smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(/C=N/N(C)S(=O)(=O)c2ccc(C)cc2)cc1C[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000020368019	553643578	/nfs/dbraw/zinc/64/35/78/553643578.db2.gz	DSKCWHUZXAPPRO-VUTHCHCSSA-N	1	1	510.635	4.120	10	30		KIEEMO
O=[N+]([O-])c1ccc([N-][NH+]=Cc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c([N+](=O)[O-])c2)c(S(=O)(=O)N2CCCCC2)c1	ZINC000029492223	553845717	/nfs/dbraw/zinc/84/57/17/553845717.db2.gz	OVEMPLHTJSSRKO-MWAVMZGNSA-N	1	1	607.693	4.446	10	30		KIEEMO
CC[C@]12CN3C[C@@H](C[C@](C(=O)OC)(c4cc5c(cc4OC)N(C)[C@@H]4[C@]56CC[N@H+]5CC=C[C@](CC)([C@H]56)[C@@H](OC(C)=O)[C@]4(O)C(=O)OC)c4[nH]c5ccccc5c4CC3)[C@H]1O2	ZINC000094307036	553696662	/nfs/dbraw/zinc/69/66/62/553696662.db2.gz	LPGWZGMPDKDHEP-HLTPFJCJSA-N	1	1	808.973	4.007	10	30	biogenic,in-man	KIEEMO
CC[C@]12CN3C[C@@H](C[C@](C(=O)OC)(c4cc5c(cc4OC)N(C)[C@@H]4[C@]56CC[N@@H+]5CC=C[C@](CC)([C@H]56)[C@@H](OC(C)=O)[C@]4(O)C(=O)OC)c4[nH]c5ccccc5c4CC3)[C@H]1O2	ZINC000094307036	553696658	/nfs/dbraw/zinc/69/66/58/553696658.db2.gz	LPGWZGMPDKDHEP-HLTPFJCJSA-N	1	1	808.973	4.007	10	30	biogenic,in-man	KIEEMO
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)CCCC1	ZINC000140627433	717151799	/nfs/dbraw/zinc/15/17/99/717151799.db2.gz	VTDXVFMLLBDIRR-OOJCLDBCSA-N	1	1	529.786	4.408	10	30		KIEEMO