N	1	0	307.401	2.875	40	70		DFIBRO
[NH3+]CCc1nnc2ccc(-c3ccc(Cl)cc3Cl)nn21	ZINC000217566608	257131381	/nfs/dbraw/zinc/13/13/81/257131381.db2.gz	BVXIGFZLVHPUMJ-UHFFFAOYSA-N	1	0	308.172	2.599	40	70		DFIBRO
Clc1ccc(-c2ccc3nnc([C@@H]4CCC[NH2+]C4)n3n2)cc1	ZINC000217561137	257131697	/nfs/dbraw/zinc/13/16/97/257131697.db2.gz	JBLPNTDCKCLJIN-GFCCVEGCSA-N	1	0	313.792	2.912	40	70		DFIBRO
[NH3+][C@H]1[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218064119	426565810	/nfs/dbraw/zinc/56/58/10/426565810.db2.gz	WOMREOFYIYODBP-ILXRZTDVSA-N	1	0	307.802	2.607	40	70		DFIBRO
Cc1ccc([C@@H]2[C@H](C[NH3+])[C@@H]2S(=O)(=O)c2ccccc2)cc1	ZINC000218523886	426568522	/nfs/dbraw/zinc/56/85/22/426568522.db2.gz	KHDLRWBHQSIDCK-BBWFWOEESA-N	1	0	301.411	2.510	40	70		DFIBRO
CCCOc1ccccc1CCCNC(=O)[C@H]1CCC[N@H+](C)C1	ZINC000216917198	426561219	/nfs/dbraw/zinc/56/12/19/426561219.db2.gz	KVZVFZAIOBHSRL-KRWDZBQOSA-N	1	0	318.461	2.866	40	70		DFIBRO
CC(C)Oc1ccc(CCCNC(=O)C2CC[NH+](C)CC2)cc1	ZINC000216922522	426561292	/nfs/dbraw/zinc/56/12/92/426561292.db2.gz	YEHUWCKOVGRWTB-UHFFFAOYSA-N	1	0	318.461	2.864	40	70		DFIBRO
COc1ccc([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1OC	ZINC000216901645	426561385	/nfs/dbraw/zinc/56/13/85/426561385.db2.gz	OHVRSIYXHDZSOO-CYBMUJFWSA-N	1	0	320.433	2.613	40	70		DFIBRO
CCCOc1ccccc1CCCNC(=O)[C@@H]1CCC[N@H+](C)C1	ZINC000216917174	426562912	/nfs/dbraw/zinc/56/29/12/426562912.db2.gz	KVZVFZAIOBHSRL-QGZVFWFLSA-N	1	0	318.461	2.866	40	70		DFIBRO
[NH3+]C[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218577357	398346105	/nfs/dbraw/zinc/34/61/05/398346105.db2.gz	CMQWECWJHSUHFY-HRCADAONSA-N	1	0	321.829	2.855	40	70		DFIBRO
[NH3+]C[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218577276	426567839	/nfs/dbraw/zinc/56/78/39/426567839.db2.gz	CMQWECWJHSUHFY-OWCLPIDISA-N	1	0	321.829	2.855	40	70		DFIBRO
C[N@@H+]1CCC[C@@H](C(=O)NCCCSCc2ccccc2)C1	ZINC000216916583	426560888	/nfs/dbraw/zinc/56/08/88/426560888.db2.gz	OXXSEDRPGCKPBH-MRXNPFEDSA-N	1	0	306.475	2.768	40	70		DFIBRO
C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(N2CCCC2)cc1	ZINC000216924609	426560936	/nfs/dbraw/zinc/56/09/36/426560936.db2.gz	IGZSOZFVSUUKNG-OAHLLOKOSA-N	1	0	315.461	2.806	40	70		DFIBRO
CCOc1ccccc1CCCNC(=O)CC1CC[NH+](C)CC1	ZINC000216899584	426561208	/nfs/dbraw/zinc/56/12/08/426561208.db2.gz	QRAHQGKHAYHRFP-UHFFFAOYSA-N	1	0	318.461	2.866	40	70		DFIBRO
[NH3+]C[C@H]1[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218060084	426564597	/nfs/dbraw/zinc/56/45/97/426564597.db2.gz	RLGBCRXMAXFZDA-ARFHVFGLSA-N	1	0	321.829	2.855	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C[NH3+])[C@@H]2c2ccc(F)cc2)cc1	ZINC000218628163	340497029	/nfs/dbraw/zinc/49/70/29/340497029.db2.gz	KJTHRZUGMDHPDK-YESZJQIVSA-N	1	0	319.401	2.649	40	70		DFIBRO
