smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1cc(C[NH+]2CCOCCOCCOCCOCC2)c(O)cc1C[NH+]1CCOCCOCCOCCOCC1	ZINC000005844553	552510955	/nfs/dbraw/zinc/51/09/55/552510955.db2.gz	SFQKUQBDBGPGDJ-UHFFFAOYSA-N	2	2	572.696	0.862	40	10		KCCBLP
C[NH+]1CCN(NC(=O)CCCN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)NN4CC[NH+](C)CC4)C3=O)SC2=S)CC1	ZINC000101002479	554553091	/nfs/dbraw/zinc/55/30/91/554553091.db2.gz	RMZWFQWXZHDUNY-FMQUCBEESA-N	2	2	628.872	0.036	40	10		KCCBLP
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CN1CC[NH+](C)CC1)C[C@H]3O[C@H]1C[C@@H]([NH3+])[C@@H](O)[C@@H](C)O1	ZINC000104184570	571376242	/nfs/dbraw/zinc/37/62/42/571376242.db2.gz	GFGVYRFMNVPWFP-URNGZZJTSA-N	2	2	625.675	0.256	40	10		KCCBLP
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CN1CC[NH+](C)CC1)C[C@H]3O[C@H]1C[C@@H]([NH3+])[C@@H](O)[C@H](C)O1	ZINC000104184576	571376208	/nfs/dbraw/zinc/37/62/08/571376208.db2.gz	GFGVYRFMNVPWFP-RJZSXEEXSA-N	2	2	625.675	0.256	40	10		KCCBLP
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CN1CC[NH+](C)CC1)C[C@H]3O[C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](C)O1	ZINC000104184579	571376251	/nfs/dbraw/zinc/37/62/51/571376251.db2.gz	GFGVYRFMNVPWFP-ARAXPWKSSA-N	2	2	625.675	0.256	40	10		KCCBLP
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CN1CC[NH+](C)CC1)C[C@H]3O[C@H]1C[C@@H]([NH3+])[C@H](O)[C@H](C)O1	ZINC000104184582	571376239	/nfs/dbraw/zinc/37/62/39/571376239.db2.gz	GFGVYRFMNVPWFP-WKYABUKWSA-N	2	2	625.675	0.256	40	10		KCCBLP
O=C(CCN1C(=O)/C(=C2/SC(=S)N(CCC(=O)NCCC[NH+]3CCOCC3)C2=O)SC1=S)NCCC[NH+]1CCOCC1	ZINC000150406998	571479993	/nfs/dbraw/zinc/47/99/93/571479993.db2.gz	POMJNCCXWWUCOV-QURGRASLSA-N	2	2	658.894	0.376	40	10		KCCBLP
O=C1C[C@@H]2O[C@H](C[N@H+](Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](C[NH+]3Cc3ccccc3O)N1)[C@@H](O)[C@H]2O	ZINC000225444978	571816176	/nfs/dbraw/zinc/81/61/76/571816176.db2.gz	CTSNTCDBZUBFGG-GHNWYWNUSA-N	2	2	616.662	0.352	40	10		KCCBLP
O=C1C[C@@H]2O[C@H](C[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](C[NH+]3Cc3ccccc3O)N1)[C@@H](O)[C@H]2O	ZINC000225444978	571816174	/nfs/dbraw/zinc/81/61/74/571816174.db2.gz	CTSNTCDBZUBFGG-GHNWYWNUSA-N	2	2	616.662	0.352	40	10		KCCBLP
O=C1C[C@@H]2O[C@H](C[NH+](Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](C[N@@H+]3Cc3ccccc3O)N1)[C@@H](O)[C@H]2O	ZINC000225444978	571816171	/nfs/dbraw/zinc/81/61/71/571816171.db2.gz	CTSNTCDBZUBFGG-GHNWYWNUSA-N	2	2	616.662	0.352	40	10		KCCBLP
O=C1C[C@@H]2O[C@H](C[NH+](Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](C[N@H+]3Cc3ccccc3O)N1)[C@@H](O)[C@H]2O	ZINC000225444978	571816160	/nfs/dbraw/zinc/81/61/60/571816160.db2.gz	CTSNTCDBZUBFGG-GHNWYWNUSA-N	2	2	616.662	0.352	40	10		KCCBLP
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O)NCCN1CCOCC1	ZINC000958317595	1066282228	/nfs/dbraw/zinc/28/22/28/1066282228.db2.gz	BVERDQKFNCOCIA-ZEQRLZLVSA-N	2	2	540.709	0.438	40	10		KCCBLP
CC(=O)NCCNC(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O	ZINC000958317618	1066282256	/nfs/dbraw/zinc/28/22/56/1066282256.db2.gz	NCLXLLZXCRDVGP-VXKWHMMOSA-N	2	2	512.655	0.242	40	10		KCCBLP