smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(Cl)cccc1/N=C/c1ccc([O-])cc1	ZINC000000046002	342671375	/nfs/dbraw/zinc/67/13/75/342671375.db2.gz	BINYFERDESGRBZ-CXUHLZMHSA-N	-1	3	245.709	4.105	50	30		BIEAHM
[O-]c1ccc(/N=C/c2ccc3ccccc3c2)cc1	ZINC000000065008	183268066	/nfs/dbraw/zinc/26/80/66/183268066.db2.gz	YNUICXHDIPFGBR-LDADJPATSA-N	-1	3	247.297	4.296	50	30		BIEAHM
[O-]c1ccc(/C=N/c2cccc3ccccc32)cc1	ZINC000000226108	183266888	/nfs/dbraw/zinc/26/68/88/183266888.db2.gz	GWZBECWYBXRWNF-LDADJPATSA-N	-1	3	247.297	4.296	50	30		BIEAHM
[O-]c1cccc(/C=N/c2cccc3ccccc32)c1	ZINC000000515533	183288339	/nfs/dbraw/zinc/28/83/39/183288339.db2.gz	NACYNHPVSWFUHO-LDADJPATSA-N	-1	3	247.297	4.296	50	30		BIEAHM
CC(C)c1ccc(/C=N/c2ccc([O-])cc2)cc1	ZINC000000515536	356359504	/nfs/dbraw/zinc/35/95/04/356359504.db2.gz	NRPJLMMBEGUBFO-GZTJUZNOSA-N	-1	3	239.318	4.266	50	30		BIEAHM
[O-]c1ccc(/N=C/c2cccc3ccccc23)cc1	ZINC000000587865	183267448	/nfs/dbraw/zinc/26/74/48/183267448.db2.gz	CZTLTCCMXCBZDZ-LDADJPATSA-N	-1	3	247.297	4.296	50	30		BIEAHM
Cc1cc(C)c(/N=C/c2ccc([O-])cc2)c(C)c1	ZINC000002143575	387241100	/nfs/dbraw/zinc/24/11/00/387241100.db2.gz	YFOLNSQVZOQIJF-LICLKQGHSA-N	-1	3	239.318	4.068	50	30		BIEAHM
Cc1ccc(/N=C/c2ccc([O-])cc2)cc1Cl	ZINC000002143585	178359761	/nfs/dbraw/zinc/35/97/61/178359761.db2.gz	UCVJHGPJQGZLBV-CXUHLZMHSA-N	-1	3	245.709	4.105	50	30		BIEAHM
Cc1ccc(Cl)cc1/N=C/c1ccc([O-])cc1	ZINC000002143588	356365248	/nfs/dbraw/zinc/36/52/48/356365248.db2.gz	LLQPWOZXWUZECU-CXUHLZMHSA-N	-1	3	245.709	4.105	50	30		BIEAHM
Cc1cc(Cl)ccc1/N=C/c1ccc([O-])cc1	ZINC000002143608	178065175	/nfs/dbraw/zinc/06/51/75/178065175.db2.gz	HQOUYSGZVLCBEM-CXUHLZMHSA-N	-1	3	245.709	4.105	50	30		BIEAHM
CCCCCCCCOc1ccc(/C=N/[O-])cc1	ZINC000002274700	368302949	/nfs/dbraw/zinc/30/29/49/368302949.db2.gz	PUFQYBJCWNHCIH-DTQAZKPQSA-N	-1	3	249.354	4.234	50	30		BIEAHM
Cc1cc(C)c(/N=C/c2ccccc2[O-])c(C)c1	ZINC000003199860	387234877	/nfs/dbraw/zinc/23/48/77/387234877.db2.gz	GFXUGLRIJLPSQR-LICLKQGHSA-N	-1	3	239.318	4.068	50	30		BIEAHM