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@H]2[NH3+])cc1	ZINC000218520935	398345774	/nfs/dbraw/zinc/34/57/74/398345774.db2.gz	JFKFYIUGODNXAZ-OKZBNKHCSA-N	1	0	315.438	2.824	40	70		DFIBRO
COc1ccccc1Oc1ccc(CNC(=O)C(C)(C)[NH3+])cc1	ZINC000159535271	186125429	/nfs/dbraw/zinc/12/54/29/186125429.db2.gz	JVCCVKULUFDEEK-UHFFFAOYSA-N	1	0	314.385	2.841	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H]([NH3+])[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000218491150	257130382	/nfs/dbraw/zinc/13/03/82/257130382.db2.gz	ZSHPTAWLFYRDRW-JYJNAYRXSA-N	1	0	321.829	2.915	40	70		DFIBRO
Cc1ccccc1O[C@@H](C)C(=O)NCCC1CC[NH+](C)CC1	ZINC000217022815	426562038	/nfs/dbraw/zinc/56/20/38/426562038.db2.gz	ZLNQXMDSXMWNSN-HNNXBMFYSA-N	1	0	304.434	2.610	40	70		DFIBRO
Cc1ccc(O[C@@H](C)C(=O)NCCC2CC[NH+](C)CC2)cc1	ZINC000217012499	426562108	/nfs/dbraw/zinc/56/21/08/426562108.db2.gz	AJWMEURDZVKVRH-HNNXBMFYSA-N	1	0	304.434	2.610	40	70		DFIBRO
Cc1ccccc1OC[C@H](C)NC(=O)CC1CC[NH+](C)CC1	ZINC000216904048	426562310	/nfs/dbraw/zinc/56/23/10/426562310.db2.gz	HFYARFHXOVZMIO-HNNXBMFYSA-N	1	0	304.434	2.610	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@H]2[C@H]([NH3+])[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000218491383	398345689	/nfs/dbraw/zinc/34/56/89/398345689.db2.gz	ZSHPTAWLFYRDRW-ARFHVFGLSA-N	1	0	321.829	2.915	40	70		DFIBRO
C[C@H]([NH3+])c1nnc2ccc(-c3cccc(Br)c3)nn21	ZINC000217555530	257131607	/nfs/dbraw/zinc/13/16/07/257131607.db2.gz	QJGGLJUTMWNKKH-QMMMGPOBSA-N	1	0	318.178	2.574	40	70		DFIBRO
Clc1ccc(-c2ccc3nnc(C4CC[NH2+]CC4)n3n2)cc1	ZINC000217559351	257131655	/nfs/dbraw/zinc/13/16/55/257131655.db2.gz	VUIDTULSCNGVJC-UHFFFAOYSA-N	1	0	313.792	2.912	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C[NH3+])[C@@H]2c2ccccc2)cc1	ZINC000218049435	257131790	/nfs/dbraw/zinc/13/17/90/257131790.db2.gz	XDKJNKPOHFAFHI-YESZJQIVSA-N	1	0	301.411	2.510	40	70		DFIBRO
CCOC(=O)c1cc(NC(=O)[C@H]2CCC[N@H+](C)C2)ccc1Cl	ZINC000216915883	426560849	/nfs/dbraw/zinc/56/08/49/426560849.db2.gz	SKWLYXVWZYQGAH-NSHDSACASA-N	1	0	324.808	2.797	40	70		DFIBRO
C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cc2F)C1	ZINC000216909310	426561065	/nfs/dbraw/zinc/56/10/65/426561065.db2.gz	YYGDXVYPOPUCAN-VIFPVBQESA-N	1	0	315.186	2.869	40	70		DFIBRO
C[NH+]1CCC(C(=O)NCCCSCc2ccccc2)CC1	ZINC000216923614	426561325	/nfs/dbraw/zinc/56/13/25/426561325.db2.gz	CDGCKVMQOPTPRP-UHFFFAOYSA-N	1	0	306.475	2.768	40	70		DFIBRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cc2F)C1	ZINC000216909282	426562572	/nfs/dbraw/zinc/56/25/72/426562572.db2.gz	YYGDXVYPOPUCAN-SECBINFHSA-N	1	0	315.186	2.869	40	70		DFIBRO
CC[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(OC)cc1	ZINC000216901984	426562706	/nfs/dbraw/zinc/56/27/06/426562706.db2.gz	YWEWXEIJINUCOZ-QGZVFWFLSA-N	1	0	304.434	2.994	40	70		DFIBRO
