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)CN2CCCCC2)c1	ZINC000159989441	551574229	/nfs/dbraw/zinc/57/42/29/551574229.db2.gz	VPBKJIBSJYKUEP-INIZCTEOSA-N	0	3	399.329	2.813	10	70		GFIEHN
CN(C)[C@@H]1CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1	ZINC000160209832	551577421	/nfs/dbraw/zinc/57/74/21/551577421.db2.gz	SBYVZOHSFNMCQG-OAHLLOKOSA-N	0	3	392.301	2.862	10	70		GFIEHN
CC(C)Oc1cc(Br)ccc1C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160391771	551580017	/nfs/dbraw/zinc/58/00/17/551580017.db2.gz	ODKSJRVUZIJBMK-HNNXBMFYSA-N	0	3	399.329	2.813	10	70		GFIEHN
O=C(CCCOc1ccccc1Br)NC[C@@H](O)CN1CCCCC1	ZINC000160169360	551576268	/nfs/dbraw/zinc/57/62/68/551576268.db2.gz	SPHJDOWPUTXNAY-OAHLLOKOSA-N	0	3	399.329	2.571	10	70		GFIEHN
O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@H](O)CN1CCCCC1	ZINC000160226219	551577133	/nfs/dbraw/zinc/57/71/33/551577133.db2.gz	YQUIXGSINYKZBE-NSHDSACASA-N	0	3	395.714	2.989	10	70		GFIEHN
CC(C)(C(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(Br)c1	ZINC000160537897	551582220	/nfs/dbraw/zinc/58/22/20/551582220.db2.gz	DMYNRPFJZCNCNW-MRXNPFEDSA-N	0	3	383.330	2.690	10	70		GFIEHN
CC(C)Oc1cc(Br)cc(C(=O)NC[C@@H](O)CN2CCCCC2)c1	ZINC000159989580	551574387	/nfs/dbraw/zinc/57/43/87/551574387.db2.gz	VPBKJIBSJYKUEP-MRXNPFEDSA-N	0	3	399.329	2.813	10	70		GFIEHN
CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160515005	551581799	/nfs/dbraw/zinc/58/17/99/551581799.db2.gz	ITMDJJRMMINTAH-WMZOPIPTSA-N	0	3	397.357	2.981	10	70		GFIEHN
C[C@@H](CC(=O)NC[C@H](O)CN1CCCCC1)c1ccc(Br)cc1	ZINC000160105140	551575405	/nfs/dbraw/zinc/57/54/05/551575405.db2.gz	SRBSAXDVZIQFBO-YOEHRIQHSA-N	0	3	383.330	2.906	10	70		GFIEHN
CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160515141	551581595	/nfs/dbraw/zinc/58/15/95/551581595.db2.gz	ITMDJJRMMINTAH-AEFFLSMTSA-N	0	3	397.357	2.981	10	70		GFIEHN
O=C(NC[C@@H](O)CN1CCCCC1)c1cc2ccc(Br)cc2[nH]1	ZINC000160118788	551575747	/nfs/dbraw/zinc/57/57/47/551575747.db2.gz	ZVCTWBXZEQPVJV-CQSZACIVSA-N	0	3	380.286	2.507	10	70		GFIEHN
O=C(NC[C@H](O)CN1CCCCC1)C1(c2ccc(Br)cc2)CCC1	ZINC000160117872	551575693	/nfs/dbraw/zinc/57/56/93/551575693.db2.gz	LSZZVVPRBHPQMD-KRWDZBQOSA-N	0	3	395.341	2.834	10	70		GFIEHN
O=C(NC[C@H](O)CN1CCCCC1)c1cc2ccc(Br)cc2[nH]1	ZINC000160118644	551575927	/nfs/dbraw/zinc/57/59/27/551575927.db2.gz	ZVCTWBXZEQPVJV-AWEZNQCLSA-N	0	3	380.286	2.507	10	70		GFIEHN
