smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc([C@@H](C)NCc2nc(C)ccc2[O-])c1	ZINC000160148236	372219099	/nfs/dbraw/zinc/21/90/99/372219099.db2.gz	GZEZHZRZIOFHAP-CYBMUJFWSA-N	0	3	256.349	3.255	10	70		CGIEHN
Cc1cccc([C@@H](C)NCc2nc(C)ccc2O)c1	ZINC000160148236	372219104	/nfs/dbraw/zinc/21/91/04/372219104.db2.gz	GZEZHZRZIOFHAP-CYBMUJFWSA-N	0	3	256.349	3.255	10	70		CGIEHN
Cc1cccc([C@@H](C)[NH2+]Cc2nc(C)ccc2[O-])c1	ZINC000160148236	372219109	/nfs/dbraw/zinc/21/91/09/372219109.db2.gz	GZEZHZRZIOFHAP-CYBMUJFWSA-N	0	3	256.349	3.255	10	70		CGIEHN
CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C)c2ccccc21	ZINC000159590034	372159343	/nfs/dbraw/zinc/15/93/43/372159343.db2.gz	FRZABXNXTRJXKT-XJKSGUPXSA-N	0	3	274.408	3.081	10	70		CGIEHN
COc1cccc(CCCN2CCC[C@@H]2c2cnn(C)c2)c1	ZINC000160520298	372253624	/nfs/dbraw/zinc/25/36/24/372253624.db2.gz	XHESOWXQRCXZTI-GOSISDBHSA-N	0	3	299.418	3.198	10	70		CGIEHN
Cc1cccc(CN2CCC(c3cc[nH]n3)CC2)c1	ZINC000160537798	524390936	/nfs/dbraw/zinc/39/09/36/524390936.db2.gz	DBMBUEUZXUPRCB-UHFFFAOYSA-N	0	3	255.365	3.098	10	70		CGIEHN
CCC[C@@H](C(=O)N[C@@H](C)c1cc(C)sc1C)N(C)C	ZINC000161504903	372328593	/nfs/dbraw/zinc/32/85/93/372328593.db2.gz	AYCNXGOIPWXLEF-FZMZJTMJSA-N	0	3	282.453	3.272	10	70		CGIEHN
CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21	ZINC000159589900	372159766	/nfs/dbraw/zinc/15/97/66/372159766.db2.gz	FRZABXNXTRJXKT-CZUORRHYSA-N	0	3	274.408	3.081	10	70		CGIEHN
CC(C)C[C@H](CN(C)C)NCc1ccc([C@H]2C[C@@H]2C)o1	ZINC000217682051	270085200	/nfs/dbraw/zinc/08/52/00/270085200.db2.gz	ZUTLWJKXYYWXRJ-LZWOXQAQSA-N	0	3	278.440	3.469	10	70		CGIEHN
C[C@@H]1CC[C@@H](NC(=O)C2CCN(C)CC2)c2ccccc21	ZINC000159580006	278584843	/nfs/dbraw/zinc/58/48/43/278584843.db2.gz	YZWCVTKEFLHOEN-CXAGYDPISA-N	0	3	286.419	3.083	10	70		CGIEHN
CC[C@H](C(=O)N[C@H]1CC[C@H](C)c2ccccc21)N(C)C	ZINC000159785832	321840752	/nfs/dbraw/zinc/84/07/52/321840752.db2.gz	NEBSOAJXBKFSGD-VBNZEHGJSA-N	0	3	274.408	3.081	10	70		CGIEHN
CCC[C@H](C(=O)N[C@@H](C)c1cccc(C)c1C)N(C)C	ZINC000160090477	372210050	/nfs/dbraw/zinc/21/00/50/372210050.db2.gz	SGMRJXMVIAHUEO-GOEBONIOSA-N	0	3	276.424	3.211	10	70		CGIEHN
CCn1cnnc1[C@H]1CCCN(C/C=C/c2ccccc2)C1	ZINC000161414814	523603942	/nfs/dbraw/zinc/60/39/42/523603942.db2.gz	FOLJWUBXFXAEBY-BHMZLHOFSA-N	0	3	296.418	3.191	10	70		CGIEHN
CCn1cc(C2CCN(Cc3cccc(F)c3)CC2)cn1	ZINC000160462200	372249177	/nfs/dbraw/zinc/24/91/77/372249177.db2.gz	PFRFMKNWCWGAHZ-UHFFFAOYSA-N	0	3	287.382	3.422	10	70		CGIEHN
C[C@@H]1CC[C@H](NC(=O)C2CCN(C)CC2)c2ccccc21	ZINC000159579730	278606212	/nfs/dbraw/zinc/60/62/12/278606212.db2.gz	YZWCVTKEFLHOEN-DYVFJYSZSA-N	0	3	286.419	3.083	10	70		CGIEHN
