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](OC(=O)OC1CCCCC1)OC(=O)C1=C(CSc2nnnn2CCN(C)C)CS[C@@H]2[C@H](NC(=O)Cc3csc(N)n3)C(=O)N12	ZINC000009163585	553215675	/nfs/dbraw/zinc/21/56/75/553215675.db2.gz	VVFDMWZLBPUKTD-ZFUCPZCZSA-N	0	3	695.850	1.637	10	0	in-man	KDAEHN
CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@]2(Cc2ccccc2)C1=O	ZINC000011678025	561709785	/nfs/dbraw/zinc/70/97/85/561709785.db2.gz	KVLLHLWBPNCVNR-DFHRPNOPSA-N	0	3	505.619	1.715	10	0		KDAEHN
CN1N=C2CCN(C(=O)[C@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@]2(Cc2ccccc2)C1=O	ZINC000011678032	553340119	/nfs/dbraw/zinc/34/01/19/553340119.db2.gz	KVLLHLWBPNCVNR-DWACAAAGSA-N	0	3	505.619	1.715	10	0		KDAEHN
CN(Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccccc3F)CC2)c1)C[C@@H]1CCC(=O)N1	ZINC000014881228	553521075	/nfs/dbraw/zinc/52/10/75/553521075.db2.gz	BTDAFPWSNVHOIR-NRFANRHFSA-N	0	3	504.628	1.921	10	0		KDAEHN
CN(Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccccc3F)CC2)c1)C[C@H]1CCC(=O)N1	ZINC000014881230	553520995	/nfs/dbraw/zinc/52/09/95/553520995.db2.gz	BTDAFPWSNVHOIR-OAQYLSRUSA-N	0	3	504.628	1.921	10	0		KDAEHN
CC(C)n1c2ccccc2cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C[C@@H](O)CN(C)S(C)(=O)=O)c1=O	ZINC000015821733	553536777	/nfs/dbraw/zinc/53/67/77/553536777.db2.gz	HXLOHDZQBKCUCR-VTHDOGFWSA-N	0	3	504.653	1.560	10	0	in-man	KDAEHN
CC(C)(C)NC(=O)[C@@H]1CNCCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000027092909	553825369	/nfs/dbraw/zinc/82/53/69/553825369.db2.gz	MKMGKCALCCOODL-XXEBQWMLSA-N	0	3	522.690	1.559	10	0	in-vitro	KDAEHN
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C[C@H]4c5cccc6[nH]cc(c65)C[C@H]4N(C)C3)C(=O)N12	ZINC000028973477	561986178	/nfs/dbraw/zinc/98/61/78/561986178.db2.gz	XWMMZDZUHSYSPU-JKXDSESCSA-N	0	3	549.672	1.885	10	0		KDAEHN
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c65)C[C@H]4N(C)C3)C(=O)N12	ZINC000028973481	561986202	/nfs/dbraw/zinc/98/62/02/561986202.db2.gz	XWMMZDZUHSYSPU-ZADNKJPOSA-N	0	3	549.672	1.885	10	0		KDAEHN
CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@@]1(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)[C@@H](C)CC	ZINC000029127145	561999542	/nfs/dbraw/zinc/99/95/42/561999542.db2.gz	WJSWZPCMRIBLLU-NYFYMHEBSA-N	0	3	598.855	1.526	10	0		KDAEHN
CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6C(=O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@@H]32)[C@@H]14	ZINC000049899416	562693081	/nfs/dbraw/zinc/69/30/81/562693081.db2.gz	VBFGMIUWGBSAGV-OZALCXTISA-N	0	3	666.768	1.589	10	0	in-vitro	KDAEHN
CC(C)C[C@H]1C(=O)N2[C@@H](O)CC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c65)C[C@H]4N(C)C3)(C(C)C)C(=O)N12	ZINC000072131384	553642895	/nfs/dbraw/zinc/64/28/95/553642895.db2.gz	BFLHMXBCIVJINI-WKDFZMPQSA-N	0	3	593.725	1.839	10	0	in-vitro	KDAEHN
CC(C)C[C@H]1C(=O)N2[C@H](O)CC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c65)C[C@H]4N(C)C3)(C(C)C)C(=O)N12	ZINC000072131385	553642789	/nfs/dbraw/zinc/64/27/89/553642789.db2.gz	BFLHMXBCIVJINI-BAUPUHMQSA-N	0	3	593.725	1.839	10	0	in-vitro	KDAEHN
CC(C)C[C@H]1C(=O)N2[C@@H](O)CC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@H]4c5cccc6[nH]cc(c65)C[C@H]4N(C)C3)(C(C)C)C(=O)N12	ZINC000072131386	553642815	/nfs/dbraw/zinc/64/28/15/553642815.db2.gz	BFLHMXBCIVJINI-QBZOEVCQSA-N	0	3	593.725	1.839	10	0	in-vitro	KDAEHN
CC(C)C[C@H]1C(=O)N2[C@H](O)CC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@H]4c5cccc6[nH]cc(c65)C[C@H]4N(C)C3)(C(C)C)C(=O)N12	ZINC000072131387	553642906	/nfs/dbraw/zinc/64/29/06/553642906.db2.gz	BFLHMXBCIVJINI-CRKXCDINSA-N	0	3	593.725	1.839	10	0	in-vitro	KDAEHN
CC(C)C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(C)C	ZINC000150340185	571457745	/nfs/dbraw/zinc/45/77/45/571457745.db2.gz	SICITCLFXRGKJW-IIZANFQQSA-N	0	3	652.837	1.654	10	0		KDAEHN
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000150340204	571457733	/nfs/dbraw/zinc/45/77/33/571457733.db2.gz	XBXACJKRWWOWLI-PZBSVLGOSA-N	0	3	751.955	1.367	10	0		KDAEHN