COc1ccc([C@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1OC	ZINC000216901681	426562879	/nfs/dbraw/zinc/56/28/79/426562879.db2.gz	OHVRSIYXHDZSOO-ZDUSSCGKSA-N	1	0	320.433	2.613	40	70		DFIBRO
Cc1ccc(O[C@H](C)C(=O)NCCC2CC[NH+](C)CC2)cc1C	ZINC000217032352	426563263	/nfs/dbraw/zinc/56/32/63/426563263.db2.gz	UTRRJZAODPRNOK-MRXNPFEDSA-N	1	0	318.461	2.919	40	70		DFIBRO
[NH3+]C[C@@H]1[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218059862	257131678	/nfs/dbraw/zinc/13/16/78/257131678.db2.gz	RLGBCRXMAXFZDA-OWCLPIDISA-N	1	0	321.829	2.855	40	70		DFIBRO
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@H]2C[NH3+])cc1	ZINC000218524834	398345740	/nfs/dbraw/zinc/34/57/40/398345740.db2.gz	MGLAGQSVAHHARW-SQNIBIBYSA-N	1	0	315.438	2.818	40	70		DFIBRO
Cc1ccc(O[C@H](C)C(=O)NCCC2CC[NH+](C)CC2)c(C)c1	ZINC000217032846	201510475	/nfs/dbraw/zinc/51/04/75/201510475.db2.gz	CMHOEHMOSAXQKJ-MRXNPFEDSA-N	1	0	318.461	2.919	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H]([NH3+])[C@@H]2c2cccc(Cl)c2)cc1	ZINC000218486792	426567175	/nfs/dbraw/zinc/56/71/75/426567175.db2.gz	PNUSQSAOUXUMJN-JYJNAYRXSA-N	1	0	321.829	2.915	40	70		DFIBRO
CC[C@@H](NC(=O)[C@H]1CCC[N@H+](C)C1)c1ccc(OC)c(OC)c1	ZINC000216919296	426562012	/nfs/dbraw/zinc/56/20/12/426562012.db2.gz	MPKIQORIMPCTTE-LSDHHAIUSA-N	1	0	320.433	2.613	40	70		DFIBRO
CC[C@H](Oc1ccc(F)cc1)C(=O)NCCC1CC[NH+](C)CC1	ZINC000217026654	426563390	/nfs/dbraw/zinc/56/33/90/426563390.db2.gz	GGIMZEDRKRGZHS-KRWDZBQOSA-N	1	0	322.424	2.831	40	70		DFIBRO
CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1	ZINC000216782766	563711307	/nfs/dbraw/zinc/71/13/07/563711307.db2.gz	TVBPERNOHOVKEO-HNNXBMFYSA-N	1	0	318.417	2.924	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@H]2[C@@H]([NH3+])[C@@H]2c2cccc(Cl)c2)cc1	ZINC000218486866	398346066	/nfs/dbraw/zinc/34/60/66/398346066.db2.gz	PNUSQSAOUXUMJN-HRCADAONSA-N	1	0	321.829	2.915	40	70		DFIBRO
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@H]2C[NH3+])cc1	ZINC000218523800	398345652	/nfs/dbraw/zinc/34/56/52/398345652.db2.gz	KHDLRWBHQSIDCK-IKGGRYGDSA-N	1	0	301.411	2.510	40	70		DFIBRO
[NH3+]C[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218577486	398345715	/nfs/dbraw/zinc/34/57/15/398345715.db2.gz	CMQWECWJHSUHFY-ARFHVFGLSA-N	1	0	321.829	2.855	40	70		DFIBRO
C[N@@H+]1CCC[C@@H](C(=O)NCCSc2ccc(Cl)cc2)C1	ZINC000216905917	201501015	/nfs/dbraw/zinc/50/10/15/201501015.db2.gz	AMZAHPHEWXHCMW-GFCCVEGCSA-N	1	0	312.866	2.890	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@H]([NH3+])[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000218491307	257131073	/nfs/dbraw/zinc/13/10/73/257131073.db2.gz	ZSHPTAWLFYRDRW-XHSDSOJGSA-N	1	0	321.829	2.915	40	70		DFIBRO
Cc1ccccc1CSCCNC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216907547	426561746	/nfs/dbraw/zinc/56/17/46/426561746.db2.gz	COKZAWMHEDAYIJ-HNNXBMFYSA-N	1	0	306.475	2.686	40	70		DFIBRO
