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)CCC(=O)NCC(=O)NC[C@H](O)CN1CCCCC1	ZINC000160018424	527697664	/nfs/dbraw/zinc/69/76/64/527697664.db2.gz	UCCJWZVNNQEFBS-AWEZNQCLSA-N	0	3	313.442	0.502	10	70		DCIEHN
CN(C)C[C@](C)(O)CNS(=O)(=O)c1cccc2ncccc21	ZINC000161411782	237094626	/nfs/dbraw/zinc/09/46/26/237094626.db2.gz	SXFMTPRWRKSTEX-OAHLLOKOSA-N	0	3	323.418	0.826	10	70		DCIEHN
COCCN(C)S(=O)(=O)NC[C@H]1CCCN1CC(C)C	ZINC000160309812	416007033	/nfs/dbraw/zinc/00/70/33/416007033.db2.gz	VSXDNWAMPORYKP-CYBMUJFWSA-N	0	3	307.460	0.519	10	70		DCIEHN
COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](N(C)C)C1)CC2	ZINC000160800450	416008728	/nfs/dbraw/zinc/00/87/28/416008728.db2.gz	FEUFUFUBDSMOLT-NEPJUHHUSA-N	0	3	322.413	0.085	10	70		DCIEHN
NC(=O)Nc1cccc(C(=O)NC[C@H](O)CN2CCCCC2)c1	ZINC000160278664	526950390	/nfs/dbraw/zinc/95/03/90/526950390.db2.gz	GBFSQSQXWDDZJH-AWEZNQCLSA-N	0	3	320.393	0.754	10	70		DCIEHN
CCc1nnc(CN2CCCC[C@@H](N3CCN(C)CC3)C2)[nH]1	ZINC000159378053	396067645	/nfs/dbraw/zinc/06/76/45/396067645.db2.gz	KETAESUOTKKIJO-CQSZACIVSA-N	0	3	306.458	0.969	10	70		DCIEHN
COC(=O)[C@@H](C)CS(=O)(=O)NC[C@H]1CCCN1CC(C)C	ZINC000160291190	416007100	/nfs/dbraw/zinc/00/71/00/416007100.db2.gz	OYKBZKORZDIRPJ-QWHCGFSZSA-N	0	3	320.455	0.835	10	70		DCIEHN
COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@H](N(C)C)C1)CC2	ZINC000160800594	416009611	/nfs/dbraw/zinc/00/96/11/416009611.db2.gz	FEUFUFUBDSMOLT-NWDGAFQWSA-N	0	3	322.413	0.085	10	70		DCIEHN
C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160662577	525367257	/nfs/dbraw/zinc/36/72/57/525367257.db2.gz	IQASJHMGYIFALS-OCCSQVGLSA-N	0	3	323.393	0.361	10	70		DCIEHN
C[C@H](O)CN1CCC(CN(C)S(=O)(=O)CCCF)CC1	ZINC000161429372	534077888	/nfs/dbraw/zinc/07/78/88/534077888.db2.gz	UKUAGTSHGNISFG-LBPRGKRZSA-N	0	3	310.435	0.700	10	70		DCIEHN
COCCN1CCC[C@H]1CNC(=O)N1CCC([C@H](C)O)CC1	ZINC000159552670	396069359	/nfs/dbraw/zinc/06/93/59/396069359.db2.gz	LSULASOSTQDGOL-ZFWWWQNUSA-N	0	3	313.442	0.900	10	70		DCIEHN
O=C(NC[C@H](O)CN1CCCCC1)c1cccc2c1OCO2	ZINC000160470586	534624453	/nfs/dbraw/zinc/62/44/53/534624453.db2.gz	SVIFDMSHMRLJOS-LBPRGKRZSA-N	0	3	306.362	0.992	10	70		DCIEHN
CN(C)C[C@H]1CN(C(=O)c2cnc3c(c2)ncn3C)CCO1	ZINC000160537474	416009210	/nfs/dbraw/zinc/00/92/10/416009210.db2.gz	KGKXIEZKHJFEFB-LBPRGKRZSA-N	0	3	303.366	0.371	10	70		DCIEHN
CCOC(=O)CCCN1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000160963521	416011185	/nfs/dbraw/zinc/01/11/85/416011185.db2.gz	HBEFQLGHCKNAPK-AWEZNQCLSA-N	0	3	312.410	0.901	10	70		DCIEHN
CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@H](N(C)C)C2)c1CC	ZINC000160450337	522124579	/nfs/dbraw/zinc/12/45/79/522124579.db2.gz	ZVNOOVMGMMJYNT-NSHDSACASA-N	0	3	321.425	0.740	10	70		DCIEHN
C[C@H](NC(=O)c1ccoc1)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160662463	525256791	/nfs/dbraw/zinc/25/67/91/525256791.db2.gz	IQASJHMGYIFALS-JSGCOSHPSA-N	0	3	323.393	0.361	10	70		DCIEHN
C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCO[C@@H](CN(C)C)C1	ZINC000160448712	525935873	/nfs/dbraw/zinc/93/58/73/525935873.db2.gz	CHQJPDUFRHHQGL-CJNGLKHVSA-N	0	3	322.405	0.735	10	70		DCIEHN
CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1	ZINC000159927724	291236996	/nfs/dbraw/zinc/23/69/96/291236996.db2.gz	UGWTUUGBCFOCPW-QWRGUYRKSA-N	0	3	316.365	0.762	10	70		DCIEHN
CCC[C@H](C(=O)N1CCN(CC(=O)NC2CC2)CC1)N(C)C	ZINC000161281476	291240974	/nfs/dbraw/zinc/24/09/74/291240974.db2.gz	DYNNAZIRNBMXSE-CQSZACIVSA-N	0	3	310.442	0.140	10	70		DCIEHN
CCn1cnnc1[C@H]1CCCN(CCC(=O)N2CCOCC2)C1	ZINC000161269640	416011044	/nfs/dbraw/zinc/01/10/44/416011044.db2.gz	UHYKCEVJHPMQAW-AWEZNQCLSA-N	0	3	321.425	0.726	10	70		DCIEHN
C[C@@H](N[C@@H](C)C(=O)NC(N)=O)c1ccc(-n2ccnn2)cc1	ZINC000159952010	291237153	/nfs/dbraw/zinc/23/71/53/291237153.db2.gz	CKCNIAPXLUJRCY-ZJUUUORDSA-N	0	3	302.338	0.501	10	70		DCIEHN
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)[N-]C1=O	ZINC000160446728	545862957	/nfs/dbraw/zinc/86/29/57/545862957.db2.gz	CLFDDMRIXSWBBG-NEPJUHHUSA-N	0	3	310.398	0.211	10	70		DCIEHN
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)[N-]C1=O	ZINC000160446728	545862960	/nfs/dbraw/zinc/86/29/60/545862960.db2.gz	CLFDDMRIXSWBBG-NEPJUHHUSA-N	0	3	310.398	0.211	10	70		DCIEHN
O=C1CNC(=O)N1CCN1CC[C@H](CNc2ccccn2)C1	ZINC000160906516	416009866	/nfs/dbraw/zinc/00/98/66/416009866.db2.gz	KOFPKAHMRUQCRD-GFCCVEGCSA-N	0	3	303.366	0.367	10	70		DCIEHN
COCCN1CCC[C@@H]1CNC(=O)N1CCC([C@H](C)O)CC1	ZINC000159552978	396069429	/nfs/dbraw/zinc/06/94/29/396069429.db2.gz	LSULASOSTQDGOL-DZGCQCFKSA-N	0	3	313.442	0.900	10	70		DCIEHN
O=C(CNC(=O)c1ccccc1)NC[C@H](O)CN1CCCCC1	ZINC000160382451	526864350	/nfs/dbraw/zinc/86/43/50/526864350.db2.gz	ZXWJMEUFEUCMRA-HNNXBMFYSA-N	0	3	319.405	0.379	10	70		DCIEHN
CCOCCS(=O)(=O)N(C)CC1CCN(C[C@H](C)O)CC1	ZINC000161446393	528848899	/nfs/dbraw/zinc/84/88/99/528848899.db2.gz	QTSINEYJRNPCFW-ZDUSSCGKSA-N	0	3	322.471	0.377	10	70		DCIEHN
COC(=O)[C@@H]1C[C@@H](O)CN1CCN(C)Cc1ccc(F)cc1	ZINC000159557525	396069243	/nfs/dbraw/zinc/06/92/43/396069243.db2.gz	JFBGIGHAZGTDAD-CABCVRRESA-N	0	3	310.369	0.866	10	70		DCIEHN
COCCN1CCC[C@@H]1CNC(=O)N1CCC([C@@H](C)O)CC1	ZINC000159553109	396069329	/nfs/dbraw/zinc/06/93/29/396069329.db2.gz	LSULASOSTQDGOL-UKRRQHHQSA-N	0	3	313.442	0.900	10	70		DCIEHN
Cc1ccn2ncc(C(=O)NC[C@@H](O)CN3CCCCC3)c2n1	ZINC000159916580	416007194	/nfs/dbraw/zinc/00/71/94/416007194.db2.gz	SNINPRVVMMCSCD-CYBMUJFWSA-N	0	3	317.393	0.614	10	70		DCIEHN
CN(C)S(=O)(=O)CCCN1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000161145490	416011253	/nfs/dbraw/zinc/01/12/53/416011253.db2.gz	FORTYSRSHCXAKR-ZIAGYGMSSA-N	0	3	304.456	0.895	10	70		DCIEHN
O=C(CNC(=O)c1cccnc1)N1CC[C@@H](N2CCCC2)C1	ZINC000161342335	416012726	/nfs/dbraw/zinc/01/27/26/416012726.db2.gz	HQQFTPPNHMHOLI-CQSZACIVSA-N	0	3	302.378	0.508	10	70		DCIEHN
CCCC[C@@H](NC(N)=O)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160049393	528851575	/nfs/dbraw/zinc/85/15/75/528851575.db2.gz	WHRNFQHKZPPFRV-QWHCGFSZSA-N	0	3	314.430	0.177	10	70		DCIEHN
Cc1ccnc2nc(C(=O)NC[C@H](O)CN3CCCCC3)nn21	ZINC000160496962	525720014	/nfs/dbraw/zinc/72/00/14/525720014.db2.gz	KMQJGCFEABCXSC-LBPRGKRZSA-N	0	3	318.381	0.009	10	70		DCIEHN
CCCC[C@H](NC(N)=O)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160049257	528988098	/nfs/dbraw/zinc/98/80/98/528988098.db2.gz	WHRNFQHKZPPFRV-STQMWFEESA-N	0	3	314.430	0.177	10	70		DCIEHN
CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1	ZINC000159928001	291236976	/nfs/dbraw/zinc/23/69/76/291236976.db2.gz	UGWTUUGBCFOCPW-WDEREUQCSA-N	0	3	316.365	0.762	10	70		DCIEHN
C[C@@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(N)=O	ZINC000159952117	291236983	/nfs/dbraw/zinc/23/69/83/291236983.db2.gz	CKCNIAPXLUJRCY-VHSXEESVSA-N	0	3	302.338	0.501	10	70		DCIEHN
COC(=O)CCCS(=O)(=O)NC[C@H]1CCCN1CC(C)C	ZINC000160276018	533397988	/nfs/dbraw/zinc/39/79/88/533397988.db2.gz	BBNNTZIRLBXPFU-CYBMUJFWSA-N	0	3	320.455	0.979	10	70		DCIEHN
CC(C)(C)CC(=O)NCC(=O)NC[C@H](O)CN1CCCCC1	ZINC000159990794	527644318	/nfs/dbraw/zinc/64/43/18/527644318.db2.gz	KRDGUUBOKCFHGC-ZDUSSCGKSA-N	0	3	313.442	0.502	10	70		DCIEHN
CCOCCS(=O)(=O)N(C)CC1CCN(C[C@@H](C)O)CC1	ZINC000161446255	528848216	/nfs/dbraw/zinc/84/82/16/528848216.db2.gz	QTSINEYJRNPCFW-CYBMUJFWSA-N	0	3	322.471	0.377	10	70		DCIEHN
CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1	ZINC000159927860	291237012	/nfs/dbraw/zinc/23/70/12/291237012.db2.gz	UGWTUUGBCFOCPW-MNOVXSKESA-N	0	3	316.365	0.762	10	70		DCIEHN
O=C(Cc1cn2ccccc2n1)NC[C@H](O)CN1CCCCC1	ZINC000160396009	527321216	/nfs/dbraw/zinc/32/12/16/527321216.db2.gz	ZTCFBOVCMVAJPH-HNNXBMFYSA-N	0	3	316.405	0.840	10	70		DCIEHN
CN(C)CCNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000217287244	395838716	/nfs/dbraw/zinc/83/87/16/395838716.db2.gz	AXCRXWKJZGOQDU-CQSZACIVSA-N	0	3	304.394	0.648	10	70		DCIEHN
NC(=O)c1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1	ZINC000159977907	527041161	/nfs/dbraw/zinc/04/11/61/527041161.db2.gz	SLRZMBKITYXDRD-AWEZNQCLSA-N	0	3	305.378	0.362	10	70		DCIEHN
CC1CCC(N2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1	ZINC000160006701	291236832	/nfs/dbraw/zinc/23/68/32/291236832.db2.gz	WRWOTXOOQMMCNG-BPCQOVAHSA-N	0	3	322.409	0.307	10	70		DCIEHN
CN(C)c1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cn1	ZINC000160352882	522149724	/nfs/dbraw/zinc/14/97/24/522149724.db2.gz	BVNOQSLCRAKZKI-AWEZNQCLSA-N	0	3	306.410	0.724	10	70		DCIEHN
CCn1cnnc1[C@@H]1CCCN(CCC(=O)N2CCOCC2)C1	ZINC000161269504	416011103	/nfs/dbraw/zinc/01/11/03/416011103.db2.gz	UHYKCEVJHPMQAW-CQSZACIVSA-N	0	3	321.425	0.726	10	70		DCIEHN
COC[C@H](O)CCNC(=O)c1ccccc1OCCN(C)C	ZINC000161339138	522776919	/nfs/dbraw/zinc/77/69/19/522776919.db2.gz	LSSAWNWJRCUVCS-CYBMUJFWSA-N	0	3	310.394	0.754	10	70		DCIEHN
C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCO[C@H](CN(C)C)C1	ZINC000160448456	158354357	/nfs/dbraw/zinc/35/43/57/158354357.db2.gz	CHQJPDUFRHHQGL-CZUORRHYSA-N	0	3	322.405	0.735	10	70		DCIEHN
CS(=O)(=O)N1CCC[C@H](CN2CCC(OCCO)CC2)C1	ZINC000160437007	158354527	/nfs/dbraw/zinc/35/45/27/158354527.db2.gz	BZOHWMKSNAPODT-CYBMUJFWSA-N	0	3	320.455	0.131	10	70		DCIEHN
O=C(N[C@H]1CCc2ncnn2C1)N1CC[C@H](N2CCCC2)C1	ZINC000161128710	284239900	/nfs/dbraw/zinc/23/99/00/284239900.db2.gz	LOVIYHCCRPNTHE-STQMWFEESA-N	0	3	304.398	0.473	10	70		DCIEHN
CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C	ZINC000161130497	158355224	/nfs/dbraw/zinc/35/52/24/158355224.db2.gz	RMIUSCAYQUXYAH-QWHCGFSZSA-N	0	3	319.471	0.503	10	70		DCIEHN