Cc1csc([C@@H]2CCCN(CCOCC3CC3)C2)n1	ZINC000159996613	232242903	/nfs/dbraw/zinc/24/29/03/232242903.db2.gz	QARNEAVMIRKYQM-CQSZACIVSA-N	0	3	280.437	3.058	10	70		CGIEHN
CCc1ccc([C@H](C)NC[C@@H]2CCCC[C@@H]2O)o1	ZINC000160656615	372266556	/nfs/dbraw/zinc/26/65/56/372266556.db2.gz	PFAUQXISEAEVDM-OBJOEFQTSA-N	0	3	251.370	3.044	10	70		CGIEHN
CCC[C@H](C(=O)N(C)Cc1ccc(Cl)cc1)N(C)C	ZINC000161220181	372311617	/nfs/dbraw/zinc/31/16/17/372311617.db2.gz	XMHZZHPFZVVYLL-CQSZACIVSA-N	0	3	282.815	3.029	10	70		CGIEHN
C[C@H](N[C@@H]1CCC[C@@H](O)C1)c1ccccc1OC(F)F	ZINC000217674045	572396804	/nfs/dbraw/zinc/39/68/04/572396804.db2.gz	SSAMLPDMMMWLQM-QJPTWQEYSA-N	0	3	285.334	3.242	10	70		CGIEHN
C[C@@H](N[C@H]1C[C@@H](C)CC(C)(C)C1)c1nnc2n1CCC2	ZINC000218163332	376184368	/nfs/dbraw/zinc/18/43/68/376184368.db2.gz	FDSBNAIMDHQINY-UPJWGTAASA-N	0	3	276.428	3.090	10	70		CGIEHN
CC(C)c1nc(CN2CCC(c3ccn[nH]3)CC2)cs1	ZINC000160550501	519862507	/nfs/dbraw/zinc/86/25/07/519862507.db2.gz	IOZVGTIOQQWDGI-UHFFFAOYSA-N	0	3	290.436	3.369	10	70		CGIEHN
CCC[C@@H](C(=O)NCc1ccc2ccccc2c1)N(C)C	ZINC000159782237	372179396	/nfs/dbraw/zinc/17/93/96/372179396.db2.gz	JFGOKKHAFFQULP-KRWDZBQOSA-N	0	3	284.403	3.186	10	70		CGIEHN
CCC[C@@H](C(=O)N[C@@H]1CCSc2ccccc21)N(C)C	ZINC000161037042	372296320	/nfs/dbraw/zinc/29/63/20/372296320.db2.gz	WPHPKIFRVNVVJB-KGLIPLIRSA-N	0	3	292.448	3.070	10	70		CGIEHN
C[C@H](N[C@H]1CCC[C@@H](O)C1)c1cc2ccccc2o1	ZINC000217646553	572395574	/nfs/dbraw/zinc/39/55/74/572395574.db2.gz	RMMSNULHHOSKMQ-FPMFFAJLSA-N	0	3	259.349	3.387	10	70		CGIEHN
C[C@@H](N[C@@H]1C[C@@H](C)CC(C)(C)C1)c1nnc2n1CCC2	ZINC000218163282	376185504	/nfs/dbraw/zinc/18/55/04/376185504.db2.gz	FDSBNAIMDHQINY-JHJVBQTASA-N	0	3	276.428	3.090	10	70		CGIEHN
CCOc1ccccc1[C@H](C)N[C@@H]1CCC[C@@H](O)C1	ZINC000217640677	572395716	/nfs/dbraw/zinc/39/57/16/572395716.db2.gz	NGTIPUHUDLIUQK-BFHYXJOUSA-N	0	3	263.381	3.039	10	70		CGIEHN
CCC[C@@H](C(=O)N[C@@H](C)c1ccccc1Cl)N(C)C	ZINC000161233638	520591354	/nfs/dbraw/zinc/59/13/54/520591354.db2.gz	DRENIZGKODVDLS-FZMZJTMJSA-N	0	3	282.815	3.248	10	70		CGIEHN
COc1ccc(C)cc1CN1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000160798373	533386979	/nfs/dbraw/zinc/38/69/79/533386979.db2.gz	LHURAPOZSLMEDS-AEFFLSMTSA-N	0	3	289.419	3.131	10	70		CGIEHN
COc1ccc([C@H]2c3ccccc3CCN2C)cc1	ZINC000217473269	346291044	/nfs/dbraw/zinc/29/10/44/346291044.db2.gz	BROHBYNENSOOKK-KRWDZBQOSA-N	0	3	253.345	3.273	10	70		CGIEHN
