smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(C(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3ncc[nH]3)[N@H+]2C)CC1	ZINC000020464575	575367071	/nfs/dbraw/zinc/36/70/71/575367071.db2.gz	AMBNWCXSJRHRBD-FCEWJHQRSA-N	2	1	403.531	-0.663	40	0	biogenic,in-vitro	HBABMP
C[NH+]1CCN(C(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3ncc[nH]3)[N@@H+]2C)CC1	ZINC000020464575	575367068	/nfs/dbraw/zinc/36/70/68/575367068.db2.gz	AMBNWCXSJRHRBD-FCEWJHQRSA-N	2	1	403.531	-0.663	40	0	biogenic,in-vitro	HBABMP
C[NH+]1CCC([NH2+]C[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCN(c3ccccn3)CC2)CC1	ZINC000020465651	575368035	/nfs/dbraw/zinc/36/80/35/575368035.db2.gz	FOBZFFMDHQNRCA-YXYSEUPNSA-N	2	1	405.543	-0.623	40	0	biogenic,in-vitro	HBABMP
C[NH+]1CCC(N2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCOCC2)[N@H+]3C)CC1	ZINC000022923279	291164936	/nfs/dbraw/zinc/16/49/36/291164936.db2.gz	SATKHVNCMMZPHT-NSHGMRRFSA-N	2	1	407.559	-0.407	40	0	biogenic,in-vitro	HBABMP
C[NH+]1CCC(N2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCOCC2)[N@@H+]3C)CC1	ZINC000022923279	291164931	/nfs/dbraw/zinc/16/49/31/291164931.db2.gz	SATKHVNCMMZPHT-NSHGMRRFSA-N	2	1	407.559	-0.407	40	0	biogenic,in-vitro	HBABMP
CN1[C@@H]2CC[N@H+](C3CCOCC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CC[NH+](C)CC1	ZINC000022923476	291165012	/nfs/dbraw/zinc/16/50/12/291165012.db2.gz	CUFLNSWYHPEVIQ-NSHGMRRFSA-N	2	1	407.559	-0.407	40	0	biogenic,in-vitro	HBABMP
CN1[C@@H]2CC[N@@H+](C3CCOCC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CC[NH+](C)CC1	ZINC000022923476	291165008	/nfs/dbraw/zinc/16/50/08/291165008.db2.gz	CUFLNSWYHPEVIQ-NSHGMRRFSA-N	2	1	407.559	-0.407	40	0	biogenic,in-vitro	HBABMP
CN1[C@@H]2CCN(Cc3ncc[nH]3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCC(O)CC1	ZINC000022923695	291165058	/nfs/dbraw/zinc/16/50/58/291165058.db2.gz	FMLYJLJZDTVBFV-GMBSWORKSA-N	2	1	404.515	-0.454	40	0	biogenic,in-vitro	HBABMP
C[N@H+]1[C@@H]2CCN(Cc3ncc[nH]3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCC(O)CC1	ZINC000022923695	291165055	/nfs/dbraw/zinc/16/50/55/291165055.db2.gz	FMLYJLJZDTVBFV-GMBSWORKSA-N	2	1	404.515	-0.454	40	0	biogenic,in-vitro	HBABMP
Cn1cc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](C[NH2+]C4CC[NH+](C)CC4)[C@@H](O)[C@H]3O2)cn1	ZINC000225517327	291165073	/nfs/dbraw/zinc/16/50/73/291165073.db2.gz	VVONWXMYFJIBSV-PNDFQMOFSA-N	2	1	407.515	-0.604	40	0	biogenic,in-vitro	HBABMP
Cn1ccnc1CNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CC[NH+](C)CC3)[C@@H](O)[C@H]2O1	ZINC000225520421	291164980	/nfs/dbraw/zinc/16/49/80/291164980.db2.gz	MHMJCLVIRSJWAD-AFJOWOCMSA-N	2	1	407.515	-0.604	40	0	biogenic,in-vitro	HBABMP