CC[C@@H](C)[C@@H](N)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1	ZINC000160719780	158355798	/nfs/dbraw/zinc/35/57/98/158355798.db2.gz	LMEUBJDZQGDCEW-BXUZGUMPSA-N	0	3	323.397	0.054	10	70		DCIEHN
O=C1CNC(=O)N1CCN1CC[C@@H](CNc2ccccn2)C1	ZINC000160906389	416008656	/nfs/dbraw/zinc/00/86/56/416008656.db2.gz	KOFPKAHMRUQCRD-LBPRGKRZSA-N	0	3	303.366	0.367	10	70		DCIEHN
Cc1cc(S(=O)(=O)NC[C@](C)(O)CN(C)C)c(C)s1	ZINC000161480412	416013246	/nfs/dbraw/zinc/01/32/46/416013246.db2.gz	OGQIDNABQBBRQJ-LBPRGKRZSA-N	0	3	306.453	0.956	10	70		DCIEHN
O=C(NC[C@H](O)CN1CCCCC1)c1ccc2c(c1)OCO2	ZINC000160253781	526572951	/nfs/dbraw/zinc/57/29/51/526572951.db2.gz	QDEUOEAQLWWPQP-ZDUSSCGKSA-N	0	3	306.362	0.992	10	70		DCIEHN
CN(C)CCNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000217287242	395838700	/nfs/dbraw/zinc/83/87/00/395838700.db2.gz	AXCRXWKJZGOQDU-AWEZNQCLSA-N	0	3	304.394	0.648	10	70		DCIEHN
C[C@H](Oc1cccc(CO)c1)C(=O)N1CCO[C@@H](CN(C)C)C1	ZINC000160448582	158354145	/nfs/dbraw/zinc/35/41/45/158354145.db2.gz	CHQJPDUFRHHQGL-BBRMVZONSA-N	0	3	322.405	0.735	10	70		DCIEHN
Cc1cccc(NC[C@H]2CCN(CCN3C(=O)CNC3=O)C2)n1	ZINC000160912462	416008382	/nfs/dbraw/zinc/00/83/82/416008382.db2.gz	DSKCGFSNAUTFBO-CYBMUJFWSA-N	0	3	317.393	0.676	10	70		DCIEHN
C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](O)CN1CCCCC1	ZINC000160005211	237081048	/nfs/dbraw/zinc/08/10/48/237081048.db2.gz	NRDYOJLTNWTJTL-CHWSQXEVSA-N	0	3	323.393	0.361	10	70		DCIEHN
CCc1noc(C)c1NC(=O)C(=O)N1CCO[C@@H](CN(C)C)C1	ZINC000160957262	416011877	/nfs/dbraw/zinc/01/18/77/416011877.db2.gz	RSBYGUSAGOPJNN-NSHDSACASA-N	0	3	324.381	0.273	10	70		DCIEHN
CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1	ZINC000159928136	291236978	/nfs/dbraw/zinc/23/69/78/291236978.db2.gz	UGWTUUGBCFOCPW-GHMZBOCLSA-N	0	3	316.365	0.762	10	70		DCIEHN
CS(=O)(=O)N1CCC[C@@H](CN2CCC(OCCO)CC2)C1	ZINC000160437156	158354898	/nfs/dbraw/zinc/35/48/98/158354898.db2.gz	BZOHWMKSNAPODT-ZDUSSCGKSA-N	0	3	320.455	0.131	10	70		DCIEHN
Cc1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCCCC2)cn1	ZINC000160040418	525005179	/nfs/dbraw/zinc/00/51/79/525005179.db2.gz	DCORNQHLNDOZRD-CQSZACIVSA-N	0	3	320.393	0.292	10	70		DCIEHN
CCN(C)S(=O)(=O)N(C)CC1CCN(C[C@@H](C)O)CC1	ZINC000161471226	527848010	/nfs/dbraw/zinc/84/80/10/527848010.db2.gz	AVDPGATYZQJGBV-GFCCVEGCSA-N	0	3	307.460	0.208	10	70		DCIEHN
CCn1cc(C2CCN(CCN3C(=O)CNC3=O)CC2)cn1	ZINC000160472560	523356398	/nfs/dbraw/zinc/35/63/98/523356398.db2.gz	LAZZICURMWXDCT-UHFFFAOYSA-N	0	3	305.382	0.634	10	70		DCIEHN
O=C(NCCc1cscn1)NC[C@H](O)CN1CCCCC1	ZINC000159548436	291235362	/nfs/dbraw/zinc/23/53/62/291235362.db2.gz	VYXSQUXJHACGLP-ZDUSSCGKSA-N	0	3	312.439	0.832	10	70		DCIEHN
COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](N(C)C)C1)CC2	ZINC000160800357	158356322	/nfs/dbraw/zinc/35/63/22/158356322.db2.gz	FEUFUFUBDSMOLT-VXGBXAGGSA-N	0	3	322.413	0.085	10	70		DCIEHN
O=C(N[C@@H]1CCc2ncnn2C1)N1CC[C@H](N2CCCC2)C1	ZINC000161128611	279922644	/nfs/dbraw/zinc/92/26/44/279922644.db2.gz	LOVIYHCCRPNTHE-OLZOCXBDSA-N	0	3	304.398	0.473	10	70		DCIEHN
COC[C@H](C)S(=O)(=O)N(C)CC1CCN(C[C@H](C)O)CC1	ZINC000161448238	237096270	/nfs/dbraw/zinc/09/62/70/237096270.db2.gz	GRTMYXJHSBNOBS-STQMWFEESA-N	0	3	322.471	0.376	10	70		DCIEHN
