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@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1	ZINC000217028094	570311883	/nfs/dbraw/zinc/31/18/83/570311883.db2.gz	JSLQOWMHZRVBNV-JOCHJYFZSA-N	0	3	396.531	4.573	40	70		GJIBHN
CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1	ZINC000217028537	570311989	/nfs/dbraw/zinc/31/19/89/570311989.db2.gz	OAWCVTWFTKYJHH-QFIPXVFZSA-N	0	3	396.531	4.573	40	70		GJIBHN
CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1	ZINC000217027113	570312091	/nfs/dbraw/zinc/31/20/91/570312091.db2.gz	KZZLQINWZPALKT-HSZRJFAPSA-N	0	3	396.531	4.573	40	70		GJIBHN
Cc1cc(C)cc(CSCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1	ZINC000216928657	570309583	/nfs/dbraw/zinc/30/95/83/570309583.db2.gz	OJKWZJGOGJAEBT-UHFFFAOYSA-N	0	3	398.572	4.648	40	70		GJIBHN
COc1ccccc1Oc1ccc(Cl)cc1NC(=O)CC1CCN(C)CC1	ZINC000216904387	570309050	/nfs/dbraw/zinc/30/90/50/570309050.db2.gz	NNZGMTPIFLQYNP-UHFFFAOYSA-N	0	3	388.895	4.811	40	70		GJIBHN
CC(C)c1ccc(CCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1	ZINC000217031530	570311932	/nfs/dbraw/zinc/31/19/32/570311932.db2.gz	SMOIJYYVELBZNI-UHFFFAOYSA-N	0	3	380.532	4.854	40	70		GJIBHN
Cc1ccc(SCCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1	ZINC000216930861	211745815	/nfs/dbraw/zinc/74/58/15/211745815.db2.gz	LBALETUZHDKESG-UHFFFAOYSA-N	0	3	384.545	4.589	40	70		GJIBHN
CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1	ZINC000217027153	570311914	/nfs/dbraw/zinc/31/19/14/570311914.db2.gz	KZZLQINWZPALKT-QHCPKHFHSA-N	0	3	396.531	4.573	40	70		GJIBHN
CN1CCC(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)CC1	ZINC000216923178	570309659	/nfs/dbraw/zinc/30/96/59/570309659.db2.gz	HMDWXFYSXQCECO-UHFFFAOYSA-N	0	3	393.531	4.517	40	70		GJIBHN
CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1	ZINC000217024034	570311438	/nfs/dbraw/zinc/31/14/38/570311438.db2.gz	WTSANJQRIVGFPU-SFHVURJKSA-N	0	3	396.531	4.689	40	70		GJIBHN
CC(C)Sc1ccccc1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1	ZINC000217037009	570312411	/nfs/dbraw/zinc/31/24/11/570312411.db2.gz	QKGIFKAXFSTLTJ-UHFFFAOYSA-N	0	3	384.545	4.912	40	70		GJIBHN
CN1CCC(Oc2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)CC1	ZINC000216927928	570309355	/nfs/dbraw/zinc/30/93/55/570309355.db2.gz	KZMLVDCDVQDJJL-UHFFFAOYSA-N	0	3	390.936	4.544	40	70		GJIBHN
CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1	ZINC000217028497	570312045	/nfs/dbraw/zinc/31/20/45/570312045.db2.gz	OAWCVTWFTKYJHH-JOCHJYFZSA-N	0	3	396.531	4.573	40	70		GJIBHN
CC(C)c1ccc(CCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1	ZINC000217031587	570311898	/nfs/dbraw/zinc/31/18/98/570311898.db2.gz	VUKJEZMMOQEUAF-UHFFFAOYSA-N	0	3	394.559	4.532	40	70		GJIBHN
CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1	ZINC000217024078	570311588	/nfs/dbraw/zinc/31/15/88/570311588.db2.gz	WTSANJQRIVGFPU-GOSISDBHSA-N	0	3	396.531	4.689	40	70		GJIBHN
CC(C)Sc1ccccc1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	ZINC000217037067	570312393	/nfs/dbraw/zinc/31/23/93/570312393.db2.gz	FIHDYPHIKRFDPV-UHFFFAOYSA-N	0	3	398.572	4.590	40	70		GJIBHN
CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1	ZINC000217028135	570312115	/nfs/dbraw/zinc/31/21/15/570312115.db2.gz	JSLQOWMHZRVBNV-QFIPXVFZSA-N	0	3	396.531	4.573	40	70		GJIBHN
CN1CCC(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)CC1	ZINC000216902431	222578944	/nfs/dbraw/zinc/57/89/44/222578944.db2.gz	VLCKIFHGIPSNLK-UHFFFAOYSA-N	0	3	392.543	4.886	40	70		GJIBHN
Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1	ZINC000216930649	570309423	/nfs/dbraw/zinc/30/94/23/570309423.db2.gz	AGYGWJFXTKNDAC-KRWDZBQOSA-N	0	3	384.545	4.587	40	70		GJIBHN
Cc1ccc(S[C@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1	ZINC000216930671	570309518	/nfs/dbraw/zinc/30/95/18/570309518.db2.gz	AGYGWJFXTKNDAC-QGZVFWFLSA-N	0	3	384.545	4.587	40	70		GJIBHN