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)CCc1cc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)n[nH]1	ZINC000217805601	548683348	/nfs/dbraw/zinc/68/33/48/548683348.db2.gz	HIZPKVGAXSWZRF-LSDHHAIUSA-N	0	1	354.454	2.420	40	70		FEIBMN
CCCNC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1	ZINC000217594704	519897035	/nfs/dbraw/zinc/89/70/35/519897035.db2.gz	TWPQSLJVCRVKOF-FCEWJHQRSA-N	0	1	357.498	2.150	40	70		FEIBMN
Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1S(=O)(=O)N1CCCC1	ZINC000216914009	548679183	/nfs/dbraw/zinc/67/91/83/548679183.db2.gz	HAXNRDKUEHOKTF-HNNXBMFYSA-N	0	1	365.499	2.060	40	70		FEIBMN
C[N@H+]1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1	ZINC000216906741	548679025	/nfs/dbraw/zinc/67/90/25/548679025.db2.gz	GRDNELWSPJZQLE-HNNXBMFYSA-N	0	1	365.499	2.142	40	70		FEIBMN
Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1S(=O)(=O)N1CCCC1	ZINC000216913982	548679287	/nfs/dbraw/zinc/67/92/87/548679287.db2.gz	HAXNRDKUEHOKTF-OAHLLOKOSA-N	0	1	365.499	2.060	40	70		FEIBMN
O=C(c1cc(-c2ccccc2)[nH]n1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217959636	222676170	/nfs/dbraw/zinc/67/61/70/222676170.db2.gz	YGCYSSYTXXZIQW-GOEBONIOSA-N	0	1	360.417	2.498	40	70		FEIBMN
O=c1cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c2ccc([O-])cc2o1	ZINC000217559598	548682562	/nfs/dbraw/zinc/68/25/62/548682562.db2.gz	DQWGUKCFDDPOQF-DZGCQCFKSA-N	0	1	364.401	2.280	40	70		FEIBMN
O=c1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c2ccc([O-])cc2o1	ZINC000217559598	548682569	/nfs/dbraw/zinc/68/25/69/548682569.db2.gz	DQWGUKCFDDPOQF-DZGCQCFKSA-N	0	1	364.401	2.280	40	70		FEIBMN
C[C@H]1CN(C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)C[C@H](C)O1	ZINC000217446578	568184334	/nfs/dbraw/zinc/18/43/34/568184334.db2.gz	AGRFRTKLCPEWTJ-SWMMZTDWSA-N	0	1	363.498	2.381	40	70		FEIBMN