C[C@@H](Oc1cccnc1)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160007904	525965473	/nfs/dbraw/zinc/96/54/73/525965473.db2.gz	UUTPCFDERRWORX-KGLIPLIRSA-N	0	3	307.394	0.812	10	70		DCIEHN
O=C(Cc1ccc2c(c1)OCO2)NC[C@H](O)CN1CCCCC1	ZINC000160391008	527252928	/nfs/dbraw/zinc/25/29/28/527252928.db2.gz	YCFQTQWSOUGLBE-AWEZNQCLSA-N	0	3	320.389	0.921	10	70		DCIEHN
O=C1CCC(=O)N1CCN1CC[C@@H](CNc2ccccn2)C1	ZINC000160906131	416009128	/nfs/dbraw/zinc/00/91/28/416009128.db2.gz	HWHCXKWHSWOFJK-ZDUSSCGKSA-N	0	3	302.378	0.964	10	70		DCIEHN
COCCN1CCC[C@H]1CNC(=O)N1CCC([C@@H](C)O)CC1	ZINC000159552816	523831084	/nfs/dbraw/zinc/83/10/84/523831084.db2.gz	LSULASOSTQDGOL-HIFRSBDPSA-N	0	3	313.442	0.900	10	70		DCIEHN
NC(=O)c1cccc(C(=O)NC[C@H](O)CN2CCCCC2)c1	ZINC000160475689	527076046	/nfs/dbraw/zinc/07/60/46/527076046.db2.gz	NFZIIGYQEYZMRJ-AWEZNQCLSA-N	0	3	305.378	0.362	10	70		DCIEHN
C[C@@H]1CC[C@@H](C(N)=O)CN1CCN1C(=O)NC2(CCCC2)C1=O	ZINC000160533246	396074169	/nfs/dbraw/zinc/07/41/69/396074169.db2.gz	XIHHCNIWMORWJO-VXGBXAGGSA-N	0	3	322.409	0.437	10	70		DCIEHN
CC(C)CC(=O)NCCC(=O)NC[C@H](O)CN1CCCCC1	ZINC000160533249	527661442	/nfs/dbraw/zinc/66/14/42/527661442.db2.gz	AEJOPCNEFZIHSO-AWEZNQCLSA-N	0	3	313.442	0.502	10	70		DCIEHN
C[C@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(N)=O	ZINC000159951865	291236998	/nfs/dbraw/zinc/23/69/98/291236998.db2.gz	CKCNIAPXLUJRCY-UWVGGRQHSA-N	0	3	302.338	0.501	10	70		DCIEHN
CCc1nnc(CN2CCCC[C@H](N3CCN(C)CC3)C2)[nH]1	ZINC000159377917	396067691	/nfs/dbraw/zinc/06/76/91/396067691.db2.gz	KETAESUOTKKIJO-AWEZNQCLSA-N	0	3	306.458	0.969	10	70		DCIEHN
C[C@H]1CC[C@H](C(N)=O)CN1CCN1C(=O)NC2(CCCC2)C1=O	ZINC000160533123	396074243	/nfs/dbraw/zinc/07/42/43/396074243.db2.gz	XIHHCNIWMORWJO-RYUDHWBXSA-N	0	3	322.409	0.437	10	70		DCIEHN
CN(C)S(=O)(=O)CCCN1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000161145616	282153768	/nfs/dbraw/zinc/15/37/68/282153768.db2.gz	FORTYSRSHCXAKR-KGLIPLIRSA-N	0	3	304.456	0.895	10	70		DCIEHN
COCCC1(CNC(=O)NC[C@@H](O)CN2CCCCC2)CC1	ZINC000161146379	533198763	/nfs/dbraw/zinc/19/87/63/533198763.db2.gz	JBFMYNFFGROZQV-CQSZACIVSA-N	0	3	313.442	0.949	10	70		DCIEHN
COC(=O)c1[nH]c(C)c(C(=O)N2CCO[C@H](CN(C)C)C2)c1C	ZINC000160971842	524022357	/nfs/dbraw/zinc/02/23/57/524022357.db2.gz	WGBUSXSCJWTIMB-GFCCVEGCSA-N	0	3	323.393	0.821	10	70		DCIEHN
Cc1cc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)c(C)s1	ZINC000161480541	416012980	/nfs/dbraw/zinc/01/29/80/416012980.db2.gz	OGQIDNABQBBRQJ-GFCCVEGCSA-N	0	3	306.453	0.956	10	70		DCIEHN
CC(C)CCn1cc(C(=O)NC[C@H](O)CN2CCCCC2)nn1	ZINC000160262364	527877457	/nfs/dbraw/zinc/87/74/57/527877457.db2.gz	BDROHXZGLWVBAC-AWEZNQCLSA-N	0	3	323.441	0.901	10	70		DCIEHN
Cc1cnn(-c2ccc(NC(=O)[C@@H]3C[C@@H](O)CN3)cc2F)c1	ZINC000159776921	396070685	/nfs/dbraw/zinc/07/06/85/396070685.db2.gz	QQQOOXWDOFALKK-YPMHNXCESA-N	0	3	304.325	0.981	10	70		DCIEHN
CC[C@H](C)[C@@H](N)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1	ZINC000160719912	158355398	/nfs/dbraw/zinc/35/53/98/158355398.db2.gz	LMEUBJDZQGDCEW-SMDDNHRTSA-N	0	3	323.397	0.054	10	70		DCIEHN
