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]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(N2CC[NH+](C)CC2)cc1	ZINC000095454548	568616428	/nfs/dbraw/zinc/61/64/28/568616428.db2.gz	NVWBQYFPWINGRV-KMFTYDHNSA-N	2	0	401.595	3.990	50	10		HHCARP
C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(N2CC[NH+](C)CC2)cc1	ZINC000095454547	568616327	/nfs/dbraw/zinc/61/63/27/568616327.db2.gz	NVWBQYFPWINGRV-PELRDEGISA-N	2	0	401.595	3.990	50	10		HHCARP
CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cc(Cl)ccc2O)CC1	ZINC000012314833	558378310	/nfs/dbraw/zinc/37/83/10/558378310.db2.gz	XAWXLYBIUBJQSI-HXUWFJFHSA-N	2	0	407.986	3.638	50	10		HHCARP
CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cc(Cl)ccc2O)CC1	ZINC000012314834	558378353	/nfs/dbraw/zinc/37/83/53/558378353.db2.gz	XAWXLYBIUBJQSI-FQEVSTJZSA-N	2	0	407.986	3.638	50	10		HHCARP
C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cc(Br)ccc1O	ZINC000095469452	568625608	/nfs/dbraw/zinc/62/56/08/568625608.db2.gz	HHQLJCTWCMWVGJ-OAHLLOKOSA-N	2	0	419.363	3.962	50	10		HHCARP
COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)Cc2ccccc2O)C1	ZINC000020542700	524451923	/nfs/dbraw/zinc/45/19/23/524451923.db2.gz	NRDVZPAUEMIGQX-NRFANRHFSA-N	2	0	411.590	3.677	50	10		HHCARP
COCC[N@@H+](Cc1cc(OC)ccc1O)CC1CC[NH+](Cc2ccccc2F)CC1	ZINC000011753907	558272843	/nfs/dbraw/zinc/27/28/43/558272843.db2.gz	ZNKMPALUMUDSRZ-UHFFFAOYSA-N	2	0	416.537	3.901	50	10		HHCARP
C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cc(Br)ccc1O	ZINC000095469451	568625633	/nfs/dbraw/zinc/62/56/33/568625633.db2.gz	HHQLJCTWCMWVGJ-HNNXBMFYSA-N	2	0	419.363	3.962	50	10		HHCARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)Cc2ccccc2O)C1	ZINC000020542697	524449645	/nfs/dbraw/zinc/44/96/45/524449645.db2.gz	NRDVZPAUEMIGQX-OAQYLSRUSA-N	2	0	411.590	3.677	50	10		HHCARP
CN1CCC([NH+]2CCC(C[N@H+](Cc3ccncc3)Cc3ccccc3O)CC2)CC1	ZINC000012304617	558373841	/nfs/dbraw/zinc/37/38/41/558373841.db2.gz	LCBPKZMRZLHAPP-UHFFFAOYSA-N	2	0	408.590	3.596	50	10		HHCARP