[NH3+][C@H]1[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218485196	398345924	/nfs/dbraw/zinc/34/59/24/398345924.db2.gz	XSPYTTKCFOPLHJ-KKUMJFAQSA-N	1	0	307.802	2.607	40	70		DFIBRO
Cc1ccc(O[C@@H](C)C(=O)NCCC2CC[NH+](C)CC2)c(C)c1	ZINC000217032805	201508678	/nfs/dbraw/zinc/50/86/78/201508678.db2.gz	CMHOEHMOSAXQKJ-INIZCTEOSA-N	1	0	318.461	2.919	40	70		DFIBRO
Clc1ccc(-c2ccc3nnc([C@H]4CCC[NH2+]C4)n3n2)cc1	ZINC000217561218	257131735	/nfs/dbraw/zinc/13/17/35/257131735.db2.gz	JBLPNTDCKCLJIN-LBPRGKRZSA-N	1	0	313.792	2.912	40	70		DFIBRO
Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@H]2C[NH3+])cc1	ZINC000218524741	426568400	/nfs/dbraw/zinc/56/84/00/426568400.db2.gz	MGLAGQSVAHHARW-KURKYZTESA-N	1	0	315.438	2.818	40	70		DFIBRO
COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCC[N@H+](C)C1	ZINC000216918814	426561613	/nfs/dbraw/zinc/56/16/13/426561613.db2.gz	HUWYGSIRTPRQGR-PBHICJAKSA-N	1	0	302.418	2.531	40	70		DFIBRO
CC(C)Oc1cccc(CCCNC(=O)C2CC[NH+](C)CC2)c1	ZINC000216922487	426561689	/nfs/dbraw/zinc/56/16/89/426561689.db2.gz	UPMKEYZWPAQSAV-UHFFFAOYSA-N	1	0	318.461	2.864	40	70		DFIBRO
Cc1cccc(CSCCNC(=O)C2CC[NH+](C)CC2)c1	ZINC000216920005	426562086	/nfs/dbraw/zinc/56/20/86/426562086.db2.gz	PHBSAFYJEZJCPW-UHFFFAOYSA-N	1	0	306.475	2.686	40	70		DFIBRO
CC(C)Oc1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1	ZINC000216901037	426562177	/nfs/dbraw/zinc/56/21/77/426562177.db2.gz	JKQOGXIGLMVMPU-UHFFFAOYSA-N	1	0	304.434	2.822	40	70		DFIBRO
C[NH+]1CCC(CC(=O)NCCSCc2ccccc2F)CC1	ZINC000216899429	426562609	/nfs/dbraw/zinc/56/26/09/426562609.db2.gz	HWXJFWCGKOQQOU-UHFFFAOYSA-N	1	0	324.465	2.907	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@H]2C[NH3+])cc1	ZINC000218628402	398345907	/nfs/dbraw/zinc/34/59/07/398345907.db2.gz	KJTHRZUGMDHPDK-IKGGRYGDSA-N	1	0	319.401	2.649	40	70		DFIBRO
Cc1ccc([C@@H]2[C@@H]([NH3+])[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000218548633	426568661	/nfs/dbraw/zinc/56/86/61/426568661.db2.gz	KEVQLNPQEAOFLR-BZUAXINKSA-N	1	0	321.829	2.915	40	70		DFIBRO
COc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CCC[N@H+](C)C1	ZINC000216918840	426562270	/nfs/dbraw/zinc/56/22/70/426562270.db2.gz	HUWYGSIRTPRQGR-RHSMWYFYSA-N	1	0	302.418	2.531	40	70		DFIBRO
CC(C)Oc1cccc(CCCNC(=O)[C@H]2CCC[N@H+](C)C2)c1	ZINC000216913591	426562295	/nfs/dbraw/zinc/56/22/95/426562295.db2.gz	AGSMUFONMIGPIJ-KRWDZBQOSA-N	1	0	318.461	2.864	40	70		DFIBRO
C[NH+]1CCC(CCNC(=O)COc2ccc(Cl)cc2)CC1	ZINC000216925127	426562521	/nfs/dbraw/zinc/56/25/21/426562521.db2.gz	AFGFZQHCPNTMET-UHFFFAOYSA-N	1	0	310.825	2.567	40	70		DFIBRO
CCCOc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1	ZINC000217012943	426562725	/nfs/dbraw/zinc/56/27/25/426562725.db2.gz	VMXMLDLSNZORFQ-UHFFFAOYSA-N	1	0	304.434	2.937	40	70		DFIBRO
