smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](S[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000073224599	581095431	/nfs/dbraw/zinc/09/54/31/581095431.db2.gz	YUDBOKPHDYWHTN-IQRFUGTFSA-N	-2	0	419.543	3.438	1	0		HGAFRL
COc1ccc(C([O-])=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000100404969	559134848	/nfs/dbraw/zinc/13/48/48/559134848.db2.gz	OBFUJJRACJXMEZ-PFONDFGASA-N	-2	0	417.215	3.010	2	0		HGAFRL
C[C@@H](S[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-]	ZINC000169726710	581095410	/nfs/dbraw/zinc/09/54/10/581095410.db2.gz	YUDBOKPHDYWHTN-RXABAKJHSA-N	-2	0	419.543	3.438	1	0		HGAFRL
CCN1C(C)=C(C(=O)NCC(C)C)[C@@H](c2ccccc2Cl)C(C(=O)[O-])=C1C(=O)[O-]	ZINC000013553491	581098313	/nfs/dbraw/zinc/09/83/13/581098313.db2.gz	JQMMQAASZINFJQ-MRXNPFEDSA-N	-2	0	420.893	3.229	1	0		HGAFRL
C[C@H](S[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000073224598	581095464	/nfs/dbraw/zinc/09/54/64/581095464.db2.gz	YUDBOKPHDYWHTN-HXFGRODQSA-N	-2	0	419.543	3.438	1	0		HGAFRL
C[C@H](S[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-]	ZINC000254194432	581095491	/nfs/dbraw/zinc/09/54/91/581095491.db2.gz	YUDBOKPHDYWHTN-BHNDVYRESA-N	-2	0	419.543	3.438	1	0		HGAFRL
COc1ccc(C([O-])=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000100404966	559134882	/nfs/dbraw/zinc/13/48/82/559134882.db2.gz	OBFUJJRACJXMEZ-CCEZHUSRSA-N	-2	0	417.215	3.010	2	0		HGAFRL
C[C@@H](S[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-]	ZINC000169726707	581095415	/nfs/dbraw/zinc/09/54/15/581095415.db2.gz	YUDBOKPHDYWHTN-DBDQLMEASA-N	-2	0	419.543	3.438	1	0		HGAFRL
C[C@H](S[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@H]21	ZINC000028755651	581095456	/nfs/dbraw/zinc/09/54/56/581095456.db2.gz	YUDBOKPHDYWHTN-IJCBKZNRSA-N	-2	0	419.543	3.438	1	0		HGAFRL
C[C@H](S[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-]	ZINC000169726712	581095459	/nfs/dbraw/zinc/09/54/59/581095459.db2.gz	YUDBOKPHDYWHTN-SXXASDTRSA-N	-2	0	419.543	3.438	1	0		HGAFRL
C[C@H](S[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000254194434	581095448	/nfs/dbraw/zinc/09/54/48/581095448.db2.gz	YUDBOKPHDYWHTN-XFUTXVRSSA-N	-2	0	419.543	3.438	1	0		HGAFRL
C[C@H](S[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000073224600	581095487	/nfs/dbraw/zinc/09/54/87/581095487.db2.gz	YUDBOKPHDYWHTN-GBBGEASQSA-N	-2	0	419.543	3.438	1	0		HGAFRL
C[C@@H](S[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@H]21	ZINC000028755649	581095474	/nfs/dbraw/zinc/09/54/74/581095474.db2.gz	YUDBOKPHDYWHTN-SJQORLFUSA-N	-2	0	419.543	3.438	1	0		HGAFRL
C[C@H](S[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-]	ZINC000169726709	581095449	/nfs/dbraw/zinc/09/54/49/581095449.db2.gz	YUDBOKPHDYWHTN-DZRGKWQISA-N	-2	0	419.543	3.438	1	0		HGAFRL
C[C@@H](S[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000073224601	581095505	/nfs/dbraw/zinc/09/55/05/581095505.db2.gz	YUDBOKPHDYWHTN-RFZNHBKKSA-N	-2	0	419.543	3.438	1	0		HGAFRL
CCN1C(C)=C(C(=O)NCC(C)C)[C@H](c2ccccc2Cl)C(C(=O)[O-])=C1C(=O)[O-]	ZINC000013553492	581098292	/nfs/dbraw/zinc/09/82/92/581098292.db2.gz	JQMMQAASZINFJQ-INIZCTEOSA-N	-2	0	420.893	3.229	1	0		HGAFRL
C[C@H](S[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000254194436	581095529	/nfs/dbraw/zinc/09/55/29/581095529.db2.gz	YUDBOKPHDYWHTN-YCVVXREPSA-N	-2	0	419.543	3.438	1	0		HGAFRL