smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)Oc1cc(Br)cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1	ZINC000159989441	551574227	/nfs/dbraw/zinc/57/42/27/551574227.db2.gz	VPBKJIBSJYKUEP-INIZCTEOSA-N	1	0	399.329	2.813	10	70		GFIERO
C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1	ZINC000160209832	551577419	/nfs/dbraw/zinc/57/74/19/551577419.db2.gz	SBYVZOHSFNMCQG-OAHLLOKOSA-N	1	0	392.301	2.862	10	70		GFIERO
CC(C)Oc1cc(Br)ccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160391771	551580013	/nfs/dbraw/zinc/58/00/13/551580013.db2.gz	ODKSJRVUZIJBMK-HNNXBMFYSA-N	1	0	399.329	2.813	10	70		GFIERO
O=C(CCCOc1ccccc1Br)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160169360	551576265	/nfs/dbraw/zinc/57/62/65/551576265.db2.gz	SPHJDOWPUTXNAY-OAHLLOKOSA-N	1	0	399.329	2.571	10	70		GFIERO
O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160226219	551577131	/nfs/dbraw/zinc/57/71/31/551577131.db2.gz	YQUIXGSINYKZBE-NSHDSACASA-N	1	0	395.714	2.989	10	70		GFIERO
CC(C)(C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Br)c1	ZINC000160537897	551582215	/nfs/dbraw/zinc/58/22/15/551582215.db2.gz	DMYNRPFJZCNCNW-MRXNPFEDSA-N	1	0	383.330	2.690	10	70		GFIERO
CC(C)Oc1cc(Br)cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1	ZINC000159989580	551574386	/nfs/dbraw/zinc/57/43/86/551574386.db2.gz	VPBKJIBSJYKUEP-MRXNPFEDSA-N	1	0	399.329	2.813	10	70		GFIERO
CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160515005	551581795	/nfs/dbraw/zinc/58/17/95/551581795.db2.gz	ITMDJJRMMINTAH-WMZOPIPTSA-N	1	0	397.357	2.981	10	70		GFIERO
Cc1ccc(Br)c(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1	ZINC000159869882	551572561	/nfs/dbraw/zinc/57/25/61/551572561.db2.gz	XLRFTOKOOYKILD-CQSZACIVSA-N	1	0	383.330	2.922	10	70		GFIERO
C[C@@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1	ZINC000160105140	551575400	/nfs/dbraw/zinc/57/54/00/551575400.db2.gz	SRBSAXDVZIQFBO-YOEHRIQHSA-N	1	0	383.330	2.906	10	70		GFIERO
C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21	ZINC000160264058	551578161	/nfs/dbraw/zinc/57/81/61/551578161.db2.gz	IAMYHCVKQVWSKJ-WCQYABFASA-N	1	0	390.281	2.599	10	70		GFIERO
CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160515141	551581590	/nfs/dbraw/zinc/58/15/90/551581590.db2.gz	ITMDJJRMMINTAH-AEFFLSMTSA-N	1	0	397.357	2.981	10	70		GFIERO
O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2ccc(Br)cc2[nH]1	ZINC000160118788	551575745	/nfs/dbraw/zinc/57/57/45/551575745.db2.gz	ZVCTWBXZEQPVJV-CQSZACIVSA-N	1	0	380.286	2.507	10	70		GFIERO
O=C(NC[C@H](O)C[NH+]1CCCCC1)C1(c2ccc(Br)cc2)CCC1	ZINC000160117872	551575692	/nfs/dbraw/zinc/57/56/92/551575692.db2.gz	LSZZVVPRBHPQMD-KRWDZBQOSA-N	1	0	395.341	2.834	10	70		GFIERO
O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2ccc(Br)cc2[nH]1	ZINC000160118644	551575924	/nfs/dbraw/zinc/57/59/24/551575924.db2.gz	ZVCTWBXZEQPVJV-AWEZNQCLSA-N	1	0	380.286	2.507	10	70		GFIERO
CCC[C@H](C(=O)NCc1ccc(Br)cc1N1CCOCC1)[NH+](C)C	ZINC000160572768	551582883	/nfs/dbraw/zinc/58/28/83/551582883.db2.gz	UKWQDJSPRJWNQK-MRXNPFEDSA-N	1	0	398.345	2.632	10	70		GFIERO
O=C(CCCc1ccccc1Br)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160104852	551575284	/nfs/dbraw/zinc/57/52/84/551575284.db2.gz	MGXPFLVUBXXSHT-INIZCTEOSA-N	1	0	383.330	2.735	10	70		GFIERO