CCc1noc(C)c1NC(=O)C(=O)N1CCO[C@H](CN(C)C)C1	ZINC000160957122	416010733	/nfs/dbraw/zinc/01/07/33/416010733.db2.gz	RSBYGUSAGOPJNN-LLVKDONJSA-N	0	3	324.381	0.273	10	70		DCIEHN
CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H](N(C)C)C2)c1CC	ZINC000160450458	522126191	/nfs/dbraw/zinc/12/61/91/522126191.db2.gz	ZVNOOVMGMMJYNT-LLVKDONJSA-N	0	3	321.425	0.740	10	70		DCIEHN
CCn1nnnc1-c1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2)c1	ZINC000159585360	523769838	/nfs/dbraw/zinc/76/98/38/523769838.db2.gz	UFWQUTOSCQKWQD-NEPJUHHUSA-N	0	3	302.338	0.021	10	70		DCIEHN
CCOC(=O)CCS(=O)(=O)NC[C@H]1CCCN1CC(C)C	ZINC000160309363	528743668	/nfs/dbraw/zinc/74/36/68/528743668.db2.gz	LBHNPUCJFBOYRK-CYBMUJFWSA-N	0	3	320.455	0.979	10	70		DCIEHN
CC(C)CN(CCN(C)C)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161174900	416011456	/nfs/dbraw/zinc/01/14/56/416011456.db2.gz	FXZUBCHEIJIGDV-ZDUSSCGKSA-N	0	3	308.430	0.822	10	70		DCIEHN
COC(=O)c1[nH]c(C)c(C(=O)N2CCO[C@@H](CN(C)C)C2)c1C	ZINC000160971975	524021822	/nfs/dbraw/zinc/02/18/22/524021822.db2.gz	WGBUSXSCJWTIMB-LBPRGKRZSA-N	0	3	323.393	0.821	10	70		DCIEHN
C[C@H](Oc1cccnc1)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160007757	525969489	/nfs/dbraw/zinc/96/94/89/525969489.db2.gz	UUTPCFDERRWORX-KBPBESRZSA-N	0	3	307.394	0.812	10	70		DCIEHN
Cc1cnn(-c2ccc(NC(=O)[C@@H]3C[C@H](O)CN3)cc2F)c1	ZINC000159776665	396070599	/nfs/dbraw/zinc/07/05/99/396070599.db2.gz	QQQOOXWDOFALKK-AAEUAGOBSA-N	0	3	304.325	0.981	10	70		DCIEHN
CCn1cnnc1[C@@H]1CCCN(CCC(=O)NC(=O)NC)C1	ZINC000161413877	416013743	/nfs/dbraw/zinc/01/37/43/416013743.db2.gz	QAONOBPJVBMVMX-LLVKDONJSA-N	0	3	308.386	0.323	10	70		DCIEHN
C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160004921	237079527	/nfs/dbraw/zinc/07/95/27/237079527.db2.gz	NRDYOJLTNWTJTL-OLZOCXBDSA-N	0	3	323.393	0.361	10	70		DCIEHN
O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(C2CCCC2)CC1	ZINC000160982419	284120103	/nfs/dbraw/zinc/12/01/03/284120103.db2.gz	ZUISPIISXWPYPX-CYBMUJFWSA-N	0	3	318.425	0.863	10	70		DCIEHN
O=C(N[C@H]1CCc2ncnn2C1)N1CCN(C2CCCC2)CC1	ZINC000160982545	284240175	/nfs/dbraw/zinc/24/01/75/284240175.db2.gz	ZUISPIISXWPYPX-ZDUSSCGKSA-N	0	3	318.425	0.863	10	70		DCIEHN
CNC(=O)c1cccc(C(=O)NC[C@H](O)CN2CCCCC2)c1	ZINC000160413151	521864378	/nfs/dbraw/zinc/86/43/78/521864378.db2.gz	YTMZAKVHLZSAQG-HNNXBMFYSA-N	0	3	319.405	0.623	10	70		DCIEHN
CC(C)(C)C(=O)NCCC(=O)NC[C@H](O)CN1CCCCC1	ZINC000160697832	527587111	/nfs/dbraw/zinc/58/71/11/527587111.db2.gz	LAIKAXHRQUBJRQ-ZDUSSCGKSA-N	0	3	313.442	0.502	10	70		DCIEHN
COCCC1(CNC(=O)NC[C@H](O)CN2CCCCC2)CC1	ZINC000161146253	237089705	/nfs/dbraw/zinc/08/97/05/237089705.db2.gz	JBFMYNFFGROZQV-AWEZNQCLSA-N	0	3	313.442	0.949	10	70		DCIEHN
O=C(CNC(=O)c1cccnc1)N1CC[C@H](N2CCCC2)C1	ZINC000161342266	416013659	/nfs/dbraw/zinc/01/36/59/416013659.db2.gz	HQQFTPPNHMHOLI-AWEZNQCLSA-N	0	3	302.378	0.508	10	70		DCIEHN
Cc1ccc(NC(=O)C(=O)NC[C@H](O)CN2CCCCC2)cn1	ZINC000160040309	525005507	/nfs/dbraw/zinc/00/55/07/525005507.db2.gz	DCORNQHLNDOZRD-AWEZNQCLSA-N	0	3	320.393	0.292	10	70		DCIEHN
COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@H](N(C)C)C1)CC2	ZINC000160800731	416009077	/nfs/dbraw/zinc/00/90/77/416009077.db2.gz	FEUFUFUBDSMOLT-RYUDHWBXSA-N	0	3	322.413	0.085	10	70		DCIEHN
