smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)Cc1ccc([C@H](C)C(=O)N[C@H](C)c2nnc3n2CCCC3)cc1	ZINC000161233325	567889581	/nfs/dbraw/zinc/88/95/81/567889581.db2.gz	YXMXHWHFIPPNLY-JKSUJKDBSA-N	0	0	354.498	3.794	10	70		FHIERN
CC(C)CCOc1ccc([C@H](C)NC(=O)[C@H]2CCn3ccnc3C2)cc1	ZINC000161105562	567870987	/nfs/dbraw/zinc/87/09/87/567870987.db2.gz	LIQGXGPYIQGNSJ-WMZOPIPTSA-N	0	0	355.482	3.748	10	70		FHIERN
CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H](C)c2nnc3n2CCCC3)cc1	ZINC000161233081	567889609	/nfs/dbraw/zinc/88/96/09/567889609.db2.gz	YXMXHWHFIPPNLY-HOTGVXAUSA-N	0	0	354.498	3.794	10	70		FHIERN
CCc1ccc([C@@H]2CCCCN2C(=O)Nc2cnn(-c3ncccn3)c2)o1	ZINC000161098992	567866182	/nfs/dbraw/zinc/86/61/82/567866182.db2.gz	LEGJNRPBZPJFGJ-INIZCTEOSA-N	0	0	366.425	3.577	10	70		FHIERN
O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CC[C@H](Oc2cccnc2)C1	ZINC000161381673	567923460	/nfs/dbraw/zinc/92/34/60/567923460.db2.gz	QIFQPDWBCGOTPR-KRWDZBQOSA-N	0	0	351.381	3.509	10	70		FHIERN
CC(C)Cc1ccc([C@@H](C)C(=O)N[C@H](C)c2nnc3n2CCCC3)cc1	ZINC000161233199	567889642	/nfs/dbraw/zinc/88/96/42/567889642.db2.gz	YXMXHWHFIPPNLY-HZPDHXFCSA-N	0	0	354.498	3.794	10	70		FHIERN
CCCCC[C@H](NC(=O)N[C@H]1CCCn2nc(COC)nc21)C(C)(C)C	ZINC000160824693	567818611	/nfs/dbraw/zinc/81/86/11/567818611.db2.gz	ZJYZQSPQINWEIZ-GJZGRUSLSA-N	0	0	365.522	3.554	10	70		FHIERN
COC(=O)c1csc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)c1	ZINC000161138304	567875894	/nfs/dbraw/zinc/87/58/94/567875894.db2.gz	YPNLKYGOVATPGP-JKSUJKDBSA-N	0	0	374.462	3.655	10	70		FHIERN
O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CC[C@@H](Oc2cccnc2)C1	ZINC000161381522	567923447	/nfs/dbraw/zinc/92/34/47/567923447.db2.gz	QIFQPDWBCGOTPR-QGZVFWFLSA-N	0	0	351.381	3.509	10	70		FHIERN
CC(C)CCOc1ccc([C@@H](C)NC(=O)[C@H]2CCn3ccnc3C2)cc1	ZINC000161105448	567871027	/nfs/dbraw/zinc/87/10/27/567871027.db2.gz	LIQGXGPYIQGNSJ-AEFFLSMTSA-N	0	0	355.482	3.748	10	70		FHIERN
COC(=O)c1csc(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c1	ZINC000161138075	567875931	/nfs/dbraw/zinc/87/59/31/567875931.db2.gz	YPNLKYGOVATPGP-HOTGVXAUSA-N	0	0	374.462	3.655	10	70		FHIERN
COC(=O)c1csc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1	ZINC000161138202	567875939	/nfs/dbraw/zinc/87/59/39/567875939.db2.gz	YPNLKYGOVATPGP-HZPDHXFCSA-N	0	0	374.462	3.655	10	70		FHIERN
CCc1ccc([C@H]2CCCCN2C(=O)Nc2cnn(-c3ncccn3)c2)o1	ZINC000161099100	567866148	/nfs/dbraw/zinc/86/61/48/567866148.db2.gz	LEGJNRPBZPJFGJ-MRXNPFEDSA-N	0	0	366.425	3.577	10	70		FHIERN
Cc1noc([C@H]2COCCN2Cc2cccc(OCc3ccccc3)c2)n1	ZINC000161197159	567891309	/nfs/dbraw/zinc/89/13/09/567891309.db2.gz	AXYDWFJFDQLPOF-HXUWFJFHSA-N	0	0	365.433	3.531	10	70		FHIERN
COCCCOc1cccc(CNC(=O)N2CCC[C@@H]2c2ccco2)c1	ZINC000161320788	567906056	/nfs/dbraw/zinc/90/60/56/567906056.db2.gz	PPRDRYWJHPMZCS-GOSISDBHSA-N	0	0	358.438	3.742	10	70		FHIERN
Cc1noc([C@H]2COCCN2Cc2ccc(OCc3ccccc3)cc2)n1	ZINC000161100792	567866453	/nfs/dbraw/zinc/86/64/53/567866453.db2.gz	WIUMPIKRJGNWNB-HXUWFJFHSA-N	0	0	365.433	3.531	10	70		FHIERN
COCCCOc1cccc(CNC(=O)N2CCC[C@H]2c2ccco2)c1	ZINC000161320916	567906104	/nfs/dbraw/zinc/90/61/04/567906104.db2.gz	PPRDRYWJHPMZCS-SFHVURJKSA-N	0	0	358.438	3.742	10	70		FHIERN
