smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2nc(/N=C/c3cc(Cl)cc(Cl)c3O)sc2c1	ZINC000000325733	209537003	/nfs/dbraw/zinc/53/70/03/209537003.db2.gz	PRQQQHVMPBGJMT-CNHKJKLMSA-N	0	2	337.231	5.368	40	30		EKEBLN
Oc1ccc(/N=C/c2cccc(Cl)c2)cc1-c1nc2ccccc2o1	ZINC000000353057	563996892	/nfs/dbraw/zinc/99/68/92/563996892.db2.gz	GUWUNXXWEZRXMD-WSDLNYQXSA-N	0	2	348.789	5.604	40	30		EKEBLN
CC[C@@H](C)c1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1	ZINC000003208157	564058448	/nfs/dbraw/zinc/05/84/48/564058448.db2.gz	IHWUFPHTPBMTKJ-KTMXNEEYSA-N	0	2	338.234	5.669	40	30		EKEBLN
CC[C@H](C)c1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1	ZINC000003208161	564058452	/nfs/dbraw/zinc/05/84/52/564058452.db2.gz	IHWUFPHTPBMTKJ-YPZZKDGISA-N	0	2	338.234	5.669	40	30		EKEBLN
Oc1ccc(/N=C/c2ccc(Cl)cc2)cc1-c1nc2ccccc2o1	ZINC000005605055	563542552	/nfs/dbraw/zinc/54/25/52/563542552.db2.gz	NOCMYTADXRVALQ-WSDLNYQXSA-N	0	2	348.789	5.604	40	30		EKEBLN
COc1ccc(CSC(=S)Nc2ccc(Cl)c(C)c2)cc1	ZINC000006484564	524121117	/nfs/dbraw/zinc/12/11/17/524121117.db2.gz	GNHNADPJZSDUJY-UHFFFAOYSA-N	0	2	337.897	5.508	40	30		EKEBLN
Cc1ccc(NC(=S)SCc2ccc([N+](=O)[O-])cc2)cc1C	ZINC000006488090	525966681	/nfs/dbraw/zinc/96/66/81/525966681.db2.gz	ADVJZRJYLZAOAD-UHFFFAOYSA-N	0	2	332.450	5.062	40	30		EKEBLN
Fc1ccc(CSC(=S)Nc2cccc(C(F)(F)F)c2)cc1	ZINC000006511569	526343353	/nfs/dbraw/zinc/34/33/53/526343353.db2.gz	QAUOULMVMKORPX-UHFFFAOYSA-N	0	2	345.386	5.695	40	30		EKEBLN
Fc1cccc(NC(=S)SCc2ccc(Cl)c(Cl)c2)c1	ZINC000006511663	526381891	/nfs/dbraw/zinc/38/18/91/526381891.db2.gz	MTJROEWWKUVZSR-UHFFFAOYSA-N	0	2	346.279	5.983	40	30		EKEBLN
Fc1ccc(NC(=S)SCc2ccc(Cl)cc2)c(F)c1	ZINC000006512360	526322657	/nfs/dbraw/zinc/32/26/57/526322657.db2.gz	FCPMLRQSISMPEB-UHFFFAOYSA-N	0	2	329.824	5.469	40	30		EKEBLN
O=[N+]([O-])c1cc(NC(=S)SCc2ccccc2)ccc1Cl	ZINC000006575157	527325872	/nfs/dbraw/zinc/32/58/72/527325872.db2.gz	DFPAIPVNMHZNBS-UHFFFAOYSA-N	0	2	338.841	5.099	40	30		EKEBLN
O/N=C(\c1ccccc1)[C@@H](c1ccccc1)C(Cl)(Cl)Cl	ZINC000016955369	563826838	/nfs/dbraw/zinc/82/68/38/563826838.db2.gz	PUGNACWPMRGYOZ-DVDIPCOMSA-N	0	2	328.626	5.019	40	30		EKEBLN
O=C(/C=C\c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1O	ZINC000017313779	563842690	/nfs/dbraw/zinc/84/26/90/563842690.db2.gz	BKAQLPYRQWWKRT-DJWKRKHSSA-N	0	2	327.594	5.249	40	30		EKEBLN