O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2c(cccc2Br)[nH]1	ZINC000160419104	551579923	/nfs/dbraw/zinc/57/99/23/551579923.db2.gz	JPYYLXFRRMTDHK-GFCCVEGCSA-N	1	0	380.286	2.507	10	70		GFIERO
C[NH+](C)[C@H]1CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1	ZINC000160209943	551577124	/nfs/dbraw/zinc/57/71/24/551577124.db2.gz	SBYVZOHSFNMCQG-HNNXBMFYSA-N	1	0	392.301	2.862	10	70		GFIERO
O=C(Cc1cc(Cl)ccc1Br)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160201044	551577205	/nfs/dbraw/zinc/57/72/05/551577205.db2.gz	DLQFPWUKBCICNP-AWEZNQCLSA-N	1	0	389.721	2.608	10	70		GFIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1	ZINC000160405474	551579688	/nfs/dbraw/zinc/57/96/88/551579688.db2.gz	SVEUMUJZVSDUPX-CQSZACIVSA-N	1	0	387.933	2.562	10	70		GFIERO
O=C(CCCOc1ccccc1Br)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160169207	551576206	/nfs/dbraw/zinc/57/62/06/551576206.db2.gz	SPHJDOWPUTXNAY-HNNXBMFYSA-N	1	0	399.329	2.571	10	70		GFIERO
CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000159936896	551573185	/nfs/dbraw/zinc/57/31/85/551573185.db2.gz	KMIFXBYTQQMCIG-NVXWUHKLSA-N	1	0	397.357	2.981	10	70		GFIERO
Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1	ZINC000161195063	551591099	/nfs/dbraw/zinc/59/10/99/551591099.db2.gz	PIHWAIDXVUELGP-GFCCVEGCSA-N	1	0	381.885	2.585	10	70		GFIERO
O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1ccc(Br)cc1	ZINC000160560936	551582774	/nfs/dbraw/zinc/58/27/74/551582774.db2.gz	JLAPBNFGLRUBOA-GVDBMIGSSA-N	1	0	381.314	2.516	10	70		GFIERO
C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccccc2Br)C[C@H]1C	ZINC000161214724	551591802	/nfs/dbraw/zinc/59/18/02/551591802.db2.gz	CNDCHIVEBLTYPP-HUUCEWRRSA-N	1	0	383.330	2.685	10	70		GFIERO
O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2c(cccc2Br)[nH]1	ZINC000160418993	551579650	/nfs/dbraw/zinc/57/96/50/551579650.db2.gz	JPYYLXFRRMTDHK-LBPRGKRZSA-N	1	0	380.286	2.507	10	70		GFIERO
C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160635014	551583503	/nfs/dbraw/zinc/58/35/03/551583503.db2.gz	RWSBLBDGDGOUGZ-DOMZBBRYSA-N	1	0	375.296	2.724	10	70		GFIERO
CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000159936762	551573078	/nfs/dbraw/zinc/57/30/78/551573078.db2.gz	KMIFXBYTQQMCIG-DOTOQJQBSA-N	1	0	397.357	2.981	10	70		GFIERO
O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1cccc(Br)c1	ZINC000160298050	551578720	/nfs/dbraw/zinc/57/87/20/551578720.db2.gz	ASZMNKOAWNSSEC-BBWFWOEESA-N	1	0	381.314	2.516	10	70		GFIERO
O=C(CCCOc1cccc(Br)c1)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160337933	551579474	/nfs/dbraw/zinc/57/94/74/551579474.db2.gz	ZAQUQITUGOPGPB-MRXNPFEDSA-N	1	0	399.329	2.571	10	70		GFIERO
C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1	ZINC000160470316	551581003	/nfs/dbraw/zinc/58/10/03/551581003.db2.gz	OPJGYDVJPOSMOZ-SECBINFHSA-N	1	0	385.686	2.566	10	70		GFIERO
CC(C)(C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc(Br)c1	ZINC000160537784	551582255	/nfs/dbraw/zinc/58/22/55/551582255.db2.gz	DMYNRPFJZCNCNW-INIZCTEOSA-N	1	0	383.330	2.690	10	70		GFIERO
O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1sccc1Br	ZINC000159367645	551564107	/nfs/dbraw/zinc/56/41/07/551564107.db2.gz	UFKJKZMJWNODMQ-AWEZNQCLSA-N	1	0	395.322	2.660	10	70		GFIERO