CCC[C@H](C(=O)NCc1ccc(Br)cc1N1CCOCC1)N(C)C	ZINC000160572768	551582886	/nfs/dbraw/zinc/58/28/86/551582886.db2.gz	UKWQDJSPRJWNQK-MRXNPFEDSA-N	0	3	398.345	2.632	10	70		GFIEHN
O=C(CCCc1ccccc1Br)NC[C@H](O)CN1CCCCC1	ZINC000160104852	551575287	/nfs/dbraw/zinc/57/52/87/551575287.db2.gz	MGXPFLVUBXXSHT-INIZCTEOSA-N	0	3	383.330	2.735	10	70		GFIEHN
O=C(NC[C@@H](O)CN1CCCCC1)c1cc2c(cccc2Br)[nH]1	ZINC000160419104	551579926	/nfs/dbraw/zinc/57/99/26/551579926.db2.gz	JPYYLXFRRMTDHK-GFCCVEGCSA-N	0	3	380.286	2.507	10	70		GFIEHN
CN(C)[C@H]1CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1	ZINC000160209943	551577126	/nfs/dbraw/zinc/57/71/26/551577126.db2.gz	SBYVZOHSFNMCQG-HNNXBMFYSA-N	0	3	392.301	2.862	10	70		GFIEHN
O=C(Cc1cc(Cl)ccc1Br)NC[C@H](O)CN1CCCCC1	ZINC000160201044	551577207	/nfs/dbraw/zinc/57/72/07/551577207.db2.gz	DLQFPWUKBCICNP-AWEZNQCLSA-N	0	3	389.721	2.608	10	70		GFIEHN
O=C(CCCOc1ccccc1Br)NC[C@H](O)CN1CCCCC1	ZINC000160169207	551576207	/nfs/dbraw/zinc/57/62/07/551576207.db2.gz	SPHJDOWPUTXNAY-HNNXBMFYSA-N	0	3	399.329	2.571	10	70		GFIEHN
CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@H](O)CN1CCCCC1	ZINC000159936896	551573189	/nfs/dbraw/zinc/57/31/89/551573189.db2.gz	KMIFXBYTQQMCIG-NVXWUHKLSA-N	0	3	397.357	2.981	10	70		GFIEHN
O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1C[C@@H]1c1ccc(Br)cc1	ZINC000160560936	551582780	/nfs/dbraw/zinc/58/27/80/551582780.db2.gz	JLAPBNFGLRUBOA-GVDBMIGSSA-N	0	3	381.314	2.516	10	70		GFIEHN
O=C(NC[C@H](O)CN1CCCCC1)c1cc2c(cccc2Br)[nH]1	ZINC000160418993	551579656	/nfs/dbraw/zinc/57/96/56/551579656.db2.gz	JPYYLXFRRMTDHK-LBPRGKRZSA-N	0	3	380.286	2.507	10	70		GFIEHN
C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160635014	551583504	/nfs/dbraw/zinc/58/35/04/551583504.db2.gz	RWSBLBDGDGOUGZ-DOMZBBRYSA-N	0	3	375.296	2.724	10	70		GFIEHN
CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@@H](O)CN1CCCCC1	ZINC000159936762	551573079	/nfs/dbraw/zinc/57/30/79/551573079.db2.gz	KMIFXBYTQQMCIG-DOTOQJQBSA-N	0	3	397.357	2.981	10	70		GFIEHN
O=C(NC[C@H](O)CN1CCCCC1)[C@H]1C[C@@H]1c1cccc(Br)c1	ZINC000160298050	551578726	/nfs/dbraw/zinc/57/87/26/551578726.db2.gz	ASZMNKOAWNSSEC-BBWFWOEESA-N	0	3	381.314	2.516	10	70		GFIEHN
O=C(CCCOc1cccc(Br)c1)NC[C@@H](O)CN1CCCCC1	ZINC000160337933	551579478	/nfs/dbraw/zinc/57/94/78/551579478.db2.gz	ZAQUQITUGOPGPB-MRXNPFEDSA-N	0	3	399.329	2.571	10	70		GFIEHN
