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)NCN[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)[O-])C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000004430814	552461058	/nfs/dbraw/zinc/46/10/58/552461058.db2.gz	ULJRWCRBDMTYID-CJVHIPLSSA-N	-3	3	672.713	-0.521	40	30		KBEBHL
CN(C)[C@H]1C(=O)C(C(=O)NCN[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)[O-])=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000004430814	552461055	/nfs/dbraw/zinc/46/10/55/552461055.db2.gz	ULJRWCRBDMTYID-CJVHIPLSSA-N	-3	3	672.713	-0.521	40	30		KBEBHL
CN(C)[C@H]1C([O-])=C(C(=O)NCN[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)[O-])C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000004430815	552461012	/nfs/dbraw/zinc/46/10/12/552461012.db2.gz	ULJRWCRBDMTYID-XGNMDTDMSA-N	-3	3	672.713	-0.521	40	30		KBEBHL
CN(C)[C@H]1C(=O)C(C(=O)NCN[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)[O-])=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000004430815	552461009	/nfs/dbraw/zinc/46/10/09/552461009.db2.gz	ULJRWCRBDMTYID-XGNMDTDMSA-N	-3	3	672.713	-0.521	40	30		KBEBHL
CN(C)[C@H]1C([O-])=C(C(=O)NCN[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000004430816	552461034	/nfs/dbraw/zinc/46/10/34/552461034.db2.gz	ULJRWCRBDMTYID-XEWQCYGISA-N	-3	3	672.713	-0.521	40	30		KBEBHL
CN(C)[C@H]1C(=O)C(C(=O)NCN[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000004430816	552461031	/nfs/dbraw/zinc/46/10/31/552461031.db2.gz	ULJRWCRBDMTYID-XEWQCYGISA-N	-3	3	672.713	-0.521	40	30		KBEBHL
CN(C)[C@H]1C([O-])=C(C(=O)NCN[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)[O-])C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000004430817	552460990	/nfs/dbraw/zinc/46/09/90/552460990.db2.gz	ULJRWCRBDMTYID-HZVIRFPVSA-N	-3	3	672.713	-0.521	40	30		KBEBHL
CN(C)[C@H]1C(=O)C(C(=O)NCN[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)[O-])=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000004430817	552460988	/nfs/dbraw/zinc/46/09/88/552460988.db2.gz	ULJRWCRBDMTYID-HZVIRFPVSA-N	-3	3	672.713	-0.521	40	30		KBEBHL
CN(C)[C@@H]1C([O-])=C(C(=O)NCN(C)CCO)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@H]3C[C@@H]12	ZINC000004715069	552472508	/nfs/dbraw/zinc/47/25/08/552472508.db2.gz	KWROMPOKEVGEAO-UGBDFQHBSA-N	-2	3	531.562	-0.702	40	30		KBEBHL
CN(C)[C@@H]1C(=O)C(C(=O)NCN(C)CCO)=C([O-])[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@H]3C[C@@H]12	ZINC000004715069	552472505	/nfs/dbraw/zinc/47/25/05/552472505.db2.gz	KWROMPOKEVGEAO-UGBDFQHBSA-N	-2	3	531.562	-0.702	40	30		KBEBHL
CN(C)[C@@H]1C([O-])=C(C(=O)NCN(C)CCO)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000004715070	552472478	/nfs/dbraw/zinc/47/24/78/552472478.db2.gz	KWROMPOKEVGEAO-KBSRKPNKSA-N	-2	3	531.562	-0.702	40	30		KBEBHL
CN(C)[C@@H]1C(=O)C(C(=O)NCN(C)CCO)=C([O-])[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000004715070	552472475	/nfs/dbraw/zinc/47/24/75/552472475.db2.gz	KWROMPOKEVGEAO-KBSRKPNKSA-N	-2	3	531.562	-0.702	40	30		KBEBHL
CN(C)[C@@H]1C([O-])=C(C(=O)NCN(C)CCO)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@H]3C[C@@H]12	ZINC000004715071	552472488	/nfs/dbraw/zinc/47/24/88/552472488.db2.gz	KWROMPOKEVGEAO-QGYGVNSUSA-N	-2	3	531.562	-0.702	40	30		KBEBHL
CN(C)[C@@H]1C(=O)C(C(=O)NCN(C)CCO)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@H]3C[C@@H]12	ZINC000004715071	552472486	/nfs/dbraw/zinc/47/24/86/552472486.db2.gz	KWROMPOKEVGEAO-QGYGVNSUSA-N	-2	3	531.562	-0.702	40	30		KBEBHL
CN(C)[C@@H]1C([O-])=C(C(=O)NCN(C)CCO)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000004715072	552472541	/nfs/dbraw/zinc/47/25/41/552472541.db2.gz	KWROMPOKEVGEAO-DCLBKFPOSA-N	-2	3	531.562	-0.702	40	30		KBEBHL
CN(C)[C@@H]1C(=O)C(C(=O)NCN(C)CCO)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000004715072	552472538	/nfs/dbraw/zinc/47/25/38/552472538.db2.gz	KWROMPOKEVGEAO-DCLBKFPOSA-N	-2	3	531.562	-0.702	40	30		KBEBHL
O=C[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])O[C@@H](C=O)n1cnc2c1nc[n-]c2=O	ZINC000025760528	571360672	/nfs/dbraw/zinc/36/06/72/571360672.db2.gz	FOMFUVPLGRLZNH-BQBZGAKWSA-N	-5	3	506.150	-0.843	40	30		KBEBHL