Cc1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1	ZINC000005286741	178360162	/nfs/dbraw/zinc/36/01/62/178360162.db2.gz	RMSIXEWBUNUTQC-CXUHLZMHSA-N	-1	3	245.709	4.105	50	30		BIEAHM
Cc1cc(Cl)ccc1/N=C\c1ccccc1[O-]	ZINC000005286948	178065674	/nfs/dbraw/zinc/06/56/74/178065674.db2.gz	ZCTOGZMBBSFDOP-SXGWCWSVSA-N	-1	3	245.709	4.105	50	30		BIEAHM
CC(C)c1ccc(/N=C\c2ccccc2[O-])cc1	ZINC000005644530	346295523	/nfs/dbraw/zinc/29/55/23/346295523.db2.gz	CMMAUCDBNBLVIV-BOPFTXTBSA-N	-1	3	239.318	4.266	50	30		BIEAHM
C/C(=N\[O-])c1ccc(Sc2ccccc2)cc1	ZINC000013469049	187251194	/nfs/dbraw/zinc/25/11/94/187251194.db2.gz	FRLTZFRFAWAIJF-RVDMUPIBSA-N	-1	3	243.331	4.036	50	30		BIEAHM
Cc1ccc(Cl)cc1/N=C\c1ccccc1[O-]	ZINC000016998566	342918737	/nfs/dbraw/zinc/91/87/37/342918737.db2.gz	XIMATYDWNQNCNW-SXGWCWSVSA-N	-1	3	245.709	4.105	50	30		BIEAHM
Cc1ccccc1/N=C/c1cc(Cl)ccc1[O-]	ZINC000016999511	179243937	/nfs/dbraw/zinc/24/39/37/179243937.db2.gz	FRMHOFWFSFFMTQ-CXUHLZMHSA-N	-1	3	245.709	4.105	50	30		BIEAHM
Cc1ccc(/N=C/c2ccccc2[O-])cc1Cl	ZINC000017376526	178359152	/nfs/dbraw/zinc/35/91/52/178359152.db2.gz	UAXRVVVUIYPSRP-CXUHLZMHSA-N	-1	3	245.709	4.105	50	30		BIEAHM
CCCCCCC/N=C(\C)c1ccccc1[O-]	ZINC000017545096	519960652	/nfs/dbraw/zinc/96/06/52/519960652.db2.gz	KWCMZQHAOYTQIW-DTQAZKPQSA-N	-1	3	233.355	4.172	50	30		BIEAHM
CC(C)c1cccc(/N=C\c2ccccc2[O-])c1	ZINC000044835669	411141457	/nfs/dbraw/zinc/14/14/57/411141457.db2.gz	OLBFIIRYJHICBE-BOPFTXTBSA-N	-1	3	239.318	4.266	50	30		BIEAHM
Cc1cc(/N=C\c2ccccc2[O-])ccc1Cl	ZINC000044835757	411141397	/nfs/dbraw/zinc/14/13/97/411141397.db2.gz	NEIFGPYIVUHZGZ-SXGWCWSVSA-N	-1	3	245.709	4.105	50	30		BIEAHM
Cc1ccc(/N=C\c2ccccc2[O-])cc1Cl	ZINC000095481360	178360131	/nfs/dbraw/zinc/36/01/31/178360131.db2.gz	UAXRVVVUIYPSRP-SXGWCWSVSA-N	-1	3	245.709	4.105	50	30		BIEAHM
[O-]c1ccccc1/C=N/c1cccc2ccccc21	ZINC000095919529	183300764	/nfs/dbraw/zinc/30/07/64/183300764.db2.gz	SOJUPXWRMKYNLZ-LDADJPATSA-N	-1	3	247.297	4.296	50	30		BIEAHM
[O-]c1ccc2ccccc2c1/C=N/c1ccccc1	ZINC000096809690	183284180	/nfs/dbraw/zinc/28/41/80/183284180.db2.gz	MUFLFHJOVXSNBI-LDADJPATSA-N	-1	3	247.297	4.296	50	30		BIEAHM