C[C@@H](N[C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(N)=O	ZINC000159952262	291237116	/nfs/dbraw/zinc/23/71/16/291237116.db2.gz	CKCNIAPXLUJRCY-NXEZZACHSA-N	0	3	302.338	0.501	10	70		DCIEHN
CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161174786	416010714	/nfs/dbraw/zinc/01/07/14/416010714.db2.gz	FXZUBCHEIJIGDV-CYBMUJFWSA-N	0	3	308.430	0.822	10	70		DCIEHN
CCn1nnnc1-c1cccc(NC(=O)[C@@H]2C[C@H](O)CN2)c1	ZINC000159585114	523770313	/nfs/dbraw/zinc/77/03/13/523770313.db2.gz	UFWQUTOSCQKWQD-RYUDHWBXSA-N	0	3	302.338	0.021	10	70		DCIEHN
C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)CCCF)CC1	ZINC000161429456	533666324	/nfs/dbraw/zinc/66/63/24/533666324.db2.gz	UKUAGTSHGNISFG-GFCCVEGCSA-N	0	3	310.435	0.700	10	70		DCIEHN
O=C(NCC1CCN(CCO)CC1)c1cccc2c1OCO2	ZINC000160583992	158354270	/nfs/dbraw/zinc/35/42/70/158354270.db2.gz	MLWMQHJJMCQUAH-UHFFFAOYSA-N	0	3	306.362	0.849	10	70		DCIEHN
CCN(CC)S(=O)(=O)CC(=O)N[C@H]1CN(C(C)C)C[C@@H]1C	ZINC000161130629	158356364	/nfs/dbraw/zinc/35/63/64/158356364.db2.gz	RMIUSCAYQUXYAH-STQMWFEESA-N	0	3	319.471	0.503	10	70		DCIEHN
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)[N-]C1=O	ZINC000160446594	545862403	/nfs/dbraw/zinc/86/24/03/545862403.db2.gz	CLFDDMRIXSWBBG-VXGBXAGGSA-N	0	3	310.398	0.211	10	70		DCIEHN
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)[N-]C1=O	ZINC000160446594	545862418	/nfs/dbraw/zinc/86/24/18/545862418.db2.gz	CLFDDMRIXSWBBG-VXGBXAGGSA-N	0	3	310.398	0.211	10	70		DCIEHN
O=C(NC[C@H](O)CN1CCCCC1)c1n[nH]c2c1CCCC2	ZINC000160396987	396074580	/nfs/dbraw/zinc/07/45/80/396074580.db2.gz	RJVXWNYWDMRBEX-LBPRGKRZSA-N	0	3	306.410	0.865	10	70		DCIEHN
CN(C)C[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)CCO1	ZINC000160537337	416008583	/nfs/dbraw/zinc/00/85/83/416008583.db2.gz	KGKXIEZKHJFEFB-GFCCVEGCSA-N	0	3	303.366	0.371	10	70		DCIEHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1	ZINC000161342729	416012745	/nfs/dbraw/zinc/01/27/45/416012745.db2.gz	QGANTAXXTQALRH-BZPMIXESSA-N	0	3	319.409	0.608	10	70		DCIEHN
Cc1ccn2ncc(C(=O)NC[C@H](O)CN3CCCCC3)c2n1	ZINC000159916447	281443451	/nfs/dbraw/zinc/44/34/51/281443451.db2.gz	SNINPRVVMMCSCD-ZDUSSCGKSA-N	0	3	317.393	0.614	10	70		DCIEHN
CC(C)CN1CCC[C@@H]1CNS(=O)(=O)N1CCOCC1	ZINC000160273383	158352814	/nfs/dbraw/zinc/35/28/14/158352814.db2.gz	QBEDJWINZOAIAY-CYBMUJFWSA-N	0	3	305.444	0.273	10	70		DCIEHN
C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160350811	299025466	/nfs/dbraw/zinc/02/54/66/299025466.db2.gz	VOBCPVBJDHMEOX-STQMWFEESA-N	0	3	313.442	0.500	10	70		DCIEHN
C[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160004779	533762195	/nfs/dbraw/zinc/76/21/95/533762195.db2.gz	NRDYOJLTNWTJTL-STQMWFEESA-N	0	3	323.393	0.361	10	70		DCIEHN
CN(C)C[C@@](C)(O)CNS(=O)(=O)c1cccc2ncccc21	ZINC000161411928	237096036	/nfs/dbraw/zinc/09/60/36/237096036.db2.gz	SXFMTPRWRKSTEX-HNNXBMFYSA-N	0	3	323.418	0.826	10	70		DCIEHN
COC(=O)[C@H](C)CS(=O)(=O)NC[C@H]1CCCN1CC(C)C	ZINC000160291048	284259059	/nfs/dbraw/zinc/25/90/59/284259059.db2.gz	OYKBZKORZDIRPJ-CHWSQXEVSA-N	0	3	320.455	0.835	10	70		DCIEHN