Cc1nc(C[C@H]2CCCN(Cc3cccc(C)c3)C2)no1	ZINC000161047148	526922907	/nfs/dbraw/zinc/92/29/07/526922907.db2.gz	HSNDBUJYUCFPKM-MRXNPFEDSA-N	0	3	285.391	3.141	10	70		CGIEHN
CC[C@H](C)[C@@H](N)C(=O)N(C)c1ccc(C(C)C)cc1	ZINC000161460928	372327188	/nfs/dbraw/zinc/32/71/88/372327188.db2.gz	ZARUKFIPDWAOGU-SWLSCSKDSA-N	0	3	262.397	3.146	10	70		CGIEHN
CCC[C@@H](C(=O)N(C)Cc1ccccc1Cl)N(C)C	ZINC000161220581	321864815	/nfs/dbraw/zinc/86/48/15/321864815.db2.gz	QIQJWNQVVKXLHM-AWEZNQCLSA-N	0	3	282.815	3.029	10	70		CGIEHN
CCC[C@H](C(=O)N[C@H](C)c1cc(C)sc1C)N(C)C	ZINC000161505256	372329205	/nfs/dbraw/zinc/32/92/05/372329205.db2.gz	AYCNXGOIPWXLEF-BXUZGUMPSA-N	0	3	282.453	3.272	10	70		CGIEHN
COc1ccc(C)cc1CN1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000160798270	533386620	/nfs/dbraw/zinc/38/66/20/533386620.db2.gz	LHURAPOZSLMEDS-SJLPKXTDSA-N	0	3	289.419	3.131	10	70		CGIEHN
CCOc1ccccc1CN1CCC(c2ccnn2C)CC1	ZINC000160521534	521481698	/nfs/dbraw/zinc/48/16/98/521481698.db2.gz	VTNJEJMCXHFVMH-UHFFFAOYSA-N	0	3	299.418	3.198	10	70		CGIEHN
Cc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1	ZINC000160654503	524441360	/nfs/dbraw/zinc/44/13/60/524441360.db2.gz	MJFDUPIVSQAVGP-UHFFFAOYSA-N	0	3	255.365	3.098	10	70		CGIEHN
CCC[C@@H](C(=O)N[C@@H](C)c1ccc(CC)cc1)N(C)C	ZINC000161239252	321864597	/nfs/dbraw/zinc/86/45/97/321864597.db2.gz	FGNAEELDXAJDLN-BBRMVZONSA-N	0	3	276.424	3.157	10	70		CGIEHN
Cc1nc(C[C@@H]2CCCN(Cc3cccc(C)c3)C2)no1	ZINC000161047244	526920573	/nfs/dbraw/zinc/92/05/73/526920573.db2.gz	HSNDBUJYUCFPKM-INIZCTEOSA-N	0	3	285.391	3.141	10	70		CGIEHN
Cc1csc([C@H]2CCCN(CCOCC3CC3)C2)n1	ZINC000159996754	232243551	/nfs/dbraw/zinc/24/35/51/232243551.db2.gz	QARNEAVMIRKYQM-AWEZNQCLSA-N	0	3	280.437	3.058	10	70		CGIEHN
C[C@H]1OCC[C@H]1NCc1ccc(Cl)c2cccnc12	ZINC000160339303	372239598	/nfs/dbraw/zinc/23/95/98/372239598.db2.gz	FONUJADGZKVXAW-QMTHXVAHSA-N	0	3	276.767	3.155	10	70		CGIEHN
CCOc1ccccc1[C@@H](C)N[C@@H]1CCCN(CC)C1	ZINC000217913497	376181443	/nfs/dbraw/zinc/18/14/43/376181443.db2.gz	DMJQVCODNSLICY-HUUCEWRRSA-N	0	3	276.424	3.220	10	70		CGIEHN
CCC[C@H](C(=O)N[C@H](C)c1ccccc1Cl)N(C)C	ZINC000161233998	520986262	/nfs/dbraw/zinc/98/62/62/520986262.db2.gz	DRENIZGKODVDLS-BXUZGUMPSA-N	0	3	282.815	3.248	10	70		CGIEHN
CCN(CC)CC(=O)N[C@H]1CC[C@H](C)c2ccccc21	ZINC000159460481	321835132	/nfs/dbraw/zinc/83/51/32/321835132.db2.gz	FBZFFMDBGVFVFE-BBRMVZONSA-N	0	3	274.408	3.083	10	70		CGIEHN
COc1cccc2cc([C@H](C)N[C@H]3CCC[C@@H](O)C3)oc21	ZINC000217625942	572395424	/nfs/dbraw/zinc/39/54/24/572395424.db2.gz	JHLIBJNIENYLTK-FPMFFAJLSA-N	0	3	289.375	3.396	10	70		CGIEHN
CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C)c2ccccc21	ZINC000159589766	372159237	/nfs/dbraw/zinc/15/92/37/372159237.db2.gz	FRZABXNXTRJXKT-BBRMVZONSA-N	0	3	274.408	3.081	10	70		CGIEHN
CCSCCN1CCC[C@H](c2nccs2)C1	ZINC000160001718	372203251	/nfs/dbraw/zinc/20/32/51/372203251.db2.gz	ACWLRTGWAPKSJU-NSHDSACASA-N	0	3	256.440	3.076	10	70		CGIEHN
Cc1nc(C[C@H]2CCCN(Cc3ccccc3C)C2)no1	ZINC000161046337	526922681	/nfs/dbraw/zinc/92/26/81/526922681.db2.gz	RBBPUWRHKZCENO-OAHLLOKOSA-N	0	3	285.391	3.141	10	70		CGIEHN
CCN(CC)CC(=O)N[C@@H]1CC[C@H](C)c2ccccc21	ZINC000159460345	372146044	/nfs/dbraw/zinc/14/60/44/372146044.db2.gz	FBZFFMDBGVFVFE-XJKSGUPXSA-N	0	3	274.408	3.083	10	70		CGIEHN
C[C@H](N[C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccco1	ZINC000160216960	372226834	/nfs/dbraw/zinc/22/68/34/372226834.db2.gz	XEXDJDPGNYJVSM-VYDXJSESSA-N	0	3	299.418	3.236	10	70		CGIEHN
CCC[C@H](C(=O)N[C@H]1CCSc2ccccc21)N(C)C	ZINC000161037400	372296484	/nfs/dbraw/zinc/29/64/84/372296484.db2.gz	WPHPKIFRVNVVJB-UONOGXRCSA-N	0	3	292.448	3.070	10	70		CGIEHN
CCC[C@@H](C(=O)N(C)Cc1ccc(Cl)cc1)N(C)C	ZINC000161220047	321864766	/nfs/dbraw/zinc/86/47/66/321864766.db2.gz	XMHZZHPFZVVYLL-AWEZNQCLSA-N	0	3	282.815	3.029	10	70		CGIEHN
CCC[C@H](C(=O)N[C@H](C)c1cccc(C)c1C)N(C)C	ZINC000160090769	372212183	/nfs/dbraw/zinc/21/21/83/372212183.db2.gz	SGMRJXMVIAHUEO-GDBMZVCRSA-N	0	3	276.424	3.211	10	70		CGIEHN
CCn1cc(C2CCN(Cc3ccccc3)CC2)cn1	ZINC000160465012	523355515	/nfs/dbraw/zinc/35/55/15/523355515.db2.gz	ZSGLXQCIKYQGPC-UHFFFAOYSA-N	0	3	269.392	3.283	10	70		CGIEHN
Cc1cccc(CN2CCC(c3ccnn3C)CC2)c1	ZINC000160520608	524389242	/nfs/dbraw/zinc/38/92/42/524389242.db2.gz	UGTWFZDOCARFKN-UHFFFAOYSA-N	0	3	269.392	3.108	10	70		CGIEHN
O[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)c2ccccn2)C1	ZINC000217636438	572395523	/nfs/dbraw/zinc/39/55/23/572395523.db2.gz	QJUCPUNCLCJUJB-JZXOWHBKSA-N	0	3	282.387	3.064	10	70		CGIEHN
CCOc1ccccc1[C@H](C)N[C@H]1CCC[C@@H](O)C1	ZINC000217640833	572395703	/nfs/dbraw/zinc/39/57/03/572395703.db2.gz	NGTIPUHUDLIUQK-MELADBBJSA-N	0	3	263.381	3.039	10	70		CGIEHN
CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C)c2ccccc21	ZINC000159589639	372159837	/nfs/dbraw/zinc/15/98/37/372159837.db2.gz	FRZABXNXTRJXKT-CJNGLKHVSA-N	0	3	274.408	3.081	10	70		CGIEHN
CCc1nc(CN[C@@H]2c3ccccc3CCC2(C)C)n[nH]1	ZINC000160477522	372250684	/nfs/dbraw/zinc/25/06/84/372250684.db2.gz	IUEBMVSJCUWUEG-MRXNPFEDSA-N	0	3	284.407	3.170	10	70		CGIEHN
COc1ccc(Br)c([C@@H]2CCCCN2)c1	ZINC000218718910	392997836	/nfs/dbraw/zinc/99/78/36/392997836.db2.gz	FMHOSDWVTLUQJM-LBPRGKRZSA-N	0	3	270.170	3.272	10	70		CGIEHN