COc1ccc(/C=C/C(=O)NCCC2CC[NH+](C)CC2)cc1	ZINC000216926908	426562850	/nfs/dbraw/zinc/56/28/50/426562850.db2.gz	UXVSKQCRJPOUOX-VMPITWQZSA-N	1	0	302.418	2.557	40	70		DFIBRO
CCc1ccc([C@H]2[C@@H]([NH3+])[C@@H]2S(=O)(=O)c2ccccc2)cc1	ZINC000218518997	398346233	/nfs/dbraw/zinc/34/62/33/398346233.db2.gz	TWJKISVPJIDOMZ-GVDBMIGSSA-N	1	0	301.411	2.516	40	70		DFIBRO
CCOc1ccc(CCCNC(=O)CC2CC[NH+](C)CC2)cc1	ZINC000216903705	426560922	/nfs/dbraw/zinc/56/09/22/426560922.db2.gz	ZVHGSJZGSAVHSM-UHFFFAOYSA-N	1	0	318.461	2.866	40	70		DFIBRO
C[C@H](Oc1cccc(Cl)c1)C(=O)NCCC1CC[NH+](C)CC1	ZINC000217023183	426561880	/nfs/dbraw/zinc/56/18/80/426561880.db2.gz	PVGIWPPPFNYPSY-ZDUSSCGKSA-N	1	0	324.852	2.955	40	70		DFIBRO
C[NH+]1CCC(CCNC(=O)CSCc2ccc(F)cc2)CC1	ZINC000217019237	426561997	/nfs/dbraw/zinc/56/19/97/426561997.db2.gz	LLJCNVNZWXMMGM-UHFFFAOYSA-N	1	0	324.465	2.907	40	70		DFIBRO
Cc1ccc([C@H]2[C@@H]([NH3+])[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000218548719	398345743	/nfs/dbraw/zinc/34/57/43/398345743.db2.gz	KEVQLNPQEAOFLR-ARFHVFGLSA-N	1	0	321.829	2.915	40	70		DFIBRO
C[NH+]1CCC(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC1	ZINC000159861746	282686087	/nfs/dbraw/zinc/68/60/87/282686087.db2.gz	CSCWDTYQGQIQME-OAHLLOKOSA-N	1	0	302.418	2.747	40	70		DFIBRO
Cc1cccc(O[C@H](C)C(=O)NCCC2CC[NH+](C)CC2)c1C	ZINC000217025199	201506691	/nfs/dbraw/zinc/50/66/91/201506691.db2.gz	KDQMIZUARLPZQB-MRXNPFEDSA-N	1	0	318.461	2.919	40	70		DFIBRO
[NH3+][C@@H]1[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218063882	257131706	/nfs/dbraw/zinc/13/17/06/257131706.db2.gz	WOMREOFYIYODBP-ZNMIVQPWSA-N	1	0	307.802	2.607	40	70		DFIBRO
[NH3+][C@H]1[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218063967	426565266	/nfs/dbraw/zinc/56/52/66/426565266.db2.gz	WOMREOFYIYODBP-KKUMJFAQSA-N	1	0	307.802	2.607	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C[NH3+])[C@@H]2c2ccccc2)cc1	ZINC000218049517	426565489	/nfs/dbraw/zinc/56/54/89/426565489.db2.gz	XDKJNKPOHFAFHI-ULQDDVLXSA-N	1	0	301.411	2.510	40	70		DFIBRO
C[NH+]1CCC(C(=O)NCCCSCc2ccccc2F)CC1	ZINC000216923823	426562150	/nfs/dbraw/zinc/56/21/50/426562150.db2.gz	NDQWHVSNWHJZOT-UHFFFAOYSA-N	1	0	324.465	2.907	40	70		DFIBRO
CC(C)Oc1cccc(CCCNC(=O)[C@@H]2CCC[N@H+](C)C2)c1	ZINC000216913571	426562161	/nfs/dbraw/zinc/56/21/61/426562161.db2.gz	AGSMUFONMIGPIJ-QGZVFWFLSA-N	1	0	318.461	2.864	40	70		DFIBRO
C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)C1	ZINC000159889459	277053116	/nfs/dbraw/zinc/05/31/16/277053116.db2.gz	ZFDSHOINQJETMO-UKRRQHHQSA-N	1	0	302.418	2.747	40	70		DFIBRO
CC[C@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)c1ccc(OC)c(OC)c1	ZINC000216919277	426562096	/nfs/dbraw/zinc/56/20/96/426562096.db2.gz	MPKIQORIMPCTTE-CABCVRRESA-N	1	0	320.433	2.613	40	70		DFIBRO
C[N@@H+]1CCC[C@@H](C(=O)NCCSCc2ccccc2F)C1	ZINC000216912635	426562667	/nfs/dbraw/zinc/56/26/67/426562667.db2.gz	DHCUMMRKLHILCA-CYBMUJFWSA-N	1	0	310.438	2.517	40	70		DFIBRO