CC(C)(C(=O)NC[C@H](O)CN1CCCCC1)c1cccc(Br)c1	ZINC000160537784	551582257	/nfs/dbraw/zinc/58/22/57/551582257.db2.gz	DMYNRPFJZCNCNW-INIZCTEOSA-N	0	3	383.330	2.690	10	70		GFIEHN
CC(C)Oc1cc(Br)ccc1C(=O)NC[C@@H](O)CN1CCCCC1	ZINC000160391892	551579664	/nfs/dbraw/zinc/57/96/64/551579664.db2.gz	ODKSJRVUZIJBMK-OAHLLOKOSA-N	0	3	399.329	2.813	10	70		GFIEHN
CC(C)(C(=O)NC[C@H](O)CN1CCCCC1)c1ccc(Br)cc1	ZINC000160425257	551580570	/nfs/dbraw/zinc/58/05/70/551580570.db2.gz	PKCMOGYDPSUJMT-INIZCTEOSA-N	0	3	383.330	2.690	10	70		GFIEHN
O=C(NC[C@@H](O)CN1CCCCC1)c1cc2c(cc(Br)cc2F)[nH]1	ZINC000159975440	551573460	/nfs/dbraw/zinc/57/34/60/551573460.db2.gz	PVTCQZXMQPSNTD-GFCCVEGCSA-N	0	3	398.276	2.646	10	70		GFIEHN
CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000159936509	551573294	/nfs/dbraw/zinc/57/32/94/551573294.db2.gz	KMIFXBYTQQMCIG-RDJZCZTQSA-N	0	3	397.357	2.981	10	70		GFIEHN
C[C@H](CC(=O)NC[C@H](O)CN1CCCCC1)c1ccc(Br)cc1	ZINC000160105275	551575419	/nfs/dbraw/zinc/57/54/19/551575419.db2.gz	SRBSAXDVZIQFBO-PBHICJAKSA-N	0	3	383.330	2.906	10	70		GFIEHN
O=C(NC[C@@H](O)CN1CCCCC1)c1cc2cc(Br)ccc2o1	ZINC000160046055	551574837	/nfs/dbraw/zinc/57/48/37/551574837.db2.gz	RGDWUQGZKSSMIT-CQSZACIVSA-N	0	3	381.270	2.772	10	70		GFIEHN
O=C(CCCc1ccccc1Br)NC[C@@H](O)CN1CCCCC1	ZINC000160104988	551575345	/nfs/dbraw/zinc/57/53/45/551575345.db2.gz	MGXPFLVUBXXSHT-MRXNPFEDSA-N	0	3	383.330	2.735	10	70		GFIEHN
CN(C)C[C@H]1CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)CCO1	ZINC000160472616	551581224	/nfs/dbraw/zinc/58/12/24/551581224.db2.gz	IEVBJIZUDZXGJB-NSHDSACASA-N	0	3	395.219	2.871	10	70		GFIEHN
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](O)CN1CCCCC1	ZINC000160617858	551583487	/nfs/dbraw/zinc/58/34/87/551583487.db2.gz	JODIBIOKFQDXRV-QWHCGFSZSA-N	0	3	375.296	2.724	10	70		GFIEHN
O=C(NC[C@@H](O)CN1CCCCC1)C1(c2ccc(Br)cc2)CCC1	ZINC000160117950	551575698	/nfs/dbraw/zinc/57/56/98/551575698.db2.gz	LSZZVVPRBHPQMD-QGZVFWFLSA-N	0	3	395.341	2.834	10	70		GFIEHN
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160499451	551581201	/nfs/dbraw/zinc/58/12/01/551581201.db2.gz	LESBQZCWOZGKOP-OCCSQVGLSA-N	0	3	375.296	2.724	10	70		GFIEHN
O=C(NC[C@H](O)CN1CCCCC1)c1cc2cc(Br)ccc2o1	ZINC000160045925	551574694	/nfs/dbraw/zinc/57/46/94/551574694.db2.gz	RGDWUQGZKSSMIT-AWEZNQCLSA-N	0	3	381.270	2.772	10	70		GFIEHN