O[C@@H]1CCCC[C@H]1[C@@H]1CCCN1Cc1cc(F)cc(F)c1	ZINC000218731225	392999253	/nfs/dbraw/zinc/99/92/53/392999253.db2.gz	BSTSTAYNXOPDNB-YESZJQIVSA-N	0	3	295.373	3.480	10	70		CGIEHN
c1cc(C2CCN(Cc3cccc4cccnc43)CC2)n[nH]1	ZINC000160535489	526419138	/nfs/dbraw/zinc/41/91/38/526419138.db2.gz	AHWKNUKRPIFAGM-UHFFFAOYSA-N	0	3	292.386	3.338	10	70		CGIEHN
CCCCC[C@H](N)c1cc(OC)c(OC)cc1OC	ZINC000159517279	346167821	/nfs/dbraw/zinc/16/78/21/346167821.db2.gz	RNFFQXPLRONCDR-LBPRGKRZSA-N	0	3	267.369	3.293	10	70		CGIEHN
CCC[C@@H](C(=O)N[C@H](C)c1ccc(CC)cc1)N(C)C	ZINC000161239463	372311103	/nfs/dbraw/zinc/31/11/03/372311103.db2.gz	FGNAEELDXAJDLN-CJNGLKHVSA-N	0	3	276.424	3.157	10	70		CGIEHN
C[C@H]1CC[C@H](NC(=O)C2CCN(C)CC2)c2ccccc21	ZINC000159579855	392581164	/nfs/dbraw/zinc/58/11/64/392581164.db2.gz	YZWCVTKEFLHOEN-GUYCJALGSA-N	0	3	286.419	3.083	10	70		CGIEHN
Cc1ccccc1[C@H](C)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000159604410	525417921	/nfs/dbraw/zinc/41/79/21/525417921.db2.gz	YAWFHGLOPRUUPU-LSDHHAIUSA-N	0	3	298.434	3.376	10	70		CGIEHN
C[C@H](N[C@H]1CCC[C@@H](O)C1)c1ccccc1OC(F)F	ZINC000217674209	572396686	/nfs/dbraw/zinc/39/66/86/572396686.db2.gz	SSAMLPDMMMWLQM-SDDRHHMPSA-N	0	3	285.334	3.242	10	70		CGIEHN
CCCCC[C@@H](N)c1cc(OC)c(OC)cc1OC	ZINC000159517419	346167832	/nfs/dbraw/zinc/16/78/32/346167832.db2.gz	RNFFQXPLRONCDR-GFCCVEGCSA-N	0	3	267.369	3.293	10	70		CGIEHN
c1ccc(C2=CCN(CC3=CCCOC3)CC2)cc1	ZINC000159759017	372176777	/nfs/dbraw/zinc/17/67/77/372176777.db2.gz	FJROFCVORYPOQO-UHFFFAOYSA-N	0	3	255.361	3.122	10	70		CGIEHN
CCC[C@H](C(=O)NCc1ccc2ccccc2c1)N(C)C	ZINC000159782381	321840672	/nfs/dbraw/zinc/84/06/72/321840672.db2.gz	JFGOKKHAFFQULP-QGZVFWFLSA-N	0	3	284.403	3.186	10	70		CGIEHN
CCC1CCC(NC(=O)c2ccc(CN(C)C)cc2)CC1	ZINC000159860579	321841937	/nfs/dbraw/zinc/84/19/37/321841937.db2.gz	LMPUWZLJECVOTC-UHFFFAOYSA-N	0	3	288.435	3.447	10	70		CGIEHN
COc1cccc(CCCN2CCS[C@@H](C)C2)c1	ZINC000160582288	525885177	/nfs/dbraw/zinc/88/51/77/525885177.db2.gz	XBKUHODREKOKLT-ZDUSSCGKSA-N	0	3	265.422	3.065	10	70		CGIEHN
Cc1nc(C[C@@H]2CCCN(Cc3ccccc3C)C2)no1	ZINC000161046462	526920048	/nfs/dbraw/zinc/92/00/48/526920048.db2.gz	RBBPUWRHKZCENO-HNNXBMFYSA-N	0	3	285.391	3.141	10	70		CGIEHN
COc1cccc2cc([C@H](C)N[C@@H]3CCC[C@@H](O)C3)oc21	ZINC000217625779	572395845	/nfs/dbraw/zinc/39/58/45/572395845.db2.gz	JHLIBJNIENYLTK-IACUBPJLSA-N	0	3	289.375	3.396	10	70		CGIEHN
Cc1ccccc1[C@@H](C)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000159604568	372161699	/nfs/dbraw/zinc/16/16/99/372161699.db2.gz	YAWFHGLOPRUUPU-CABCVRRESA-N	0	3	298.434	3.376	10	70		CGIEHN