CC[NH+](CC)[C@@H](C)CNC(=O)c1ccnc(Cl)c1I	ZINC000159978541	551573755	/nfs/dbraw/zinc/57/37/55/551573755.db2.gz	QGJDZUSNZMBXIC-VIFPVBQESA-N	1	0	395.672	2.800	10	70		GFIERO
CC(C)Oc1cc(Br)ccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160391892	551579659	/nfs/dbraw/zinc/57/96/59/551579659.db2.gz	ODKSJRVUZIJBMK-OAHLLOKOSA-N	1	0	399.329	2.813	10	70		GFIERO
CC(C)(C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1	ZINC000160425257	551580566	/nfs/dbraw/zinc/58/05/66/551580566.db2.gz	PKCMOGYDPSUJMT-INIZCTEOSA-N	1	0	383.330	2.690	10	70		GFIERO
O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2c(cc(Br)cc2F)[nH]1	ZINC000159975440	551573459	/nfs/dbraw/zinc/57/34/59/551573459.db2.gz	PVTCQZXMQPSNTD-GFCCVEGCSA-N	1	0	398.276	2.646	10	70		GFIERO
CCC[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[NH+](C)C	ZINC000161217307	551591763	/nfs/dbraw/zinc/59/17/63/551591763.db2.gz	IFXUYGUAMLQAAG-OAHLLOKOSA-N	1	0	387.933	2.793	10	70		GFIERO
CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000159936509	551573290	/nfs/dbraw/zinc/57/32/90/551573290.db2.gz	KMIFXBYTQQMCIG-RDJZCZTQSA-N	1	0	397.357	2.981	10	70		GFIERO
C[C@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1	ZINC000160105275	551575414	/nfs/dbraw/zinc/57/54/14/551575414.db2.gz	SRBSAXDVZIQFBO-PBHICJAKSA-N	1	0	383.330	2.906	10	70		GFIERO
O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2cc(Br)ccc2o1	ZINC000160046055	551574836	/nfs/dbraw/zinc/57/48/36/551574836.db2.gz	RGDWUQGZKSSMIT-CQSZACIVSA-N	1	0	381.270	2.772	10	70		GFIERO
O=C(CCCc1ccccc1Br)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160104988	551575341	/nfs/dbraw/zinc/57/53/41/551575341.db2.gz	MGXPFLVUBXXSHT-MRXNPFEDSA-N	1	0	383.330	2.735	10	70		GFIERO
C[NH+](C)C[C@H]1CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)CCO1	ZINC000160472616	551581222	/nfs/dbraw/zinc/58/12/22/551581222.db2.gz	IEVBJIZUDZXGJB-NSHDSACASA-N	1	0	395.219	2.871	10	70		GFIERO
Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1	ZINC000161194949	551591289	/nfs/dbraw/zinc/59/12/89/551591289.db2.gz	PIHWAIDXVUELGP-LBPRGKRZSA-N	1	0	381.885	2.585	10	70		GFIERO
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160617858	551583485	/nfs/dbraw/zinc/58/34/85/551583485.db2.gz	JODIBIOKFQDXRV-QWHCGFSZSA-N	1	0	375.296	2.724	10	70		GFIERO
O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1(c2ccc(Br)cc2)CCC1	ZINC000160117950	551575697	/nfs/dbraw/zinc/57/56/97/551575697.db2.gz	LSZZVVPRBHPQMD-QGZVFWFLSA-N	1	0	395.341	2.834	10	70		GFIERO
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160499451	551581199	/nfs/dbraw/zinc/58/11/99/551581199.db2.gz	LESBQZCWOZGKOP-OCCSQVGLSA-N	1	0	375.296	2.724	10	70		GFIERO
C[NH+](C)[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1	ZINC000160470418	551581304	/nfs/dbraw/zinc/58/13/04/551581304.db2.gz	OPJGYDVJPOSMOZ-VIFPVBQESA-N	1	0	385.686	2.566	10	70		GFIERO
CCC[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[NH+](C)C	ZINC000161217182	551591629	/nfs/dbraw/zinc/59/16/29/551591629.db2.gz	IFXUYGUAMLQAAG-HNNXBMFYSA-N	1	0	387.933	2.793	10	70		GFIERO
O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2cc(Br)ccc2o1	ZINC000160045925	551574691	/nfs/dbraw/zinc/57/46/91/551574691.db2.gz	RGDWUQGZKSSMIT-AWEZNQCLSA-N	1	0	381.270	2.772	10	70		GFIERO