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](O)CN1CCCCC1	ZINC000160123805	551576029	/nfs/dbraw/zinc/57/60/29/551576029.db2.gz	FFCKPNDOMYXSGH-CHWSQXEVSA-N	0	3	375.296	2.724	10	70		GFIEHN
C[C@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(Br)cc1	ZINC000160105550	551575319	/nfs/dbraw/zinc/57/53/19/551575319.db2.gz	SRBSAXDVZIQFBO-RHSMWYFYSA-N	0	3	383.330	2.906	10	70		GFIEHN
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160123549	551575695	/nfs/dbraw/zinc/57/56/95/551575695.db2.gz	FFCKPNDOMYXSGH-OLZOCXBDSA-N	0	3	375.296	2.724	10	70		GFIEHN
CN(C)C[C@@H]1CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)CCO1	ZINC000160472513	551581141	/nfs/dbraw/zinc/58/11/41/551581141.db2.gz	IEVBJIZUDZXGJB-LLVKDONJSA-N	0	3	395.219	2.871	10	70		GFIEHN
Cc1cc(CCC(=O)NC[C@H](O)CN2CCCCC2)ccc1Br	ZINC000160160119	551576196	/nfs/dbraw/zinc/57/61/96/551576196.db2.gz	VLCZYOHHQFQIDJ-INIZCTEOSA-N	0	3	383.330	2.653	10	70		GFIEHN
O=C(NC[C@H](O)CN1CCCCC1)[C@H]1C[C@H]1c1cccc(Br)c1	ZINC000160297929	551578954	/nfs/dbraw/zinc/57/89/54/551578954.db2.gz	ASZMNKOAWNSSEC-ULQDDVLXSA-N	0	3	381.314	2.516	10	70		GFIEHN
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@@H](O)CN1CCCCC1	ZINC000160618005	551583304	/nfs/dbraw/zinc/58/33/04/551583304.db2.gz	JODIBIOKFQDXRV-CHWSQXEVSA-N	0	3	375.296	2.724	10	70		GFIEHN
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](O)CN1CCCCC1	ZINC000160123685	551575753	/nfs/dbraw/zinc/57/57/53/551575753.db2.gz	FFCKPNDOMYXSGH-QWHCGFSZSA-N	0	3	375.296	2.724	10	70		GFIEHN
CC(C)CN1CCC[C@@H]1CNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1	ZINC000160447950	551580403	/nfs/dbraw/zinc/58/04/03/551580403.db2.gz	MSTQWONSKOJBFD-MRXNPFEDSA-N	0	3	386.945	2.740	10	70		GFIEHN
O=C(NC[C@H](O)CN1CCCCC1)c1ccc(Br)c(Cl)c1	ZINC000160223782	551577395	/nfs/dbraw/zinc/57/73/95/551577395.db2.gz	VAGCLPBUQOMWKP-LBPRGKRZSA-N	0	3	375.694	2.679	10	70		GFIEHN
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160123415	551575959	/nfs/dbraw/zinc/57/59/59/551575959.db2.gz	FFCKPNDOMYXSGH-STQMWFEESA-N	0	3	375.296	2.724	10	70		GFIEHN
O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(Br)c(Cl)c1	ZINC000160223916	551577326	/nfs/dbraw/zinc/57/73/26/551577326.db2.gz	VAGCLPBUQOMWKP-GFCCVEGCSA-N	0	3	375.694	2.679	10	70		GFIEHN