CCC[C@H](C(=O)NCCc1ccc2ccccc2c1)N(C)C	ZINC000159990530	321844457	/nfs/dbraw/zinc/84/44/57/321844457.db2.gz	QUBQXPLEOAZTJF-GOSISDBHSA-N	0	3	298.430	3.229	10	70		CGIEHN
CCC[C@H](C(=O)N[C@H](C)c1cccc(Cl)c1)N(C)C	ZINC000161235235	321864776	/nfs/dbraw/zinc/86/47/76/321864776.db2.gz	XFGCIWZDXFBEHX-BXUZGUMPSA-N	0	3	282.815	3.248	10	70		CGIEHN
CC(C)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161109285	519732462	/nfs/dbraw/zinc/73/24/62/519732462.db2.gz	MLNVHAHHEARGJN-ZIAGYGMSSA-N	0	3	287.325	3.469	10	70		CGIEHN
CCOc1ccc(CN2CCC(c3ccnn3C)CC2)cc1	ZINC000160650416	520969574	/nfs/dbraw/zinc/96/95/74/520969574.db2.gz	LVDUFKKXVADIRA-UHFFFAOYSA-N	0	3	299.418	3.198	10	70		CGIEHN
C[C@H]1CC[C@@H](NC(=O)C2CCN(C)CC2)c2ccccc21	ZINC000159580135	392580493	/nfs/dbraw/zinc/58/04/93/392580493.db2.gz	YZWCVTKEFLHOEN-SUMWQHHRSA-N	0	3	286.419	3.083	10	70		CGIEHN
COc1ccc([C@@H]2c3ccccc3CCN2C)cc1	ZINC000217473343	346290952	/nfs/dbraw/zinc/29/09/52/346290952.db2.gz	BROHBYNENSOOKK-QGZVFWFLSA-N	0	3	253.345	3.273	10	70		CGIEHN
CC[C@H](C(=O)N[C@@H]1CC[C@H](C)c2ccccc21)N(C)C	ZINC000159785573	372179539	/nfs/dbraw/zinc/17/95/39/372179539.db2.gz	NEBSOAJXBKFSGD-APHBMKBZSA-N	0	3	274.408	3.081	10	70		CGIEHN
CCC[C@@H](C(=O)NCCc1ccc2ccccc2c1)N(C)C	ZINC000159990406	372201811	/nfs/dbraw/zinc/20/18/11/372201811.db2.gz	QUBQXPLEOAZTJF-SFHVURJKSA-N	0	3	298.430	3.229	10	70		CGIEHN
COc1cccc(CCCN2CCC[C@H]2c2cnn(C)c2)c1	ZINC000160520167	372254626	/nfs/dbraw/zinc/25/46/26/372254626.db2.gz	XHESOWXQRCXZTI-SFHVURJKSA-N	0	3	299.418	3.198	10	70		CGIEHN
CCC[C@@H](C(=O)N[C@H](C)c1cccc(Cl)c1)N(C)C	ZINC000161235144	321864532	/nfs/dbraw/zinc/86/45/32/321864532.db2.gz	XFGCIWZDXFBEHX-RISCZKNCSA-N	0	3	282.815	3.248	10	70		CGIEHN
CCC[C@@H](C(=O)N[C@@H](C)c1cccc(C)c1C)N(C)C	ZINC000160090351	372210808	/nfs/dbraw/zinc/21/08/08/372210808.db2.gz	SGMRJXMVIAHUEO-HOCLYGCPSA-N	0	3	276.424	3.211	10	70		CGIEHN
Cc1ccc([C@H](C)N[C@H](C)C(=O)NCC(C)C)c(C)c1	ZINC000159728580	372173483	/nfs/dbraw/zinc/17/34/83/372173483.db2.gz	NSJUNSIMLIDRCI-LSDHHAIUSA-N	0	3	276.424	3.115	10	70		CGIEHN
CCC[C@H](C(=O)N[C@@H](C)c1cc(C)sc1C)N(C)C	ZINC000161505026	372328617	/nfs/dbraw/zinc/32/86/17/372328617.db2.gz	AYCNXGOIPWXLEF-SMDDNHRTSA-N	0	3	282.453	3.272	10	70		CGIEHN
CCC[C@H](C(=O)N[C@H](C)c1ccc(CC)cc1)N(C)C	ZINC000161239599	321865393	/nfs/dbraw/zinc/86/53/93/321865393.db2.gz	FGNAEELDXAJDLN-CZUORRHYSA-N	0	3	276.424	3.157	10	70		CGIEHN
CCc1csc([C@H]2CCCN(CCOCC3CC3)C2)n1	ZINC000160015277	529693191	/nfs/dbraw/zinc/69/31/91/529693191.db2.gz	WTBQDWKJQVDCRV-AWEZNQCLSA-N	0	3	294.464	3.312	10	70		CGIEHN
Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCC(C)C)c(C)c1	ZINC000159728201	372174283	/nfs/dbraw/zinc/17/42/83/372174283.db2.gz	NSJUNSIMLIDRCI-CABCVRRESA-N	0	3	276.424	3.115	10	70		CGIEHN
COc1ccc(Br)c([C@H]2CCCCN2)c1	ZINC000218718990	392998067	/nfs/dbraw/zinc/99/80/67/392998067.db2.gz	FMHOSDWVTLUQJM-GFCCVEGCSA-N	0	3	270.170	3.272	10	70		CGIEHN
CC(C)C[C@H](CN(C)C)NCc1ccc([C@@H]2C[C@@H]2C)o1	ZINC000217681960	270085160	/nfs/dbraw/zinc/08/51/60/270085160.db2.gz	ZUTLWJKXYYWXRJ-SQWLQELKSA-N	0	3	278.440	3.469	10	70		CGIEHN
COC(CN1CCC[C@@H](c2nc(C(C)C)cs2)C1)OC	ZINC000161251270	522531651	/nfs/dbraw/zinc/53/16/51/522531651.db2.gz	LWLJZWQFQPNXNF-GFCCVEGCSA-N	0	3	298.452	3.065	10	70		CGIEHN
CCc1nc(CN[C@H]2c3ccccc3CCC2(C)C)n[nH]1	ZINC000160477654	392582257	/nfs/dbraw/zinc/58/22/57/392582257.db2.gz	IUEBMVSJCUWUEG-INIZCTEOSA-N	0	3	284.407	3.170	10	70		CGIEHN
CCC[C@@H](C(=O)N[C@H](C)c1cc(C)sc1C)N(C)C	ZINC000161505138	188531679	/nfs/dbraw/zinc/53/16/79/188531679.db2.gz	AYCNXGOIPWXLEF-RISCZKNCSA-N	0	3	282.453	3.272	10	70		CGIEHN
Cc1ccccc1[C@@H](C)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000159604284	372160528	/nfs/dbraw/zinc/16/05/28/372160528.db2.gz	YAWFHGLOPRUUPU-HUUCEWRRSA-N	0	3	298.434	3.376	10	70		CGIEHN
Cc1ccccc1[C@H](C)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000159604725	372160571	/nfs/dbraw/zinc/16/05/71/372160571.db2.gz	YAWFHGLOPRUUPU-GJZGRUSLSA-N	0	3	298.434	3.376	10	70		CGIEHN
CC[C@@H](C)[C@@H](N)C(=O)N(C)c1ccc(C(C)C)cc1	ZINC000161460843	372327327	/nfs/dbraw/zinc/32/73/27/372327327.db2.gz	ZARUKFIPDWAOGU-IUODEOHRSA-N	0	3	262.397	3.146	10	70		CGIEHN
CCOc1ccccc1[C@@H](C)N[C@H]1CCCN(CC)C1	ZINC000217913577	376181685	/nfs/dbraw/zinc/18/16/85/376181685.db2.gz	DMJQVCODNSLICY-CABCVRRESA-N	0	3	276.424	3.220	10	70		CGIEHN
CCC[C@H](C(=O)N[C@@H](C)c1ccc(CC)cc1)N(C)C	ZINC000161239372	321864615	/nfs/dbraw/zinc/86/46/15/321864615.db2.gz	FGNAEELDXAJDLN-XJKSGUPXSA-N	0	3	276.424	3.157	10	70		CGIEHN
CCC[C@H](C(=O)NCC(C)(C)Cc1ccccc1)N(C)C	ZINC000160907779	372287724	/nfs/dbraw/zinc/28/77/24/372287724.db2.gz	UAVDCKHXNQTBCA-MRXNPFEDSA-N	0	3	290.451	3.102	10	70		CGIEHN
CC(C)CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161109420	519731957	/nfs/dbraw/zinc/73/19/57/519731957.db2.gz	MLNVHAHHEARGJN-UONOGXRCSA-N	0	3	287.325	3.469	10	70		CGIEHN
Cn1nccc1C1CCN(Cc2ccccc2Cl)CC1	ZINC000160524906	527599652	/nfs/dbraw/zinc/59/96/52/527599652.db2.gz	FEFSTCMEBMEKGQ-UHFFFAOYSA-N	0	3	289.810	3.453	10	70		CGIEHN