C[NH+]1CCC(CC(=O)NCCSCc2ccccc2)CC1	ZINC000216892795	201500660	/nfs/dbraw/zinc/50/06/60/201500660.db2.gz	PEMIAKRGQXGUMO-UHFFFAOYSA-N	1	0	306.475	2.768	40	70		DFIBRO
Cc1ccc([C@@H]2[C@@H]([NH3+])[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000218446532	257131023	/nfs/dbraw/zinc/13/10/23/257131023.db2.gz	MMHQUHAESAWLPK-BRWVUGGUSA-N	1	0	301.411	2.570	40	70		DFIBRO
C[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)C1	ZINC000159889353	425970109	/nfs/dbraw/zinc/97/01/09/425970109.db2.gz	ZFDSHOINQJETMO-HIFRSBDPSA-N	1	0	302.418	2.747	40	70		DFIBRO
CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@H]2C[NH3+])cc1	ZINC000218602070	340496860	/nfs/dbraw/zinc/49/68/60/340496860.db2.gz	BCRHMPAUVDFHRX-KURKYZTESA-N	1	0	315.438	2.764	40	70		DFIBRO
CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000216782726	563711538	/nfs/dbraw/zinc/71/15/38/563711538.db2.gz	TVBPERNOHOVKEO-OAHLLOKOSA-N	1	0	318.417	2.924	40	70		DFIBRO
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@H]2[NH3+])cc1	ZINC000218519154	398345969	/nfs/dbraw/zinc/34/59/69/398345969.db2.gz	TWJKISVPJIDOMZ-YESZJQIVSA-N	1	0	301.411	2.516	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)[C@H]2C[NH3+])cc1	ZINC000218049596	257131556	/nfs/dbraw/zinc/13/15/56/257131556.db2.gz	XDKJNKPOHFAFHI-IXDOHACOSA-N	1	0	301.411	2.510	40	70		DFIBRO
C[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)C1	ZINC000159889714	425970911	/nfs/dbraw/zinc/97/09/11/425970911.db2.gz	ZFDSHOINQJETMO-DZGCQCFKSA-N	1	0	302.418	2.747	40	70		DFIBRO
CCc1ccc([C@@H]2[C@@H]([NH3+])[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000218520701	426568021	/nfs/dbraw/zinc/56/80/21/426568021.db2.gz	JFKFYIUGODNXAZ-KZNAEPCWSA-N	1	0	315.438	2.824	40	70		DFIBRO
CCCOc1ccccc1CCCNC(=O)C1CC[NH+](C)CC1	ZINC000216923920	426561399	/nfs/dbraw/zinc/56/13/99/426561399.db2.gz	GPCVHZDQRKVCKS-UHFFFAOYSA-N	1	0	318.461	2.866	40	70		DFIBRO
CC[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1	ZINC000216924874	426561700	/nfs/dbraw/zinc/56/17/00/426561700.db2.gz	SDNIODRLMLIYMF-OAHLLOKOSA-N	1	0	320.433	2.613	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@H]2C[NH3+])cc1	ZINC000218631103	398346030	/nfs/dbraw/zinc/34/60/30/398346030.db2.gz	PSUGTCKXGIBADH-IKGGRYGDSA-N	1	0	319.401	2.649	40	70		DFIBRO
Cc1ccc([C@H]2[C@H](C[NH3+])[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000218525006	398346125	/nfs/dbraw/zinc/34/61/25/398346125.db2.gz	MGLAGQSVAHHARW-BZSNNMDCSA-N	1	0	315.438	2.818	40	70		DFIBRO
C[NH+]1CCC(NC(=O)CSCc2ccccc2Cl)CC1	ZINC000216928771	201503191	/nfs/dbraw/zinc/50/31/91/201503191.db2.gz	VQOZDQMUBFEVFG-UHFFFAOYSA-N	1	0	312.866	2.784	40	70		DFIBRO
CCc1ccc([C@@H]2[C@@H]([NH3+])[C@@H]2S(=O)(=O)c2ccccc2)cc1	ZINC000218518912	262486199	/nfs/dbraw/zinc/48/61/99/262486199.db2.gz	TWJKISVPJIDOMZ-BRWVUGGUSA-N	1	0	301.411	2.516	40	70		DFIBRO
