smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218489501	257130420	/nfs/dbraw/zinc/13/04/20/257130420.db2.gz	BXWFWHOCVJPUJP-ZNMIVQPWSA-N	0	1	307.802	2.607	40	70		DFIBMN
Cc1ccc([C@H]2[C@@H](N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000218446608	398345762	/nfs/dbraw/zinc/34/57/62/398345762.db2.gz	MMHQUHAESAWLPK-GVDBMIGSSA-N	0	1	301.411	2.570	40	70		DFIBMN
C[C@@H](N)c1nnc2ccc(-c3ccc(Br)cc3)nn21	ZINC000217555256	257131586	/nfs/dbraw/zinc/13/15/86/257131586.db2.gz	LSVKWMHUEHNYOQ-MRVPVSSYSA-N	0	1	318.178	2.574	40	70		DFIBMN
Cc1nc(N2CCC[C@H](C(=O)[O-])C2)cc(Nc2ccccc2)[nH+]1	ZINC000217362495	542877124	/nfs/dbraw/zinc/87/71/24/542877124.db2.gz	RSGRFVGTNKETMW-ZDUSSCGKSA-N	0	1	312.373	2.830	40	70		DFIBMN
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](N)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000218486945	262486118	/nfs/dbraw/zinc/48/61/18/262486118.db2.gz	PNUSQSAOUXUMJN-XHSDSOJGSA-N	0	1	321.829	2.915	40	70		DFIBMN
CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@H]2N)cc1	ZINC000218519072	426568148	/nfs/dbraw/zinc/56/81/48/426568148.db2.gz	TWJKISVPJIDOMZ-IXDOHACOSA-N	0	1	301.411	2.516	40	70		DFIBMN
Cc1cc(N)c(NC(=O)c2ccccc2)cc1N1CCN(C)CC1	ZINC000216867744	426561811	/nfs/dbraw/zinc/56/18/11/426561811.db2.gz	KWHJLBNGGLZKOC-UHFFFAOYSA-N	0	1	324.428	2.581	40	70		DFIBMN
Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@H]2N)cc1	ZINC000218548808	426568647	/nfs/dbraw/zinc/56/86/47/426568647.db2.gz	KEVQLNPQEAOFLR-OWCLPIDISA-N	0	1	321.829	2.915	40	70		DFIBMN
N[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218489735	398346264	/nfs/dbraw/zinc/34/62/64/398346264.db2.gz	BXWFWHOCVJPUJP-ILXRZTDVSA-N	0	1	307.802	2.607	40	70		DFIBMN
N[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218489666	257131012	/nfs/dbraw/zinc/13/10/12/257131012.db2.gz	BXWFWHOCVJPUJP-KFWWJZLASA-N	0	1	307.802	2.607	40	70		DFIBMN
C[C@H](N)c1nnc2ccc(-c3ccc(Br)cc3)nn21	ZINC000217555338	257131319	/nfs/dbraw/zinc/13/13/19/257131319.db2.gz	LSVKWMHUEHNYOQ-QMMMGPOBSA-N	0	1	318.178	2.574	40	70		DFIBMN
Cc1nc(N2CCC(C(=O)[O-])CC2)cc(Nc2ccccc2)[nH+]1	ZINC000217360334	542877170	/nfs/dbraw/zinc/87/71/70/542877170.db2.gz	HEFHBUKSZQXANP-UHFFFAOYSA-N	0	1	312.373	2.830	40	70		DFIBMN
COc1cc2nc(-c3ccc(C(N)=O)cc3)[nH]c2c(Cl)c1	ZINC000216920267	426561993	/nfs/dbraw/zinc/56/19/93/426561993.db2.gz	GMPCJAGRVVRRNO-UHFFFAOYSA-N	0	1	301.733	2.991	40	70		DFIBMN
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](N)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000218491228	398345797	/nfs/dbraw/zinc/34/57/97/398345797.db2.gz	ZSHPTAWLFYRDRW-HRCADAONSA-N	0	1	321.829	2.915	40	70		DFIBMN
COc1ccc(-c2ccc3nnc([C@@H]4CCCCN4)n3n2)cc1	ZINC000217562568	257131721	/nfs/dbraw/zinc/13/17/21/257131721.db2.gz	NNLNMZJVCQLFRF-HNNXBMFYSA-N	0	1	309.373	2.615	40	70		DFIBMN
Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@H]2N)cc1	ZINC000218446694	257130579	/nfs/dbraw/zinc/13/05/79/257130579.db2.gz	MMHQUHAESAWLPK-IXDOHACOSA-N	0	1	301.411	2.570	40	70		DFIBMN
C[N@H+]1C[C@H](C(=O)[O-])[C@H](c2ccc(OCc3ccccc3)cc2)C1	ZINC000217666961	257131639	/nfs/dbraw/zinc/13/16/39/257131639.db2.gz	XEWWCNVQEAMEAP-ROUUACIJSA-N	0	1	311.381	2.995	40	70		DFIBMN
Cc1ccc(S(=O)(=O)[C@H]2[C@H](N)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000218487009	398345890	/nfs/dbraw/zinc/34/58/90/398345890.db2.gz	PNUSQSAOUXUMJN-ARFHVFGLSA-N	0	1	321.829	2.915	40	70		DFIBMN
