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)SC(=S)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000005732969	181278839	/nfs/dbraw/zinc/27/88/39/181278839.db2.gz	VOBWPZBIITUYOB-UHFFFAOYSA-N	0	2	313.797	5.418	40	30		DKEBLN
Cc1ccc(NC(=S)SCc2ccc(Cl)cc2)cc1C	ZINC000006488086	525965751	/nfs/dbraw/zinc/96/57/51/525965751.db2.gz	IBWUQKSHLHMAQE-UHFFFAOYSA-N	0	2	321.898	5.808	40	30		DKEBLN
COc1ccc(CSC(=S)Nc2ccc(C)c(C)c2)cc1	ZINC000006488088	524121993	/nfs/dbraw/zinc/12/19/93/524121993.db2.gz	KESFAWNJALUPAF-UHFFFAOYSA-N	0	2	317.479	5.163	40	30		DKEBLN
COc1ccc(C(=O)C=C(C)Nc2ccccc2C(C)C)cc1	ZINC000032100359	182634905	/nfs/dbraw/zinc/63/49/05/182634905.db2.gz	TZQCEZYPKPSUKE-FYWRMAATSA-N	0	2	309.409	5.017	40	30		DKEBLN
Sc1ccccc1/N=C/c1cccn1-c1ccc(Cl)cc1	ZINC000059302007	563771587	/nfs/dbraw/zinc/77/15/87/563771587.db2.gz	FXMJISGBLAGXST-XDHOZWIPSA-N	0	2	312.825	5.170	40	30		DKEBLN
CCCCCCCCCCc1ccc(C(/C=N/O)=N\O)cc1	ZINC000100931333	563554211	/nfs/dbraw/zinc/55/42/11/563554211.db2.gz	QHWVWJPPJNIOID-SAPQGIEZSA-N	0	2	304.434	5.008	40	30		DKEBLN
CCCCCCCCCCC(=N\O)/C(=N/O)c1ccc(C)cc1	ZINC000100932730	563554666	/nfs/dbraw/zinc/55/46/66/563554666.db2.gz	NLHPJYZAWZXOGC-FRCMOREXSA-N	0	2	318.461	5.534	40	30		DKEBLN
CCCCCCCCCCc1ccc(C(=N/O)/C(C)=N\O)cc1	ZINC000100934038	563554728	/nfs/dbraw/zinc/55/47/28/563554728.db2.gz	YPJXRCDTVNWBNR-SSZLYDSASA-N	0	2	318.461	5.398	40	30		DKEBLN
CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccccc2S)C1	ZINC000408563965	257229785	/nfs/dbraw/zinc/22/97/85/257229785.db2.gz	SYFXCLLOULZUSN-FNDVETGQSA-N	0	2	303.471	5.077	40	30		DKEBLN
CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccccc2S)C1	ZINC000408563969	257229607	/nfs/dbraw/zinc/22/96/07/257229607.db2.gz	SYFXCLLOULZUSN-XTZCOPOCSA-N	0	2	303.471	5.077	40	30		DKEBLN
Cc1cc(/C=N/c2ccccc2S)c(C)n1-c1cccc(C)c1	ZINC000408759354	257226625	/nfs/dbraw/zinc/22/66/25/257226625.db2.gz	CPEDFQAHXHOCOT-FYJGNVAPSA-N	0	2	320.461	5.442	40	30		DKEBLN
Cc1cc(/C=N/c2ccccc2S)c(C)n1-c1ccccc1	ZINC000408776157	257226906	/nfs/dbraw/zinc/22/69/06/257226906.db2.gz	MSJUYQGAKZLGSM-DEDYPNTBSA-N	0	2	306.434	5.133	40	30		DKEBLN
Cc1cc(/C=N/c2ccccc2S)c(C)n1-c1ccc(F)cc1	ZINC000408784620	257226885	/nfs/dbraw/zinc/22/68/85/257226885.db2.gz	VFCZJOVLRJCICE-CIAFOILYSA-N	0	2	324.424	5.273	40	30		DKEBLN
O=[N+]([O-])c1cc(/C=N/c2ccc(C3CCCCC3)cc2)ccc1O	ZINC000408905171	257226058	/nfs/dbraw/zinc/22/60/58/257226058.db2.gz	UORAZMHIZDITLB-DEDYPNTBSA-N	0	2	324.380	5.099	40	30		DKEBLN