C[N@@H+]1CCC[C@H](C(=O)NCCSCc2ccccc2F)C1	ZINC000216912668	426561567	/nfs/dbraw/zinc/56/15/67/426561567.db2.gz	DHCUMMRKLHILCA-ZDUSSCGKSA-N	1	0	310.438	2.517	40	70		DFIBRO
CCOC(=O)c1cc(NC(=O)C2CC[NH+](C)CC2)ccc1Cl	ZINC000216923269	426562453	/nfs/dbraw/zinc/56/24/53/426562453.db2.gz	XRUYJGYZOAWPPN-UHFFFAOYSA-N	1	0	324.808	2.797	40	70		DFIBRO
COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCC[N@H+](C)C1	ZINC000216918861	426562472	/nfs/dbraw/zinc/56/24/72/426562472.db2.gz	HUWYGSIRTPRQGR-YOEHRIQHSA-N	1	0	302.418	2.531	40	70		DFIBRO
[NH3+][C@@H]1[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218064052	257131574	/nfs/dbraw/zinc/13/15/74/257131574.db2.gz	WOMREOFYIYODBP-KFWWJZLASA-N	1	0	307.802	2.607	40	70		DFIBRO
[NH3+]C[C@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218574919	398346113	/nfs/dbraw/zinc/34/61/13/398346113.db2.gz	BVNUZPVOFBTCNC-ARFHVFGLSA-N	1	0	321.829	2.855	40	70		DFIBRO
[NH3+][C@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218485347	398345914	/nfs/dbraw/zinc/34/59/14/398345914.db2.gz	XSPYTTKCFOPLHJ-ILXRZTDVSA-N	1	0	307.802	2.607	40	70		DFIBRO
C[C@@H]([NH3+])c1nnc2ccc(-c3cccc(Br)c3)nn21	ZINC000217555450	257131767	/nfs/dbraw/zinc/13/17/67/257131767.db2.gz	QJGGLJUTMWNKKH-MRVPVSSYSA-N	1	0	318.178	2.574	40	70		DFIBRO
CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@H]2[NH3+])cc1	ZINC000218520857	426568284	/nfs/dbraw/zinc/56/82/84/426568284.db2.gz	JFKFYIUGODNXAZ-FGTMMUONSA-N	1	0	315.438	2.824	40	70		DFIBRO
C=CCc1cc(C(=O)NCCC2CC[NH+](C)CC2)ccc1OC	ZINC000216945576	426560977	/nfs/dbraw/zinc/56/09/77/426560977.db2.gz	SUVDYZPLINNQER-UHFFFAOYSA-N	1	0	316.445	2.885	40	70		DFIBRO
Cc1cc(C)cc(OCC(=O)NCCC2CC[NH+](C)CC2)c1	ZINC000216946098	426561010	/nfs/dbraw/zinc/56/10/10/426561010.db2.gz	KTHGWVRFHSIXOP-UHFFFAOYSA-N	1	0	304.434	2.530	40	70		DFIBRO
Cc1ccc(C)c(O[C@@H](C)C(=O)NCCC2CC[NH+](C)CC2)c1	ZINC000217014907	426561485	/nfs/dbraw/zinc/56/14/85/426561485.db2.gz	WHXRAEMQVVTGTQ-INIZCTEOSA-N	1	0	318.461	2.919	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C[NH3+])[C@@H]2c2cccc(F)c2)cc1	ZINC000218630874	340497039	/nfs/dbraw/zinc/49/70/39/340497039.db2.gz	PSUGTCKXGIBADH-YESZJQIVSA-N	1	0	319.401	2.649	40	70		DFIBRO
[NH3+]C[C@H]1[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218059946	426565425	/nfs/dbraw/zinc/56/54/25/426565425.db2.gz	RLGBCRXMAXFZDA-HRCADAONSA-N	1	0	321.829	2.855	40	70		DFIBRO
Cc1cccc(CSCCNC(=O)[C@H]2CCC[N@@H+](C)C2)c1	ZINC000216907005	426561843	/nfs/dbraw/zinc/56/18/43/426561843.db2.gz	OTKSIZGXBYQVCL-INIZCTEOSA-N	1	0	306.475	2.686	40	70		DFIBRO
Cc1ccc(O[C@H](C)C(=O)NCCC2CC[NH+](C)CC2)cc1	ZINC000217012543	426562141	/nfs/dbraw/zinc/56/21/41/426562141.db2.gz	AJWMEURDZVKVRH-OAHLLOKOSA-N	1	0	304.434	2.610	40	70		DFIBRO