CCCCC[C@@H](NC(=O)N[C@@H]1CCCn2nc(COC)nc21)C(C)(C)C	ZINC000160824553	567818675	/nfs/dbraw/zinc/81/86/75/567818675.db2.gz	ZJYZQSPQINWEIZ-HUUCEWRRSA-N	0	0	365.522	3.554	10	70		FHIERN
CC(C)CCOc1ccc([C@H](C)NC(=O)[C@@H]2CCn3ccnc3C2)cc1	ZINC000161105317	567870861	/nfs/dbraw/zinc/87/08/61/567870861.db2.gz	LIQGXGPYIQGNSJ-FUHWJXTLSA-N	0	0	355.482	3.748	10	70		FHIERN
CC(C)Cc1ccc([C@@H](C)C(=O)N[C@@H](C)c2nnc3n2CCCC3)cc1	ZINC000161232940	567889631	/nfs/dbraw/zinc/88/96/31/567889631.db2.gz	YXMXHWHFIPPNLY-CVEARBPZSA-N	0	0	354.498	3.794	10	70		FHIERN
COc1cc(NC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc(OC)c1	ZINC000217273780	568173721	/nfs/dbraw/zinc/17/37/21/568173721.db2.gz	MFQZODWDKOSIGX-GFCCVEGCSA-N	0	0	360.410	3.604	10	70		FHIERN
COc1ccccc1[C@@H](NC(=O)N1CCC([C@@H](C)O)CC1)c1ccccc1	ZINC000159420889	568275290	/nfs/dbraw/zinc/27/52/90/568275290.db2.gz	QYYNHGMRACXJET-IERDGZPVSA-N	0	0	368.477	3.587	10	70		FHIERN
COC(=O)c1csc(NC(=O)N2CCC[C@H](c3nc(C)cs3)C2)c1	ZINC000161025361	567856335	/nfs/dbraw/zinc/85/63/35/567856335.db2.gz	CFRJESKTZDIXBS-NSHDSACASA-N	0	0	365.480	3.711	10	70		FHIERN
COc1ccccc1[C@@H](NC(=O)N1CCC([C@H](C)O)CC1)c1ccccc1	ZINC000159420767	568275057	/nfs/dbraw/zinc/27/50/57/568275057.db2.gz	QYYNHGMRACXJET-KKSFZXQISA-N	0	0	368.477	3.587	10	70		FHIERN
Cc1noc([C@@H]2COCCN2Cc2cccc(OCc3ccccc3)c2)n1	ZINC000161197046	567891177	/nfs/dbraw/zinc/89/11/77/567891177.db2.gz	AXYDWFJFDQLPOF-FQEVSTJZSA-N	0	0	365.433	3.531	10	70		FHIERN
COC(=O)c1csc(NC(=O)N2CCC[C@@H](c3nc(C)cs3)C2)c1	ZINC000161025225	567856366	/nfs/dbraw/zinc/85/63/66/567856366.db2.gz	CFRJESKTZDIXBS-LLVKDONJSA-N	0	0	365.480	3.711	10	70		FHIERN
COc1cc(NC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc(OC)c1	ZINC000217273776	568173728	/nfs/dbraw/zinc/17/37/28/568173728.db2.gz	MFQZODWDKOSIGX-LBPRGKRZSA-N	0	0	360.410	3.604	10	70		FHIERN
COc1ccccc1[C@H](NC(=O)N1CCC([C@H](C)O)CC1)c1ccccc1	ZINC000159421029	568295254	/nfs/dbraw/zinc/29/52/54/568295254.db2.gz	QYYNHGMRACXJET-HRAATJIYSA-N	0	0	368.477	3.587	10	70		FHIERN
CCCCC[C@H](NC(=O)N[C@@H]1CCCn2nc(COC)nc21)C(C)(C)C	ZINC000160824426	567818581	/nfs/dbraw/zinc/81/85/81/567818581.db2.gz	ZJYZQSPQINWEIZ-CABCVRRESA-N	0	0	365.522	3.554	10	70		FHIERN
Cc1noc([C@@H]2COCCN2Cc2ccc(OCc3ccccc3)cc2)n1	ZINC000161100666	567866403	/nfs/dbraw/zinc/86/64/03/567866403.db2.gz	WIUMPIKRJGNWNB-FQEVSTJZSA-N	0	0	365.433	3.531	10	70		FHIERN
CC(C)CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCn3ccnc3C2)cc1	ZINC000161105189	567870882	/nfs/dbraw/zinc/87/08/82/567870882.db2.gz	LIQGXGPYIQGNSJ-SJLPKXTDSA-N	0	0	355.482	3.748	10	70		FHIERN
COC(=O)c1csc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)c1	ZINC000161137954	567875869	/nfs/dbraw/zinc/87/58/69/567875869.db2.gz	YPNLKYGOVATPGP-CVEARBPZSA-N	0	0	374.462	3.655	10	70		FHIERN
COc1ccccc1[C@H](NC(=O)N1CCC([C@@H](C)O)CC1)c1ccccc1	ZINC000159421171	568295401	/nfs/dbraw/zinc/29/54/01/568295401.db2.gz	QYYNHGMRACXJET-IIBYNOLFSA-N	0	0	368.477	3.587	10	70		FHIERN
CCCCC[C@@H](NC(=O)N[C@H]1CCCn2nc(COC)nc21)C(C)(C)C	ZINC000160824812	567818688	/nfs/dbraw/zinc/81/86/88/567818688.db2.gz	ZJYZQSPQINWEIZ-LSDHHAIUSA-N	0	0	365.522	3.554	10	70		FHIERN