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160123805	551576026	/nfs/dbraw/zinc/57/60/26/551576026.db2.gz	FFCKPNDOMYXSGH-CHWSQXEVSA-N	1	0	375.296	2.724	10	70		GFIERO
C[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1	ZINC000160105550	551575318	/nfs/dbraw/zinc/57/53/18/551575318.db2.gz	SRBSAXDVZIQFBO-RHSMWYFYSA-N	1	0	383.330	2.906	10	70		GFIERO
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160123549	551575694	/nfs/dbraw/zinc/57/56/94/551575694.db2.gz	FFCKPNDOMYXSGH-OLZOCXBDSA-N	1	0	375.296	2.724	10	70		GFIERO
C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)CCO1	ZINC000160472513	551581139	/nfs/dbraw/zinc/58/11/39/551581139.db2.gz	IEVBJIZUDZXGJB-LLVKDONJSA-N	1	0	395.219	2.871	10	70		GFIERO
Cc1cc(CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1Br	ZINC000160160119	551576195	/nfs/dbraw/zinc/57/61/95/551576195.db2.gz	VLCZYOHHQFQIDJ-INIZCTEOSA-N	1	0	383.330	2.653	10	70		GFIERO
O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1cccc(Br)c1	ZINC000160297929	551578953	/nfs/dbraw/zinc/57/89/53/551578953.db2.gz	ASZMNKOAWNSSEC-ULQDDVLXSA-N	1	0	381.314	2.516	10	70		GFIERO
CC[C@H]1CN(C(=O)Cc2cc(OC)ccc2Br)CC[N@@H+]1CCOC	ZINC000160502809	551581831	/nfs/dbraw/zinc/58/18/31/551581831.db2.gz	JFTIVVKYOLVBRI-HNNXBMFYSA-N	1	0	399.329	2.569	10	70		GFIERO
CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21	ZINC000160066795	551574760	/nfs/dbraw/zinc/57/47/60/551574760.db2.gz	HCSXATIBXISKLU-NSHDSACASA-N	1	0	380.286	2.751	10	70		GFIERO
CC[C@@H]1CN(C(=O)Cc2cc(OC)ccc2Br)CC[N@@H+]1CCOC	ZINC000160502692	551581608	/nfs/dbraw/zinc/58/16/08/551581608.db2.gz	JFTIVVKYOLVBRI-OAHLLOKOSA-N	1	0	399.329	2.569	10	70		GFIERO
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160618005	551583301	/nfs/dbraw/zinc/58/33/01/551583301.db2.gz	JODIBIOKFQDXRV-CHWSQXEVSA-N	1	0	375.296	2.724	10	70		GFIERO
CCC[C@H](C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C)[NH+](C)C	ZINC000161232305	551591711	/nfs/dbraw/zinc/59/17/11/551591711.db2.gz	KSONTBKDZQTYSL-OAHLLOKOSA-N	1	0	384.318	2.885	10	70		GFIERO
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160123685	551575749	/nfs/dbraw/zinc/57/57/49/551575749.db2.gz	FFCKPNDOMYXSGH-QWHCGFSZSA-N	1	0	375.296	2.724	10	70		GFIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1	ZINC000160447950	551580395	/nfs/dbraw/zinc/58/03/95/551580395.db2.gz	MSTQWONSKOJBFD-MRXNPFEDSA-N	1	0	386.945	2.740	10	70		GFIERO
O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)c(Cl)c1	ZINC000160223782	551577393	/nfs/dbraw/zinc/57/73/93/551577393.db2.gz	VAGCLPBUQOMWKP-LBPRGKRZSA-N	1	0	375.694	2.679	10	70		GFIERO
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160123415	551575957	/nfs/dbraw/zinc/57/59/57/551575957.db2.gz	FFCKPNDOMYXSGH-STQMWFEESA-N	1	0	375.296	2.724	10	70		GFIERO
O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)c(Cl)c1	ZINC000160223916	551577322	/nfs/dbraw/zinc/57/73/22/551577322.db2.gz	VAGCLPBUQOMWKP-GFCCVEGCSA-N	1	0	375.694	2.679	10	70		GFIERO
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160499337	551580971	/nfs/dbraw/zinc/58/09/71/551580971.db2.gz	LESBQZCWOZGKOP-JSGCOSHPSA-N	1	0	375.296	2.724	10	70		GFIERO
CC[C@H](Cc1ccccc1Br)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000159936640	551573023	/nfs/dbraw/zinc/57/30/23/551573023.db2.gz	KMIFXBYTQQMCIG-WBVHZDCISA-N	1	0	397.357	2.981	10	70		GFIERO
