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)(C)c1ccc(-c2noc(-c3cccs3)n2)cc1	ZINC000216670238	189705721	/nfs/dbraw/zinc/70/57/21/189705721.db2.gz	WKCVEPLEERRSRC-UHFFFAOYSA-N	0	0	284.384	4.763	40	70		CJIBRN
Cc1ccccc1Cn1ccc(-c2cc3ccccc3o2)n1	ZINC000216689301	189705757	/nfs/dbraw/zinc/70/57/57/189705757.db2.gz	CETJOOMGWSCEHB-UHFFFAOYSA-N	0	0	288.350	4.653	40	70		CJIBRN
Cc1ccccc1-c1cc(-c2cc3ccccc3o2)n[nH]1	ZINC000216695860	570306152	/nfs/dbraw/zinc/30/61/52/570306152.db2.gz	SCVMOTKYOJGDDB-UHFFFAOYSA-N	0	0	274.323	4.798	40	70		CJIBRN
Cc1cccc(-c2cc(-c3cc4ccccc4o3)n[nH]2)c1	ZINC000216695928	570306200	/nfs/dbraw/zinc/30/62/00/570306200.db2.gz	FSOKQSHHGPYYOU-UHFFFAOYSA-N	0	0	274.323	4.798	40	70		CJIBRN
Cc1ccc(-c2cc(-c3cc4ccccc4o3)n[nH]2)cc1	ZINC000216695990	570306166	/nfs/dbraw/zinc/30/61/66/570306166.db2.gz	SEBWTXWXNGQFKP-UHFFFAOYSA-N	0	0	274.323	4.798	40	70		CJIBRN
CCc1ccc(-c2cc(-c3cccs3)on2)cc1	ZINC000216697467	570306198	/nfs/dbraw/zinc/30/61/98/570306198.db2.gz	ZSBZRPVMQUPCKU-UHFFFAOYSA-N	0	0	255.342	4.633	40	70		CJIBRN
CC(C)(C)c1ccc(-c2cc(-c3ccco3)on2)cc1	ZINC000216698023	570306156	/nfs/dbraw/zinc/30/61/56/570306156.db2.gz	NJIWNCGBYLMCBW-UHFFFAOYSA-N	0	0	267.328	4.899	40	70		CJIBRN
CC(C)c1ccc(-c2cc(-c3ccco3)on2)cc1	ZINC000216698163	570306196	/nfs/dbraw/zinc/30/61/96/570306196.db2.gz	VSFVFRMRHCRDIG-UHFFFAOYSA-N	0	0	253.301	4.725	40	70		CJIBRN
COc1ccccc1-c1cc(-c2cc3ccccc3o2)on1	ZINC000216698552	570306219	/nfs/dbraw/zinc/30/62/19/570306219.db2.gz	BUVJQDQIYBEXEI-UHFFFAOYSA-N	0	0	291.306	4.763	40	70		CJIBRN
COc1ccc(-c2cc(-c3cc4ccccc4o3)on2)cc1	ZINC000216698618	189706086	/nfs/dbraw/zinc/70/60/86/189706086.db2.gz	OOGCNSBQAYDCNN-UHFFFAOYSA-N	0	0	291.306	4.763	40	70		CJIBRN
CC(C)(C)c1ccc(-c2cc(-c3cccnc3)on2)cc1	ZINC000216699232	570306157	/nfs/dbraw/zinc/30/61/57/570306157.db2.gz	CAZQGHRVIOUJKV-UHFFFAOYSA-N	0	0	278.355	4.701	40	70		CJIBRN
CC(C)c1ccc(-c2cc(-c3cccnc3)on2)cc1	ZINC000216699373	189706444	/nfs/dbraw/zinc/70/64/44/189706444.db2.gz	CDZVZMPFEYCMCU-UHFFFAOYSA-N	0	0	264.328	4.527	40	70		CJIBRN
Nc1nc2ccc(Oc3cccc4ccccc43)cc2s1	ZINC000216780615	189706567	/nfs/dbraw/zinc/70/65/67/189706567.db2.gz	PSBUGUVXXAABPQ-UHFFFAOYSA-N	0	0	292.363	4.824	40	70		CJIBRN
COc1ccccc1NC(=O)Nc1c(C)cccc1C(C)C	ZINC000217267975	570307538	/nfs/dbraw/zinc/30/75/38/570307538.db2.gz	PUXZWCAWLXSMQH-UHFFFAOYSA-N	0	0	298.386	4.771	40	70		CJIBRN
S=C(NCc1ccccc1)[C@@]12C[C@@H]3CC(C[C@@H](C3)C1)CC2	ZINC000217484762	189710529	/nfs/dbraw/zinc/71/05/29/189710529.db2.gz	MCUMVHBBSIMRNS-VVXSQCBMSA-N	0	0	299.483	4.710	40	70		CJIBRN
CC[C@H](NC(=O)/C=C/c1ccccc1)c1ccc(C)c(C)c1	ZINC000217885358	189712480	/nfs/dbraw/zinc/71/24/80/189712480.db2.gz	UPYNYWKNQPPMIV-BPOBUFBUSA-N	0	0	293.410	4.584	40	70		CJIBRN
CC[C@@H](NC(=O)/C=C/c1ccccc1)c1ccc(C)cc1C	ZINC000217885446	189712485	/nfs/dbraw/zinc/71/24/85/189712485.db2.gz	NDPZPSXVKUGEBZ-XSSIKURBSA-N	0	0	293.410	4.584	40	70		CJIBRN
CC[C@@H](NC(=O)CCc1ccccc1)c1ccc(C)c(C)c1	ZINC000218173085	570308549	/nfs/dbraw/zinc/30/85/49/570308549.db2.gz	DJYFIZIDYABLCT-LJQANCHMSA-N	0	0	295.426	4.504	40	70		CJIBRN
CC[C@H](NC(=O)CCc1ccccc1)c1ccc(C)c(C)c1	ZINC000218173152	570308564	/nfs/dbraw/zinc/30/85/64/570308564.db2.gz	DJYFIZIDYABLCT-IBGZPJMESA-N	0	0	295.426	4.504	40	70		CJIBRN
CC[C@@H](NC(=O)CCc1ccccc1)c1ccc(C)cc1C	ZINC000218173245	570308606	/nfs/dbraw/zinc/30/86/06/570308606.db2.gz	GWUJBTGYKYATQV-LJQANCHMSA-N	0	0	295.426	4.504	40	70		CJIBRN
CC[C@H](NC(=O)CCc1ccccc1)c1ccc(C)cc1C	ZINC000218173322	570308610	/nfs/dbraw/zinc/30/86/10/570308610.db2.gz	GWUJBTGYKYATQV-IBGZPJMESA-N	0	0	295.426	4.504	40	70		CJIBRN
CSc1ccccc1C(=O)N[C@@H](C)c1ccc(C)c(C)c1	ZINC000218193485	570308685	/nfs/dbraw/zinc/30/86/85/570308685.db2.gz	NEAQAIJFRSCXPQ-AWEZNQCLSA-N	0	0	299.439	4.516	40	70		CJIBRN
CSc1ccccc1C(=O)N[C@H](C)c1ccc(C)c(C)c1	ZINC000218193558	570308497	/nfs/dbraw/zinc/30/84/97/570308497.db2.gz	NEAQAIJFRSCXPQ-CQSZACIVSA-N	0	0	299.439	4.516	40	70		CJIBRN