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160499337	551580975	/nfs/dbraw/zinc/58/09/75/551580975.db2.gz	LESBQZCWOZGKOP-JSGCOSHPSA-N	0	3	375.296	2.724	10	70		GFIEHN
CC[C@H](Cc1ccccc1Br)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000159936640	551573025	/nfs/dbraw/zinc/57/30/25/551573025.db2.gz	KMIFXBYTQQMCIG-WBVHZDCISA-N	0	3	397.357	2.981	10	70		GFIEHN
C[C@@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(Br)cc1	ZINC000160105417	551575439	/nfs/dbraw/zinc/57/54/39/551575439.db2.gz	SRBSAXDVZIQFBO-WMLDXEAASA-N	0	3	383.330	2.906	10	70		GFIEHN
O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@@H](O)CN1CCCCC1	ZINC000160226346	551577250	/nfs/dbraw/zinc/57/72/50/551577250.db2.gz	YQUIXGSINYKZBE-LLVKDONJSA-N	0	3	395.714	2.989	10	70		GFIEHN
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](O)CN1CCCCC1	ZINC000160499565	551581094	/nfs/dbraw/zinc/58/10/94/551581094.db2.gz	LESBQZCWOZGKOP-GXTWGEPZSA-N	0	3	375.296	2.724	10	70		GFIEHN
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](O)CN1CCCCC1	ZINC000160499697	551581149	/nfs/dbraw/zinc/58/11/49/551581149.db2.gz	LESBQZCWOZGKOP-TZMCWYRMSA-N	0	3	375.296	2.724	10	70		GFIEHN
O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1C[C@@H]1c1cccc(Br)c1	ZINC000160298293	551578540	/nfs/dbraw/zinc/57/85/40/551578540.db2.gz	ASZMNKOAWNSSEC-GVDBMIGSSA-N	0	3	381.314	2.516	10	70		GFIEHN
O=C(NC[C@H](O)CN1CCCCC1)c1cc2cc(Br)ccc2[nH]1	ZINC000160045706	551574785	/nfs/dbraw/zinc/57/47/85/551574785.db2.gz	VOCVCANKVLSNNI-AWEZNQCLSA-N	0	3	380.286	2.507	10	70		GFIEHN
O=C(NC[C@H](O)CN1CCCCC1)[C@H]1C[C@@H]1c1ccc(Br)cc1	ZINC000160560677	551582892	/nfs/dbraw/zinc/58/28/92/551582892.db2.gz	JLAPBNFGLRUBOA-BBWFWOEESA-N	0	3	381.314	2.516	10	70		GFIEHN
C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160634907	551583199	/nfs/dbraw/zinc/58/31/99/551583199.db2.gz	RWSBLBDGDGOUGZ-WFASDCNBSA-N	0	3	375.296	2.724	10	70		GFIEHN
O=C(Cc1cc(Cl)ccc1Br)NC[C@@H](O)CN1CCCCC1	ZINC000160201183	551577284	/nfs/dbraw/zinc/57/72/84/551577284.db2.gz	DLQFPWUKBCICNP-CQSZACIVSA-N	0	3	389.721	2.608	10	70		GFIEHN
O=C(NC[C@H](O)CN1CCCCC1)[C@H]1C[C@H]1c1ccc(Br)cc1	ZINC000160560559	551582148	/nfs/dbraw/zinc/58/21/48/551582148.db2.gz	JLAPBNFGLRUBOA-ULQDDVLXSA-N	0	3	381.314	2.516	10	70		GFIEHN
CCC[C@@H](C(=O)NCc1ccc(Br)cc1N1CCOCC1)N(C)C	ZINC000160572643	551582681	/nfs/dbraw/zinc/58/26/81/551582681.db2.gz	UKWQDJSPRJWNQK-INIZCTEOSA-N	0	3	398.345	2.632	10	70		GFIEHN