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@H]2N)cc1	ZINC000218548891	398346087	/nfs/dbraw/zinc/34/60/87/398346087.db2.gz	KEVQLNPQEAOFLR-HRCADAONSA-N	0	1	321.829	2.915	40	70		DFIBMN
N[C@H]1[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218064119	426565821	/nfs/dbraw/zinc/56/58/21/426565821.db2.gz	WOMREOFYIYODBP-ILXRZTDVSA-N	0	1	307.802	2.607	40	70		DFIBMN
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@H]2N)cc1	ZINC000218520935	398345779	/nfs/dbraw/zinc/34/57/79/398345779.db2.gz	JFKFYIUGODNXAZ-OKZBNKHCSA-N	0	1	315.438	2.824	40	70		DFIBMN
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](N)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000218491150	257130385	/nfs/dbraw/zinc/13/03/85/257130385.db2.gz	ZSHPTAWLFYRDRW-JYJNAYRXSA-N	0	1	321.829	2.915	40	70		DFIBMN
Cc1ccc(S(=O)(=O)[C@H]2[C@H](N)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000218491383	398345692	/nfs/dbraw/zinc/34/56/92/398345692.db2.gz	ZSHPTAWLFYRDRW-ARFHVFGLSA-N	0	1	321.829	2.915	40	70		DFIBMN
C[C@H](N)c1nnc2ccc(-c3cccc(Br)c3)nn21	ZINC000217555530	257131608	/nfs/dbraw/zinc/13/16/08/257131608.db2.gz	QJGGLJUTMWNKKH-QMMMGPOBSA-N	0	1	318.178	2.574	40	70		DFIBMN
C[N@@H+]1C[C@@H](c2ccc(OCc3ccccc3)cc2)[C@H](C(=O)[O-])C1	ZINC000217667050	257131434	/nfs/dbraw/zinc/13/14/34/257131434.db2.gz	XEWWCNVQEAMEAP-ZWKOTPCHSA-N	0	1	311.381	2.995	40	70		DFIBMN
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](N)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000218486792	426567185	/nfs/dbraw/zinc/56/71/85/426567185.db2.gz	PNUSQSAOUXUMJN-JYJNAYRXSA-N	0	1	321.829	2.915	40	70		DFIBMN
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](N)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000218486866	398346070	/nfs/dbraw/zinc/34/60/70/398346070.db2.gz	PNUSQSAOUXUMJN-HRCADAONSA-N	0	1	321.829	2.915	40	70		DFIBMN
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](N)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000218491307	257131075	/nfs/dbraw/zinc/13/10/75/257131075.db2.gz	ZSHPTAWLFYRDRW-XHSDSOJGSA-N	0	1	321.829	2.915	40	70		DFIBMN
N[C@H]1[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218485196	398345927	/nfs/dbraw/zinc/34/59/27/398345927.db2.gz	XSPYTTKCFOPLHJ-KKUMJFAQSA-N	0	1	307.802	2.607	40	70		DFIBMN
Cc1ccc([C@@H]2[C@@H](N)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000218548633	426568663	/nfs/dbraw/zinc/56/86/63/426568663.db2.gz	KEVQLNPQEAOFLR-BZUAXINKSA-N	0	1	321.829	2.915	40	70		DFIBMN
CCc1ccc([C@H]2[C@@H](N)[C@@H]2S(=O)(=O)c2ccccc2)cc1	ZINC000218518997	398346236	/nfs/dbraw/zinc/34/62/36/398346236.db2.gz	TWJKISVPJIDOMZ-GVDBMIGSSA-N	0	1	301.411	2.516	40	70		DFIBMN
O=C([O-])c1cnc(C[NH+]2CCC(Cc3ccccc3)CC2)nc1	ZINC000217343631	542877202	/nfs/dbraw/zinc/87/72/02/542877202.db2.gz	HLLJICCSPYMRJO-UHFFFAOYSA-N	0	1	311.385	2.630	40	70		DFIBMN
Cc1ccc([C@H]2[C@@H](N)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000218548719	398345751	/nfs/dbraw/zinc/34/57/51/398345751.db2.gz	KEVQLNPQEAOFLR-ARFHVFGLSA-N	0	1	321.829	2.915	40	70		DFIBMN
N[C@@H]1[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218063882	257131707	/nfs/dbraw/zinc/13/17/07/257131707.db2.gz	WOMREOFYIYODBP-ZNMIVQPWSA-N	0	1	307.802	2.607	40	70		DFIBMN
