smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)[C@@H]1C(=O)C(C(=O)NCNc2cccc(C(=O)[O-])c2C(=O)[O-])=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000004430818	552460966	/nfs/dbraw/zinc/46/09/66/552460966.db2.gz	GDFMZNWMFGDDBZ-DWJSTKRGSA-N	-4	3	637.598	0.883	40	30		KCEBHL
O=C1c2cc(S(=O)(=O)[O-])ccc2[N-]C1=C1[N-]c2c(cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])C1=O	ZINC000006943716	552980134	/nfs/dbraw/zinc/98/01/34/552980134.db2.gz	CNNOYTGBYSBIAQ-YPKPFQOOSA-N	-5	3	502.460	0.555	40	30		KCEBHL
CN(C)[C@@H]1C([O-])=C(C(=O)NCN2CCCC2)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@H]3C[C@@H]12	ZINC000057678900	554364348	/nfs/dbraw/zinc/36/43/48/554364348.db2.gz	HMEYVGGHISAPJR-IUTIQHPMSA-N	-2	3	527.574	0.470	40	30	in-vitro	KCEBHL
CN(C)[C@@H]1C(=O)C(C(=O)NCN2CCCC2)=C([O-])[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@H]3C[C@@H]12	ZINC000057678900	554364343	/nfs/dbraw/zinc/36/43/43/554364343.db2.gz	HMEYVGGHISAPJR-IUTIQHPMSA-N	-2	3	527.574	0.470	40	30	in-vitro	KCEBHL
CN(C)[C@@H]1C([O-])=C(C(=O)NCN2CCCC2)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000057678901	554364327	/nfs/dbraw/zinc/36/43/27/554364327.db2.gz	HMEYVGGHISAPJR-HJWMYCFHSA-N	-2	3	527.574	0.470	40	30	in-vitro	KCEBHL
CN(C)[C@@H]1C(=O)C(C(=O)NCN2CCCC2)=C([O-])[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000057678901	554364321	/nfs/dbraw/zinc/36/43/21/554364321.db2.gz	HMEYVGGHISAPJR-HJWMYCFHSA-N	-2	3	527.574	0.470	40	30	in-vitro	KCEBHL
CN(C)[C@@H]1C([O-])=C(C(=O)NCN2CCCC2)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@H]3C[C@@H]12	ZINC000057678904	554364380	/nfs/dbraw/zinc/36/43/80/554364380.db2.gz	HMEYVGGHISAPJR-FQDNFZSWSA-N	-2	3	527.574	0.470	40	30	in-vitro	KCEBHL
CN(C)[C@@H]1C(=O)C(C(=O)NCN2CCCC2)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@H]3C[C@@H]12	ZINC000057678904	554364378	/nfs/dbraw/zinc/36/43/78/554364378.db2.gz	HMEYVGGHISAPJR-FQDNFZSWSA-N	-2	3	527.574	0.470	40	30	in-vitro	KCEBHL
C=C(C)[C@@H]1NC(=O)[C@@H](NC)[C@@H](O)c2cc(Cl)c([O-])c(c2)O[C@](C)(CC)[C@@H](C(=O)N2CC=C[C@H]2C(=O)N/C(C(=O)N/C(=C/C(=O)[O-])C(=O)[O-])=C(\C)CC)NC1=O	ZINC000085552684	562753239	/nfs/dbraw/zinc/75/32/39/562753239.db2.gz	FAFRRYBYQKPKSY-AJSRVUJESA-N	-3	3	789.239	0.510	40	30	in-vitro	KCEBHL
CN(C)[C@@H]1C(=O)C(C(=O)NCNc2cccc(C(=O)[O-])c2C(=O)[O-])=C([O-])[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@H]3C[C@@H]12	ZINC000150474354	562843439	/nfs/dbraw/zinc/84/34/39/562843439.db2.gz	GDFMZNWMFGDDBZ-FWUDUZLRSA-N	-4	3	637.598	0.883	40	30		KCEBHL
CN(C)[C@@H]1C(=O)C(C(=O)NCNc2cccc(C(=O)[O-])c2C(=O)[O-])=C([O-])[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000150474359	571510497	/nfs/dbraw/zinc/51/04/97/571510497.db2.gz	GDFMZNWMFGDDBZ-XBLRZLRXSA-N	-4	3	637.598	0.883	40	30		KCEBHL
CN(C)[C@@H]1C(=O)C(C(=O)NCNc2cccc(C(=O)[O-])c2C(=O)[O-])=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@H]3C[C@@H]12	ZINC000150474368	571510559	/nfs/dbraw/zinc/51/05/59/571510559.db2.gz	GDFMZNWMFGDDBZ-DLCQDGANSA-N	-4	3	637.598	0.883	40	30		KCEBHL