CCC[C@@H](C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C)[NH+](C)C	ZINC000161232202	551591798	/nfs/dbraw/zinc/59/17/98/551591798.db2.gz	KSONTBKDZQTYSL-HNNXBMFYSA-N	1	0	384.318	2.885	10	70		GFIERO
C[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1	ZINC000160105417	551575436	/nfs/dbraw/zinc/57/54/36/551575436.db2.gz	SRBSAXDVZIQFBO-WMLDXEAASA-N	1	0	383.330	2.906	10	70		GFIERO
O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160226346	551577249	/nfs/dbraw/zinc/57/72/49/551577249.db2.gz	YQUIXGSINYKZBE-LLVKDONJSA-N	1	0	395.714	2.989	10	70		GFIERO
C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCc2ccccc2Br)C[C@@H]1C	ZINC000161214819	551591432	/nfs/dbraw/zinc/59/14/32/551591432.db2.gz	CNDCHIVEBLTYPP-LSDHHAIUSA-N	1	0	383.330	2.685	10	70		GFIERO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21	ZINC000160263932	551578383	/nfs/dbraw/zinc/57/83/83/551578383.db2.gz	IAMYHCVKQVWSKJ-DGCLKSJQSA-N	1	0	390.281	2.599	10	70		GFIERO
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160499565	551581092	/nfs/dbraw/zinc/58/10/92/551581092.db2.gz	LESBQZCWOZGKOP-GXTWGEPZSA-N	1	0	375.296	2.724	10	70		GFIERO
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160499697	551581147	/nfs/dbraw/zinc/58/11/47/551581147.db2.gz	LESBQZCWOZGKOP-TZMCWYRMSA-N	1	0	375.296	2.724	10	70		GFIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1sccc1Br	ZINC000160312556	551578893	/nfs/dbraw/zinc/57/88/93/551578893.db2.gz	HQNSCGVARVUNFN-LLVKDONJSA-N	1	0	381.361	2.909	10	70		GFIERO
O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1cccc(Br)c1	ZINC000160298293	551578534	/nfs/dbraw/zinc/57/85/34/551578534.db2.gz	ASZMNKOAWNSSEC-GVDBMIGSSA-N	1	0	381.314	2.516	10	70		GFIERO
O=C(NCCSCCOc1cccc(Br)c1)[C@H]1CCC[NH2+]C1	ZINC000159524386	551566518	/nfs/dbraw/zinc/56/65/18/551566518.db2.gz	UPOVNGCRRCKGSO-ZDUSSCGKSA-N	1	0	387.343	2.677	10	70		GFIERO
O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2cc(Br)ccc2[nH]1	ZINC000160045706	551574783	/nfs/dbraw/zinc/57/47/83/551574783.db2.gz	VOCVCANKVLSNNI-AWEZNQCLSA-N	1	0	380.286	2.507	10	70		GFIERO
O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1ccc(Br)cc1	ZINC000160560677	551582889	/nfs/dbraw/zinc/58/28/89/551582889.db2.gz	JLAPBNFGLRUBOA-BBWFWOEESA-N	1	0	381.314	2.516	10	70		GFIERO
C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160634907	551583194	/nfs/dbraw/zinc/58/31/94/551583194.db2.gz	RWSBLBDGDGOUGZ-WFASDCNBSA-N	1	0	375.296	2.724	10	70		GFIERO
O=C(Cc1cc(Cl)ccc1Br)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160201183	551577280	/nfs/dbraw/zinc/57/72/80/551577280.db2.gz	DLQFPWUKBCICNP-CQSZACIVSA-N	1	0	389.721	2.608	10	70		GFIERO
O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1ccc(Br)cc1	ZINC000160560559	551582145	/nfs/dbraw/zinc/58/21/45/551582145.db2.gz	JLAPBNFGLRUBOA-ULQDDVLXSA-N	1	0	381.314	2.516	10	70		GFIERO
Cc1ccc(Br)c(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1	ZINC000159870008	551572630	/nfs/dbraw/zinc/57/26/30/551572630.db2.gz	XLRFTOKOOYKILD-AWEZNQCLSA-N	1	0	383.330	2.922	10	70		GFIERO
CCC[C@@H](C(=O)NCc1ccc(Br)cc1N1CCOCC1)[NH+](C)C	ZINC000160572643	551582678	/nfs/dbraw/zinc/58/26/78/551582678.db2.gz	UKWQDJSPRJWNQK-INIZCTEOSA-N	1	0	398.345	2.632	10	70		GFIERO