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(OC2CC[NH+](C)CC2)cc1	ZINC000217028094	570311878	/nfs/dbraw/zinc/31/18/78/570311878.db2.gz	JSLQOWMHZRVBNV-JOCHJYFZSA-N	1	0	396.531	4.573	40	70		GJIBRO
CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217028537	570311986	/nfs/dbraw/zinc/31/19/86/570311986.db2.gz	OAWCVTWFTKYJHH-QFIPXVFZSA-N	1	0	396.531	4.573	40	70		GJIBRO
CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217027113	570312088	/nfs/dbraw/zinc/31/20/88/570312088.db2.gz	KZZLQINWZPALKT-HSZRJFAPSA-N	1	0	396.531	4.573	40	70		GJIBRO
Cc1cc(C)cc(CSCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000216928657	570309580	/nfs/dbraw/zinc/30/95/80/570309580.db2.gz	OJKWZJGOGJAEBT-UHFFFAOYSA-N	1	0	398.572	4.648	40	70		GJIBRO
C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)C1	ZINC000216915675	570309591	/nfs/dbraw/zinc/30/95/91/570309591.db2.gz	MGGLJGPAUQRUFH-SFHVURJKSA-N	1	0	393.531	4.517	40	70		GJIBRO
COc1ccccc1Oc1ccc(Cl)cc1NC(=O)CC1CC[NH+](C)CC1	ZINC000216904387	570309048	/nfs/dbraw/zinc/30/90/48/570309048.db2.gz	NNZGMTPIFLQYNP-UHFFFAOYSA-N	1	0	388.895	4.811	40	70		GJIBRO
CC(C)c1ccc(CCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217031530	570311928	/nfs/dbraw/zinc/31/19/28/570311928.db2.gz	SMOIJYYVELBZNI-UHFFFAOYSA-N	1	0	380.532	4.854	40	70		GJIBRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)C1	ZINC000216915650	570309470	/nfs/dbraw/zinc/30/94/70/570309470.db2.gz	MGGLJGPAUQRUFH-GOSISDBHSA-N	1	0	393.531	4.517	40	70		GJIBRO
Cc1ccc(SCCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216930861	211745808	/nfs/dbraw/zinc/74/58/08/211745808.db2.gz	LBALETUZHDKESG-UHFFFAOYSA-N	1	0	384.545	4.589	40	70		GJIBRO
C[NH+]1CCC(CCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)CC1	ZINC000216929650	570309570	/nfs/dbraw/zinc/30/95/70/570309570.db2.gz	FXEOZGWQAOMMLR-HEHNFIMWSA-N	1	0	382.935	4.729	40	70		GJIBRO
CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217027153	570311912	/nfs/dbraw/zinc/31/19/12/570311912.db2.gz	KZZLQINWZPALKT-QHCPKHFHSA-N	1	0	396.531	4.573	40	70		GJIBRO
C[NH+]1CCC(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)CC1	ZINC000216923178	570309657	/nfs/dbraw/zinc/30/96/57/570309657.db2.gz	HMDWXFYSXQCECO-UHFFFAOYSA-N	1	0	393.531	4.517	40	70		GJIBRO
CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217024034	570311436	/nfs/dbraw/zinc/31/14/36/570311436.db2.gz	WTSANJQRIVGFPU-SFHVURJKSA-N	1	0	396.531	4.689	40	70		GJIBRO
CC(C)Sc1ccccc1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217037009	570312407	/nfs/dbraw/zinc/31/24/07/570312407.db2.gz	QKGIFKAXFSTLTJ-UHFFFAOYSA-N	1	0	384.545	4.912	40	70		GJIBRO
C[NH+]1CCC(Oc2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)CC1	ZINC000216927928	570309353	/nfs/dbraw/zinc/30/93/53/570309353.db2.gz	KZMLVDCDVQDJJL-UHFFFAOYSA-N	1	0	390.936	4.544	40	70		GJIBRO
CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217028497	570312042	/nfs/dbraw/zinc/31/20/42/570312042.db2.gz	OAWCVTWFTKYJHH-JOCHJYFZSA-N	1	0	396.531	4.573	40	70		GJIBRO
CC(C)c1ccc(CCC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217031587	570311894	/nfs/dbraw/zinc/31/18/94/570311894.db2.gz	VUKJEZMMOQEUAF-UHFFFAOYSA-N	1	0	394.559	4.532	40	70		GJIBRO
CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217024078	570311586	/nfs/dbraw/zinc/31/15/86/570311586.db2.gz	WTSANJQRIVGFPU-GOSISDBHSA-N	1	0	396.531	4.689	40	70		GJIBRO
CC(C)Sc1ccccc1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217037067	570312389	/nfs/dbraw/zinc/31/23/89/570312389.db2.gz	FIHDYPHIKRFDPV-UHFFFAOYSA-N	1	0	398.572	4.590	40	70		GJIBRO
CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217028135	570312112	/nfs/dbraw/zinc/31/21/12/570312112.db2.gz	JSLQOWMHZRVBNV-QFIPXVFZSA-N	1	0	396.531	4.573	40	70		GJIBRO
C[NH+]1CCC(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)CC1	ZINC000216902431	222578938	/nfs/dbraw/zinc/57/89/38/222578938.db2.gz	VLCKIFHGIPSNLK-UHFFFAOYSA-N	1	0	392.543	4.886	40	70		GJIBRO
Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216930649	570309419	/nfs/dbraw/zinc/30/94/19/570309419.db2.gz	AGYGWJFXTKNDAC-KRWDZBQOSA-N	1	0	384.545	4.587	40	70		GJIBRO
Cc1ccc(SCc2ccc(C(=O)NCCC3CC[NH+](C)CC3)cc2)cc1	ZINC000216931875	208825436	/nfs/dbraw/zinc/82/54/36/208825436.db2.gz	TWQOBOAJVDIPKD-UHFFFAOYSA-N	1	0	382.573	4.749	40	70		GJIBRO
Cc1ccc(S[C@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216930671	570309514	/nfs/dbraw/zinc/30/95/14/570309514.db2.gz	AGYGWJFXTKNDAC-QGZVFWFLSA-N	1	0	384.545	4.587	40	70		GJIBRO