Cc1cc(C)c(C)c(OCC(=O)NCCC2CC[NH+](C)CC2)c1	ZINC000217012192	426562406	/nfs/dbraw/zinc/56/24/06/426562406.db2.gz	GMLURVFXQICSBK-UHFFFAOYSA-N	1	0	318.461	2.839	40	70		DFIBRO
CCc1ccc([C@H]2[C@@H]([NH3+])[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000218520770	398346115	/nfs/dbraw/zinc/34/61/15/398346115.db2.gz	JFKFYIUGODNXAZ-RCCFBDPRSA-N	1	0	315.438	2.824	40	70		DFIBRO
COc1ccc(-c2ccc3nnc([C@H]4CCCC[NH2+]4)n3n2)cc1	ZINC000217562638	257131622	/nfs/dbraw/zinc/13/16/22/257131622.db2.gz	NNLNMZJVCQLFRF-OAHLLOKOSA-N	1	0	309.373	2.615	40	70		DFIBRO
Cc1cc(C)cc(O[C@H](C)C(=O)NCCC2CC[NH+](C)CC2)c1	ZINC000217033312	426563367	/nfs/dbraw/zinc/56/33/67/426563367.db2.gz	HVELPWOCVPZCJH-MRXNPFEDSA-N	1	0	318.461	2.919	40	70		DFIBRO
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@H]2[NH3+])cc1	ZINC000218446780	398345948	/nfs/dbraw/zinc/34/59/48/398345948.db2.gz	MMHQUHAESAWLPK-YESZJQIVSA-N	1	0	301.411	2.570	40	70		DFIBRO
[NH3+][C@H]1[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218489574	398346191	/nfs/dbraw/zinc/34/61/91/398346191.db2.gz	BXWFWHOCVJPUJP-KKUMJFAQSA-N	1	0	307.802	2.607	40	70		DFIBRO
C[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)C1	ZINC000159889586	425970633	/nfs/dbraw/zinc/97/06/33/425970633.db2.gz	ZFDSHOINQJETMO-ZFWWWQNUSA-N	1	0	302.418	2.747	40	70		DFIBRO
CCc1ccccc1O[C@H](C)C(=O)NCCC1CC[NH+](C)CC1	ZINC000217023587	426561018	/nfs/dbraw/zinc/56/10/18/426561018.db2.gz	SYUAKFDGHKEAIR-OAHLLOKOSA-N	1	0	318.461	2.864	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C[NH3+])[C@@H]2c2cccc(F)c2)cc1	ZINC000218630958	398346207	/nfs/dbraw/zinc/34/62/07/398346207.db2.gz	PSUGTCKXGIBADH-ULQDDVLXSA-N	1	0	319.401	2.649	40	70		DFIBRO
[NH3+][C@@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218485274	426567846	/nfs/dbraw/zinc/56/78/46/426567846.db2.gz	XSPYTTKCFOPLHJ-KFWWJZLASA-N	1	0	307.802	2.607	40	70		DFIBRO
[NH3+][C@@H]1[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218485111	426568074	/nfs/dbraw/zinc/56/80/74/426568074.db2.gz	XSPYTTKCFOPLHJ-ZNMIVQPWSA-N	1	0	307.802	2.607	40	70		DFIBRO
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)[C@H]2C[NH3+])cc1	ZINC000218631026	426568485	/nfs/dbraw/zinc/56/84/85/426568485.db2.gz	PSUGTCKXGIBADH-IXDOHACOSA-N	1	0	319.401	2.649	40	70		DFIBRO
CCc1ccccc1O[C@@H](C)C(=O)NCCC1CC[NH+](C)CC1	ZINC000217023544	426561442	/nfs/dbraw/zinc/56/14/42/426561442.db2.gz	SYUAKFDGHKEAIR-HNNXBMFYSA-N	1	0	318.461	2.864	40	70		DFIBRO
CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)c(Cl)c1	ZINC000216916018	426562509	/nfs/dbraw/zinc/56/25/09/426562509.db2.gz	DZWAZOWOABYEAD-LBPRGKRZSA-N	1	0	324.808	2.797	40	70		DFIBRO
CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1Cl	ZINC000216915925	426562753	/nfs/dbraw/zinc/56/27/53/426562753.db2.gz	OTQFOBRRQPUERM-LLVKDONJSA-N	1	0	324.808	2.797	40	70		DFIBRO