CC(=O)c1cc(C(=O)NC[C@H](O)CN2CCCCC2)n(C)c1	ZINC000160551158	518267044	/nfs/dbraw/zinc/26/70/44/518267044.db2.gz	GNKHFLAZLJAOCH-AWEZNQCLSA-N	0	3	307.394	0.804	10	70		DCIEHN
CCC[C@@H](C(=O)N1CCN(CC(=O)NC2CC2)CC1)N(C)C	ZINC000161281384	291240946	/nfs/dbraw/zinc/24/09/46/291240946.db2.gz	DYNNAZIRNBMXSE-AWEZNQCLSA-N	0	3	310.442	0.140	10	70		DCIEHN
O=C1CCC(=O)N1CCN1CC[C@H](CNc2ccccn2)C1	ZINC000160906253	416009550	/nfs/dbraw/zinc/00/95/50/416009550.db2.gz	HWHCXKWHSWOFJK-CYBMUJFWSA-N	0	3	302.378	0.964	10	70		DCIEHN
O=C(NCCc1cscn1)NC[C@@H](O)CN1CCCCC1	ZINC000159548572	291235437	/nfs/dbraw/zinc/23/54/37/291235437.db2.gz	VYXSQUXJHACGLP-CYBMUJFWSA-N	0	3	312.439	0.832	10	70		DCIEHN
C[C@H](Oc1cccc(CO)c1)C(=O)N1CCO[C@H](CN(C)C)C1	ZINC000160448313	158354688	/nfs/dbraw/zinc/35/46/88/158354688.db2.gz	CHQJPDUFRHHQGL-XJKSGUPXSA-N	0	3	322.405	0.735	10	70		DCIEHN
O=C(NCC1CCN(CCO)CC1)c1ccc2c(c1)OCO2	ZINC000160718978	158356443	/nfs/dbraw/zinc/35/64/43/158356443.db2.gz	KBFKLFUKLHRIMG-UHFFFAOYSA-N	0	3	306.362	0.849	10	70		DCIEHN
CCn1cnnc1[C@H]1CCCN(CCC(=O)NC(=O)NC)C1	ZINC000161413962	416012440	/nfs/dbraw/zinc/01/24/40/416012440.db2.gz	QAONOBPJVBMVMX-NSHDSACASA-N	0	3	308.386	0.323	10	70		DCIEHN
C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160350939	237081710	/nfs/dbraw/zinc/08/17/10/237081710.db2.gz	VOBCPVBJDHMEOX-OLZOCXBDSA-N	0	3	313.442	0.500	10	70		DCIEHN
Cc1cccc(NC[C@@H]2CCN(CCN3C(=O)CNC3=O)C2)n1	ZINC000160912352	416008959	/nfs/dbraw/zinc/00/89/59/416008959.db2.gz	DSKCGFSNAUTFBO-ZDUSSCGKSA-N	0	3	317.393	0.676	10	70		DCIEHN
CC(C)CN1CCC[C@@H]1CNS(=O)(=O)c1cnn(C)c1	ZINC000160305058	158354986	/nfs/dbraw/zinc/35/49/86/158354986.db2.gz	MWGRSGKYPQGMKS-GFCCVEGCSA-N	0	3	300.428	0.819	10	70		DCIEHN
COC[C@@H](O)CCNC(=O)c1ccccc1OCCN(C)C	ZINC000161339027	522394338	/nfs/dbraw/zinc/39/43/38/522394338.db2.gz	LSSAWNWJRCUVCS-ZDUSSCGKSA-N	0	3	310.394	0.754	10	70		DCIEHN
Cc1[nH]ncc1CN1CCN(S(=O)(=O)c2cccnc2)CC1	ZINC000159914360	396071395	/nfs/dbraw/zinc/07/13/95/396071395.db2.gz	BJMYZJUVUFHCJS-UHFFFAOYSA-N	0	3	321.406	0.620	10	70		DCIEHN
O=C(N[C@@H]1CCc2ncnn2C1)N1CC[C@@H](N2CCCC2)C1	ZINC000161128814	416010530	/nfs/dbraw/zinc/01/05/30/416010530.db2.gz	LOVIYHCCRPNTHE-CHWSQXEVSA-N	0	3	304.398	0.473	10	70		DCIEHN
Cc1nn(C)c(C)c1OCC(=O)NC[C@H](O)CN1CCCCC1	ZINC000160282193	527653475	/nfs/dbraw/zinc/65/34/75/527653475.db2.gz	WHULNKRBIABGCI-AWEZNQCLSA-N	0	3	324.425	0.379	10	70		DCIEHN
O=C(N[C@H]1CCc2ncnn2C1)N1CC[C@@H](N2CCCC2)C1	ZINC000161128940	416011801	/nfs/dbraw/zinc/01/18/01/416011801.db2.gz	LOVIYHCCRPNTHE-QWHCGFSZSA-N	0	3	304.398	0.473	10	70		DCIEHN
Cn1nnc2cc(C(=O)NC[C@H](O)CN3CCCCC3)ccc21	ZINC000160538879	527645050	/nfs/dbraw/zinc/64/50/50/527645050.db2.gz	LXICBCMZRLMENZ-ZDUSSCGKSA-N	0	3	317.393	0.545	10	70		DCIEHN
COC[C@H](C)S(=O)(=O)N(C)CC1CCN(C[C@@H](C)O)CC1	ZINC000161448363	237094390	/nfs/dbraw/zinc/09/43/90/237094390.db2.gz	GRTMYXJHSBNOBS-OLZOCXBDSA-N	0	3	322.471	0.376	10	70		DCIEHN
C[C@@H]1CC[C@H](C(N)=O)CN1CCN1C(=O)NC2(CCCC2)C1=O	ZINC000160532985	396074547	/nfs/dbraw/zinc/07/45/47/396074547.db2.gz	XIHHCNIWMORWJO-NEPJUHHUSA-N	0	3	322.409	0.437	10	70		DCIEHN
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