smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)[O-]	ZINC000005273576	556043282	/nfs/dbraw/zinc/04/32/82/556043282.db2.gz	QVOBNSFUVPLVPE-ROUUACIJSA-N	-1	1	426.473	-0.399	40	0		IBABMM
N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)[O-]	ZINC000005273577	556043302	/nfs/dbraw/zinc/04/33/02/556043302.db2.gz	QVOBNSFUVPLVPE-MSOLQXFVSA-N	-1	1	426.473	-0.399	40	0		IBABMM
N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)[O-]	ZINC000005273578	556043318	/nfs/dbraw/zinc/04/33/18/556043318.db2.gz	QVOBNSFUVPLVPE-ZWKOTPCHSA-N	-1	1	426.473	-0.399	40	0		IBABMM
N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)[O-]	ZINC000005273579	556043268	/nfs/dbraw/zinc/04/32/68/556043268.db2.gz	QVOBNSFUVPLVPE-QZTJIDSGSA-N	-1	1	426.473	-0.399	40	0		IBABMM
COC(=O)c1nc(NN)[n-]c(=O)c1CCCCCc1c(=O)cc(NN)[nH]c1C(=O)OC	ZINC000008653112	556196977	/nfs/dbraw/zinc/19/69/77/556196977.db2.gz	HBBHAWLUUVGSTL-UHFFFAOYSA-N	-1	1	435.441	-0.442	40	0		IBABMM
N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000013538065	556513561	/nfs/dbraw/zinc/51/35/61/556513561.db2.gz	GYNQVPIDAQTZOY-ROUUACIJSA-N	-1	1	442.472	-0.694	40	0		IBABMM
NS(=O)(=O)c1ccc(C(=S)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1	ZINC000019594446	556830367	/nfs/dbraw/zinc/83/03/67/556830367.db2.gz	YQCHOBKSZKGPKP-ZDUSSCGKSA-N	-1	1	425.492	-0.476	40	0		IBABMM
NS(=O)(=O)c1ccc(C(=S)NCCC(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1	ZINC000019594448	556830393	/nfs/dbraw/zinc/83/03/93/556830393.db2.gz	YQCHOBKSZKGPKP-CYBMUJFWSA-N	-1	1	425.492	-0.476	40	0		IBABMM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)O[C@@H](C(C)(C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C3	ZINC000035454967	526135412	/nfs/dbraw/zinc/13/54/12/526135412.db2.gz	KHWKLNXMSVVKCH-QSZLYVTFSA-N	-1	1	438.429	-0.294	40	0	biogenic,in-vitro	IBABMM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)O[C@H](C(C)(C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C3	ZINC000035454969	526135021	/nfs/dbraw/zinc/13/50/21/526135021.db2.gz	KHWKLNXMSVVKCH-JFDWIMJISA-N	-1	1	438.429	-0.294	40	0	biogenic,in-vitro	IBABMM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)O[C@@H](C(C)(C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C3	ZINC000035454973	526134467	/nfs/dbraw/zinc/13/44/67/526134467.db2.gz	KHWKLNXMSVVKCH-YRBSRBFQSA-N	-1	1	438.429	-0.294	40	0	biogenic,in-vitro	IBABMM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)O[C@H](C(C)(C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C3	ZINC000035454976	526134682	/nfs/dbraw/zinc/13/46/82/526134682.db2.gz	KHWKLNXMSVVKCH-NQYOZRFVSA-N	-1	1	438.429	-0.294	40	0	biogenic,in-vitro	IBABMM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3	ZINC000038940718	291307390	/nfs/dbraw/zinc/30/73/90/291307390.db2.gz	QVUPQEXKTXSMKX-JJDILSOYSA-N	-1	1	438.429	-0.294	40	0	biogenic,in-vitro	IBABMM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3	ZINC000038940718	291307387	/nfs/dbraw/zinc/30/73/87/291307387.db2.gz	QVUPQEXKTXSMKX-JJDILSOYSA-N	-1	1	438.429	-0.294	40	0	biogenic,in-vitro	IBABMM
O=c1[nH]cc(S(=O)(=O)[N-]CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(=O)[nH]1	ZINC000223284378	557455707	/nfs/dbraw/zinc/45/57/07/557455707.db2.gz	LNNQDIYWSJUEAL-UHFFFAOYSA-N	-1	1	428.492	-0.631	40	0		IBABMM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]CCc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000223285762	193962796	/nfs/dbraw/zinc/96/27/96/193962796.db2.gz	DLGZNHYWTGXIJT-UHFFFAOYSA-N	-1	1	442.519	-0.323	40	0		IBABMM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)O[C@@H](C(C)(C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C3	ZINC000253500744	560039012	/nfs/dbraw/zinc/03/90/12/560039012.db2.gz	KHWKLNXMSVVKCH-GCPNWKPMSA-N	-1	1	438.429	-0.294	40	0	biogenic,in-vitro	IBABMM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)O[C@H](C(C)(C)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C3	ZINC000253500746	560039028	/nfs/dbraw/zinc/03/90/28/560039028.db2.gz	KHWKLNXMSVVKCH-GTWBZJPCSA-N	-1	1	438.429	-0.294	40	0	biogenic,in-vitro	IBABMM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)O[C@H](C(C)(C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C3	ZINC000253500748	560039023	/nfs/dbraw/zinc/03/90/23/560039023.db2.gz	KHWKLNXMSVVKCH-IWUPOPMTSA-N	-1	1	438.429	-0.294	40	0	biogenic,in-vitro	IBABMM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)O[C@@H](C(C)(C)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C3	ZINC000253500750	560039018	/nfs/dbraw/zinc/03/90/18/560039018.db2.gz	KHWKLNXMSVVKCH-SQJYZKEISA-N	-1	1	438.429	-0.294	40	0	biogenic,in-vitro	IBABMM