O/N=C(\c1ccccc1)[C@H](c1ccccc1)C(Cl)(Cl)Cl	ZINC000017721404	563845434	/nfs/dbraw/zinc/84/54/34/563845434.db2.gz	PUGNACWPMRGYOZ-AZDDOORDSA-N	0	2	328.626	5.019	40	30		EKEBLN
C=C(C)[C@@H]1CCC(C)=C[C@H]1C1C(=O)C=C(CCCCC)C(=O)C1=O	ZINC000100015426	563982286	/nfs/dbraw/zinc/98/22/86/563982286.db2.gz	WDXXEUARVHTWQF-DLBZAZTESA-N	0	2	328.452	5.006	40	30	in-vitro	EKEBLN
CCCCCCCCCCCCc1ccc(C(=N\O)/C(C)=N/O)cc1	ZINC000100931335	219111587	/nfs/dbraw/zinc/11/15/87/219111587.db2.gz	ZXXBSRWHCLUSII-AECZSIAKSA-N	0	2	346.515	6.178	40	30		EKEBLN
CCCCCCCCCCC(=N\O)/C(=N/O)c1ccc(CC)cc1	ZINC000100931337	563982821	/nfs/dbraw/zinc/98/28/21/563982821.db2.gz	KQZCZJWORAAJDG-FLFKKZLDSA-N	0	2	332.488	5.788	40	30		EKEBLN
CCCCCCCCCCCCc1ccc(C(/C=N/O)=N\O)cc1	ZINC000100932723	563982860	/nfs/dbraw/zinc/98/28/60/563982860.db2.gz	TYIPFLYTYFSKIK-BYVORTCQSA-N	0	2	332.488	5.788	40	30		EKEBLN
O/N=C(/c1ccccc1)[C@H](c1ccccc1)C(Cl)(Cl)Cl	ZINC000104132278	204097257	/nfs/dbraw/zinc/09/72/57/204097257.db2.gz	PUGNACWPMRGYOZ-ISNHLSKGSA-N	0	2	328.626	5.019	40	30		EKEBLN
CCCCCCCCCCCCCCCCCc1n[nH]c(=S)o1	ZINC000104204643	563983534	/nfs/dbraw/zinc/98/35/34/563983534.db2.gz	VYELQOVVWRJRHQ-UHFFFAOYSA-N	0	2	340.577	7.146	40	30		EKEBLN
Cc1cc(/C=N/c2ccccc2S)c(C)n1-c1cccc(Cl)c1	ZINC000408753283	257889268	/nfs/dbraw/zinc/88/92/68/257889268.db2.gz	GCZDJPRRVYHQOB-CIAFOILYSA-N	0	2	340.879	5.787	40	30		EKEBLN
CCc1ccc(-n2c(C)cc(/C=N/c3ccccc3S)c2C)cc1	ZINC000408759693	563996534	/nfs/dbraw/zinc/99/65/34/563996534.db2.gz	JUOQJDPMGMKABS-HYARGMPZSA-N	0	2	334.488	5.696	40	30		EKEBLN
Cc1cc(/C=N/c2ccccc2S)c(C)n1-c1ccc(Cl)cc1	ZINC000408768210	564007155	/nfs/dbraw/zinc/00/71/55/564007155.db2.gz	CVMMBKJIXKYWLW-CIAFOILYSA-N	0	2	340.879	5.787	40	30		EKEBLN
Cc1ccccc1Oc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1	ZINC000409075315	564009399	/nfs/dbraw/zinc/00/93/99/564009399.db2.gz	QRWMDVQLLBFSMZ-FYJGNVAPSA-N	0	2	348.358	5.152	40	30		EKEBLN
Cc1ccc(Oc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2)cc1	ZINC000409087796	564009660	/nfs/dbraw/zinc/00/96/60/564009660.db2.gz	KABLFJVAJNFCOJ-FYJGNVAPSA-N	0	2	348.358	5.152	40	30		EKEBLN
Cc1ccc(Oc2ccc(/N=C/c3cccc([N+](=O)[O-])c3O)cc2)cc1	ZINC000409096037	564009835	/nfs/dbraw/zinc/00/98/35/564009835.db2.gz	JKVJJBQLGDZUGS-FYJGNVAPSA-N	0	2	348.358	5.152	40	30		EKEBLN
Cc1ccccc1Oc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	ZINC000409097740	563947743	/nfs/dbraw/zinc/94/77/43/563947743.db2.gz	NYFWXQPBKPURJA-FYJGNVAPSA-N	0	2	348.358	5.152	40	30		EKEBLN