N[C@H]1[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218063967	426565275	/nfs/dbraw/zinc/56/52/75/426565275.db2.gz	WOMREOFYIYODBP-KKUMJFAQSA-N	0	1	307.802	2.607	40	70		DFIBMN
Cc1ccc([C@@H]2[C@@H](N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000218446532	257131026	/nfs/dbraw/zinc/13/10/26/257131026.db2.gz	MMHQUHAESAWLPK-BRWVUGGUSA-N	0	1	301.411	2.570	40	70		DFIBMN
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@H]2N)cc1	ZINC000218519154	398345972	/nfs/dbraw/zinc/34/59/72/398345972.db2.gz	TWJKISVPJIDOMZ-YESZJQIVSA-N	0	1	301.411	2.516	40	70		DFIBMN
CCc1ccc([C@@H]2[C@@H](N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000218520701	426568030	/nfs/dbraw/zinc/56/80/30/426568030.db2.gz	JFKFYIUGODNXAZ-KZNAEPCWSA-N	0	1	315.438	2.824	40	70		DFIBMN
Cc1cc(Cl)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1	ZINC000217396600	542877517	/nfs/dbraw/zinc/87/75/17/542877517.db2.gz	NHSXSBHXFLMXFS-UHFFFAOYSA-N	0	1	318.185	2.893	40	70		DFIBMN
CCc1ccc([C@@H]2[C@@H](N)[C@@H]2S(=O)(=O)c2ccccc2)cc1	ZINC000218518912	262486202	/nfs/dbraw/zinc/48/62/02/262486202.db2.gz	TWJKISVPJIDOMZ-BRWVUGGUSA-N	0	1	301.411	2.516	40	70		DFIBMN
N[C@@H]1[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218064052	257131576	/nfs/dbraw/zinc/13/15/76/257131576.db2.gz	WOMREOFYIYODBP-KFWWJZLASA-N	0	1	307.802	2.607	40	70		DFIBMN
N[C@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218485347	398345920	/nfs/dbraw/zinc/34/59/20/398345920.db2.gz	XSPYTTKCFOPLHJ-ILXRZTDVSA-N	0	1	307.802	2.607	40	70		DFIBMN
C[C@@H](N)c1nnc2ccc(-c3cccc(Br)c3)nn21	ZINC000217555450	257131768	/nfs/dbraw/zinc/13/17/68/257131768.db2.gz	QJGGLJUTMWNKKH-MRVPVSSYSA-N	0	1	318.178	2.574	40	70		DFIBMN
CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@H]2N)cc1	ZINC000218520857	426568290	/nfs/dbraw/zinc/56/82/90/426568290.db2.gz	JFKFYIUGODNXAZ-FGTMMUONSA-N	0	1	315.438	2.824	40	70		DFIBMN
COc1cc2nc(-c3cccc(C(N)=O)c3)[nH]c2c(Cl)c1	ZINC000216920028	426561354	/nfs/dbraw/zinc/56/13/54/426561354.db2.gz	LWHHHWFZBUDEGQ-UHFFFAOYSA-N	0	1	301.733	2.991	40	70		DFIBMN
CCc1ccc([C@H]2[C@@H](N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000218520770	398346122	/nfs/dbraw/zinc/34/61/22/398346122.db2.gz	JFKFYIUGODNXAZ-RCCFBDPRSA-N	0	1	315.438	2.824	40	70		DFIBMN
COc1ccc(-c2ccc3nnc([C@H]4CCCCN4)n3n2)cc1	ZINC000217562638	257131623	/nfs/dbraw/zinc/13/16/23/257131623.db2.gz	NNLNMZJVCQLFRF-OAHLLOKOSA-N	0	1	309.373	2.615	40	70		DFIBMN
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@H]2N)cc1	ZINC000218446780	398345954	/nfs/dbraw/zinc/34/59/54/398345954.db2.gz	MMHQUHAESAWLPK-YESZJQIVSA-N	0	1	301.411	2.570	40	70		DFIBMN
N[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218489574	398346196	/nfs/dbraw/zinc/34/61/96/398346196.db2.gz	BXWFWHOCVJPUJP-KKUMJFAQSA-N	0	1	307.802	2.607	40	70		DFIBMN
Cc1nc(N2CCC[C@@H](C(=O)[O-])C2)cc(Nc2ccccc2)[nH+]1	ZINC000217362415	542877485	/nfs/dbraw/zinc/87/74/85/542877485.db2.gz	RSGRFVGTNKETMW-CYBMUJFWSA-N	0	1	312.373	2.830	40	70		DFIBMN
N[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218485274	426567853	/nfs/dbraw/zinc/56/78/53/426567853.db2.gz	XSPYTTKCFOPLHJ-KFWWJZLASA-N	0	1	307.802	2.607	40	70		DFIBMN
N[C@@H]1[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218485111	426568077	/nfs/dbraw/zinc/56/80/77/426568077.db2.gz	XSPYTTKCFOPLHJ-ZNMIVQPWSA-N	0	1	307.802	2.607	40	70		DFIBMN