smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1Br)[NH+]1CCOCC1	ZINC000160832062	551585952	/nfs/dbraw/zinc/58/59/52/551585952.db2.gz	QADYIFGNXNFXFS-SNVBAGLBSA-N	1	2	395.219	2.918	10	70		GFIELO
CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@@H]1CSCCS1	ZINC000160527212	551581781	/nfs/dbraw/zinc/58/17/81/551581781.db2.gz	UOPWJBRRQQHMTE-CABCVRRESA-N	1	2	386.608	2.819	10	70		GFIELO
CCOCC[N@@H+]1CCN(C(=O)c2ccc(Br)c(O)c2)C[C@H]1CC	ZINC000160433129	551580658	/nfs/dbraw/zinc/58/06/58/551580658.db2.gz	HBFCUQXESNYOQB-CQSZACIVSA-N	1	2	385.302	2.728	10	70		GFIELO
CCOCC[N@H+]1CCN(C(=O)c2ccc(Br)c(O)c2)C[C@H]1CC	ZINC000160433129	551580663	/nfs/dbraw/zinc/58/06/63/551580663.db2.gz	HBFCUQXESNYOQB-CQSZACIVSA-N	1	2	385.302	2.728	10	70		GFIELO
O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	ZINC000218775050	570340633	/nfs/dbraw/zinc/34/06/33/570340633.db2.gz	KUXIWAJCSPZGBJ-IBGZPJMESA-N	1	2	377.448	2.763	10	70		GFIELO
CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@H]1CSCCS1	ZINC000160527468	551581854	/nfs/dbraw/zinc/58/18/54/551581854.db2.gz	UOPWJBRRQQHMTE-GJZGRUSLSA-N	1	2	386.608	2.819	10	70		GFIELO
CCOCC[N@@H+]1CCN(C(=O)c2ccc(Br)c(O)c2)C[C@@H]1CC	ZINC000160433234	551580355	/nfs/dbraw/zinc/58/03/55/551580355.db2.gz	HBFCUQXESNYOQB-AWEZNQCLSA-N	1	2	385.302	2.728	10	70		GFIELO
CCOCC[N@H+]1CCN(C(=O)c2ccc(Br)c(O)c2)C[C@@H]1CC	ZINC000160433234	551580358	/nfs/dbraw/zinc/58/03/58/551580358.db2.gz	HBFCUQXESNYOQB-AWEZNQCLSA-N	1	2	385.302	2.728	10	70		GFIELO
C[C@@H]1C[N@@H+]([C@@H](CNC(=O)C[C@@H]2CSCCS2)c2cccs2)CCO1	ZINC000160535760	551582353	/nfs/dbraw/zinc/58/23/53/551582353.db2.gz	WIOOSYDRMODCDK-KFWWJZLASA-N	1	2	386.608	2.865	10	70		GFIELO
C[C@@H]1C[N@H+]([C@@H](CNC(=O)C[C@@H]2CSCCS2)c2cccs2)CCO1	ZINC000160535760	551582355	/nfs/dbraw/zinc/58/23/55/551582355.db2.gz	WIOOSYDRMODCDK-KFWWJZLASA-N	1	2	386.608	2.865	10	70		GFIELO
C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)C1	ZINC000159587924	551567403	/nfs/dbraw/zinc/56/74/03/551567403.db2.gz	SYGYKIQALMBYMS-JTQLQIEISA-N	1	2	381.192	2.528	10	70		GFIELO
C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)C1	ZINC000159587924	551567407	/nfs/dbraw/zinc/56/74/07/551567407.db2.gz	SYGYKIQALMBYMS-JTQLQIEISA-N	1	2	381.192	2.528	10	70		GFIELO
COC(=O)c1csc(NC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)c1	ZINC000160656572	551583860	/nfs/dbraw/zinc/58/38/60/551583860.db2.gz	GIZIMMSSDOTJIU-UHFFFAOYSA-N	1	2	380.495	2.649	10	70		GFIELO
NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@H](Oc2cccnc2)C1	ZINC000161444526	551594518	/nfs/dbraw/zinc/59/45/18/551594518.db2.gz	QMHLDTBHZJHLJO-HOTGVXAUSA-N	1	2	376.254	2.524	10	70		GFIELO
NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H](Oc2cccnc2)C1	ZINC000161444526	551594519	/nfs/dbraw/zinc/59/45/19/551594519.db2.gz	QMHLDTBHZJHLJO-HOTGVXAUSA-N	1	2	376.254	2.524	10	70		GFIELO
CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@@H]1CSCCS1	ZINC000160527357	551581844	/nfs/dbraw/zinc/58/18/44/551581844.db2.gz	UOPWJBRRQQHMTE-HUUCEWRRSA-N	1	2	386.608	2.819	10	70		GFIELO
C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)C1	ZINC000159587767	551567561	/nfs/dbraw/zinc/56/75/61/551567561.db2.gz	SYGYKIQALMBYMS-SNVBAGLBSA-N	1	2	381.192	2.528	10	70		GFIELO
C[N@H+]1CCO[C@H](CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)C1	ZINC000159587767	551567562	/nfs/dbraw/zinc/56/75/62/551567562.db2.gz	SYGYKIQALMBYMS-SNVBAGLBSA-N	1	2	381.192	2.528	10	70		GFIELO
C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1Br)[NH+]1CCOCC1	ZINC000160831935	551585672	/nfs/dbraw/zinc/58/56/72/551585672.db2.gz	QADYIFGNXNFXFS-JTQLQIEISA-N	1	2	395.219	2.918	10	70		GFIELO
NC(=O)[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@H](Oc2cccnc2)C1	ZINC000161444659	551594419	/nfs/dbraw/zinc/59/44/19/551594419.db2.gz	QMHLDTBHZJHLJO-JKSUJKDBSA-N	1	2	376.254	2.524	10	70		GFIELO
NC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@H](Oc2cccnc2)C1	ZINC000161444659	551594422	/nfs/dbraw/zinc/59/44/22/551594422.db2.gz	QMHLDTBHZJHLJO-JKSUJKDBSA-N	1	2	376.254	2.524	10	70		GFIELO
CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@H]1CSCCS1	ZINC000160527593	551581455	/nfs/dbraw/zinc/58/14/55/551581455.db2.gz	UOPWJBRRQQHMTE-LSDHHAIUSA-N	1	2	386.608	2.819	10	70		GFIELO
O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CCCn2nc([C@H](O)C3CC3)cc2C1	ZINC000218775138	570340661	/nfs/dbraw/zinc/34/06/61/570340661.db2.gz	KUXIWAJCSPZGBJ-LJQANCHMSA-N	1	2	377.448	2.763	10	70		GFIELO