Cc1c(Cl)cccc1/N=C/c1ccccc1[O-]	ZINC000100003821	177600165	/nfs/dbraw/zinc/60/01/65/177600165.db2.gz	VBDFQHGTRKWGLZ-CXUHLZMHSA-N	-1	3	245.709	4.105	50	30		BIEAHM
Cc1cc(/N=C/c2ccccc2[O-])ccc1Cl	ZINC000100037311	384611067	/nfs/dbraw/zinc/61/10/67/384611067.db2.gz	NEIFGPYIVUHZGZ-CXUHLZMHSA-N	-1	3	245.709	4.105	50	30		BIEAHM
Cc1ccc(Cl)cc1/N=C/c1ccccc1[O-]	ZINC000100037342	384610787	/nfs/dbraw/zinc/61/07/87/384610787.db2.gz	XIMATYDWNQNCNW-CXUHLZMHSA-N	-1	3	245.709	4.105	50	30		BIEAHM
[O-]c1ccccc1/C=N/c1ccc2ccccc2c1	ZINC000100287990	183299562	/nfs/dbraw/zinc/29/95/62/183299562.db2.gz	FLUBOKFZUHGTFP-LDADJPATSA-N	-1	3	247.297	4.296	50	30		BIEAHM
CCCCCCCCc1ccc(/C=N/[O-])cc1	ZINC000100667941	385237848	/nfs/dbraw/zinc/23/78/48/385237848.db2.gz	KMDGRFHBNQSIHN-DTQAZKPQSA-N	-1	3	233.355	4.398	50	30		BIEAHM
CCCCCCCCc1ccc([O-])c(C=O)c1	ZINC000100928809	384658802	/nfs/dbraw/zinc/65/88/02/384658802.db2.gz	SXIFMUZENYUSFJ-UHFFFAOYSA-N	-1	3	234.339	4.108	50	30		BIEAHM
Cc1c(Cl)cccc1N=Cc1ccccc1[O-]	ZINC000252438303	525760049	/nfs/dbraw/zinc/76/00/49/525760049.db2.gz	VBDFQHGTRKWGLZ-UHFFFAOYSA-N	-1	3	245.709	4.105	50	30		BIEAHM
[O-]N=Cc1cc2cccc3ccc4cccc1c4c32	ZINC000252616135	364074208	/nfs/dbraw/zinc/07/42/08/364074208.db2.gz	JXQABKKHJONTMZ-UHFFFAOYSA-N	-1	3	245.281	4.392	50	30		BIEAHM
[O-]c1ccc(N=Cc2ccc3ccccc3c2)cc1	ZINC000252639802	346694933	/nfs/dbraw/zinc/69/49/33/346694933.db2.gz	YNUICXHDIPFGBR-UHFFFAOYSA-N	-1	3	247.297	4.296	50	30		BIEAHM
[O-]c1ccc2ccccc2c1C=Nc1ccccc1	ZINC000253618233	526354354	/nfs/dbraw/zinc/35/43/54/526354354.db2.gz	MUFLFHJOVXSNBI-UHFFFAOYSA-N	-1	3	247.297	4.296	50	30		BIEAHM
Cc1ccc(N=Cc2ccccc2[O-])cc1Cl	ZINC000254047089	524990015	/nfs/dbraw/zinc/99/00/15/524990015.db2.gz	UAXRVVVUIYPSRP-UHFFFAOYSA-N	-1	3	245.709	4.105	50	30		BIEAHM
Cc1ccc(Cl)cc1N=Cc1ccccc1[O-]	ZINC000254711413	524738231	/nfs/dbraw/zinc/73/82/31/524738231.db2.gz	XIMATYDWNQNCNW-UHFFFAOYSA-N	-1	3	245.709	4.105	50	30		BIEAHM
[O-]c1ccccc1C=Nc1ccc2ccccc2c1	ZINC000254762093	538624524	/nfs/dbraw/zinc/62/45/24/538624524.db2.gz	FLUBOKFZUHGTFP-UHFFFAOYSA-N	-1	3	247.297	4.296	50	30		BIEAHM