smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2nc(-c3cc(Cl)c(O)c(Cl)c3)sc2c1	ZINC000000570146	563631343	/nfs/dbraw/zinc/63/13/43/563631343.db2.gz	BEHDFRBIKJVNGX-UHFFFAOYSA-N	0	2	310.205	5.284	40	0		DKABLN
Sc1ccc2ccccc2c1-c1c(S)ccc2ccccc21	ZINC000002572580	563309627	/nfs/dbraw/zinc/30/96/27/563309627.db2.gz	PQTIXYILPGIIHM-UHFFFAOYSA-N	0	2	318.466	6.237	40	0		DKABLN
CCN(CC)C(=S)S[C@@H](C)n1cccc1-c1ccccc1	ZINC000005452944	181245432	/nfs/dbraw/zinc/24/54/32/181245432.db2.gz	SGNXKDBLOHAFAH-AWEZNQCLSA-N	0	2	318.511	5.034	40	0		DKABLN
CCc1cccc(C)c1NC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000005477431	181247872	/nfs/dbraw/zinc/24/78/72/181247872.db2.gz	YYZRKMCXJSQVJK-UHFFFAOYSA-N	0	2	323.223	5.508	40	0		DKABLN
CCCCCCc1cc(-c2cc(CCCCCC)[nH]n2)n[nH]1	ZINC000005479258	181247889	/nfs/dbraw/zinc/24/78/89/181247889.db2.gz	ORLXMIXBEJYGTM-UHFFFAOYSA-N	0	2	302.466	5.045	40	0		DKABLN
CC(C)SC(=S)Nc1cc(Cl)c(Cl)cc1Cl	ZINC000005732967	181278737	/nfs/dbraw/zinc/27/87/37/181278737.db2.gz	JIUAJLIOEGENLK-UHFFFAOYSA-N	0	2	314.690	5.485	40	0		DKABLN
O=C1c2ccccc2S/C1=C/c1cc(Cl)c(O)c(Cl)c1	ZINC000006496332	563921521	/nfs/dbraw/zinc/92/15/21/563921521.db2.gz	BNMZDWRQQMULQK-NTUHNPAUSA-N	0	2	323.200	5.029	40	0		DKABLN
Fc1cccc(NC(=S)SCc2ccc(Cl)cc2)c1	ZINC000006511664	563332589	/nfs/dbraw/zinc/33/25/89/563332589.db2.gz	IRGFKHWNMIBMPL-UHFFFAOYSA-N	0	2	311.834	5.109	40	0		DKABLN
Cc1cc2sc(Nc3nc4ccccc4s3)nc2c(C)c1	ZINC000057352456	184034743	/nfs/dbraw/zinc/03/47/43/184034743.db2.gz	OZASXDXTESSSNZ-UHFFFAOYSA-N	0	2	311.435	5.266	40	0		DKABLN
Clc1ccc2nc(Nc3nc4ccccc4s3)sc2c1	ZINC000057352460	184034751	/nfs/dbraw/zinc/03/47/51/184034751.db2.gz	KZPYIJSJRSKTKC-UHFFFAOYSA-N	0	2	317.826	5.303	40	0		DKABLN
Clc1ccc2sc(Nc3nc4ccccc4s3)nc2c1	ZINC000057352461	184034863	/nfs/dbraw/zinc/03/48/63/184034863.db2.gz	UMZHMJZAEBLLIR-UHFFFAOYSA-N	0	2	317.826	5.303	40	0		DKABLN
Cc1ccc(C)c2sc(Nc3nc4ccccc4s3)nc21	ZINC000057352478	184034885	/nfs/dbraw/zinc/03/48/85/184034885.db2.gz	PKXLNYIXIPMJLZ-UHFFFAOYSA-N	0	2	311.435	5.266	40	0		DKABLN
Cc1ccc(-c2ccc(C(=O)Nc3ccccc3S)o2)cc1C	ZINC000107581260	563923342	/nfs/dbraw/zinc/92/33/42/563923342.db2.gz	PXHIUCHAADGGGU-UHFFFAOYSA-N	0	2	323.417	5.104	40	0		DKABLN
CCSc1ccccc1NC(=S)Nc1ccc(Cl)cc1	ZINC000225463978	563755856	/nfs/dbraw/zinc/75/58/56/563755856.db2.gz	ZHWLJCNAYNTPRW-UHFFFAOYSA-N	0	2	322.886	5.261	40	0		DKABLN
CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)OC	ZINC000256874843	202923124	/nfs/dbraw/zinc/92/31/24/202923124.db2.gz	OFIDNKMQBYGNIW-NRAUZEMASA-N	0	2	318.501	6.305	40	0		DKABLN
Oc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1Cl	ZINC000408612463	257229010	/nfs/dbraw/zinc/22/90/10/257229010.db2.gz	WDMNYOVXHJSEOQ-UHFFFAOYSA-N	0	2	320.578	5.104	40	0		DKABLN
Cc1c(Cl)cccc1NCc1cc(Cl)c(O)c(Cl)c1	ZINC000409110555	257223104	/nfs/dbraw/zinc/22/31/04/257223104.db2.gz	DZCKLRKRWBKVAG-UHFFFAOYSA-N	0	2	316.615	5.273	40	0		DKABLN
Cc1ccc(Cl)cc1NCc1cc(Cl)c(O)c(Cl)c1	ZINC000409111948	257222506	/nfs/dbraw/zinc/22/25/06/257222506.db2.gz	ATTVOGIWFYHVEY-UHFFFAOYSA-N	0	2	316.615	5.273	40	0		DKABLN
Cc1ccc(NCc2cc(Cl)c(O)c(Cl)c2)cc1Cl	ZINC000409121829	257222574	/nfs/dbraw/zinc/22/25/74/257222574.db2.gz	WUKWJGCLJPPFQD-UHFFFAOYSA-N	0	2	316.615	5.273	40	0		DKABLN