CCSCCN1CCC[C@@H](c2nccs2)C1	ZINC000160001864	372203344	/nfs/dbraw/zinc/20/33/44/372203344.db2.gz	ACWLRTGWAPKSJU-LLVKDONJSA-N	0	3	256.440	3.076	10	70		CGIEHN
C[C@H](NCC(C)(C)O)c1ccccc1OC(F)(F)F	ZINC000160596041	525311685	/nfs/dbraw/zinc/31/16/85/525311685.db2.gz	IRCXYHVULZIXSH-VIFPVBQESA-N	0	3	277.286	3.007	10	70		CGIEHN
CCC[C@H](C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C)N(C)C	ZINC000159780020	372179324	/nfs/dbraw/zinc/17/93/24/372179324.db2.gz	LSYONVITXKYURA-BHYGNILZSA-N	0	3	288.435	3.121	10	70		CGIEHN
C(=C/c1ccccc1)\CN1CCC(c2cc[nH]n2)CC1	ZINC000160654628	518371058	/nfs/dbraw/zinc/37/10/58/518371058.db2.gz	OUEBMPJHSCTHQC-QPJJXVBHSA-N	0	3	267.376	3.303	10	70		CGIEHN
CCc1csc([C@@H]2CCCN(CCOCC3CC3)C2)n1	ZINC000160015137	529692978	/nfs/dbraw/zinc/69/29/78/529692978.db2.gz	WTBQDWKJQVDCRV-CQSZACIVSA-N	0	3	294.464	3.312	10	70		CGIEHN
CCSCCN1CCC[C@@H](c2nc(C)cs2)C1	ZINC000159997359	372203423	/nfs/dbraw/zinc/20/34/23/372203423.db2.gz	AQXORRHPDFITAM-GFCCVEGCSA-N	0	3	270.467	3.384	10	70		CGIEHN
CCC[C@H](C(=O)N(C)Cc1cccc(Cl)c1)N(C)C	ZINC000161226533	372311491	/nfs/dbraw/zinc/31/14/91/372311491.db2.gz	QRUBKFDXPDMLRQ-CQSZACIVSA-N	0	3	282.815	3.029	10	70		CGIEHN
CCOc1ccccc1CN1CCC(c2cc[nH]n2)CC1	ZINC000160539746	521480967	/nfs/dbraw/zinc/48/09/67/521480967.db2.gz	KIOSKNWCIIOLAV-UHFFFAOYSA-N	0	3	285.391	3.188	10	70		CGIEHN
CCSCCN1CCC[C@H](c2nc(C)cs2)C1	ZINC000159997207	372203457	/nfs/dbraw/zinc/20/34/57/372203457.db2.gz	AQXORRHPDFITAM-LBPRGKRZSA-N	0	3	270.467	3.384	10	70		CGIEHN
CCn1cc(C2CCN(Cc3ccccc3F)CC2)cn1	ZINC000160465870	523358116	/nfs/dbraw/zinc/35/81/16/523358116.db2.gz	WBPGSLYYYSNOJL-UHFFFAOYSA-N	0	3	287.382	3.422	10	70		CGIEHN
CCN(CC)CC(=O)N[C@H]1CC[C@@H](C)c2ccccc21	ZINC000159460727	372146229	/nfs/dbraw/zinc/14/62/29/372146229.db2.gz	FBZFFMDBGVFVFE-CJNGLKHVSA-N	0	3	274.408	3.083	10	70		CGIEHN
CCCn1nccc1CN[C@H]1CCc2ccccc21	ZINC000159981416	542152026	/nfs/dbraw/zinc/15/20/26/542152026.db2.gz	QQZFCUAOOZJCAP-INIZCTEOSA-N	0	3	255.365	3.070	10	70		CGIEHN
CCC[C@@H](C(=O)NCC(C)(C)Cc1ccccc1)N(C)C	ZINC000160907652	321860068	/nfs/dbraw/zinc/86/00/68/321860068.db2.gz	UAVDCKHXNQTBCA-INIZCTEOSA-N	0	3	290.451	3.102	10	70		CGIEHN
Cc1ccc(CN2CCC(c3ccnn3C)CC2)cc1	ZINC000160650578	524439884	/nfs/dbraw/zinc/43/98/84/524439884.db2.gz	PQFSSYIACHTPLL-UHFFFAOYSA-N	0	3	269.392	3.108	10	70		CGIEHN
O[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)c2ccccn2)C1	ZINC000217636526	572395486	/nfs/dbraw/zinc/39/54/86/572395486.db2.gz	QJUCPUNCLCJUJB-NUJGCVRESA-N	0	3	282.387	3.064	10	70		CGIEHN
CCC[C@@H](C(=O)N[C@@H](C)c1cccc(Cl)c1)N(C)C	ZINC000161234913	372310837	/nfs/dbraw/zinc/31/08/37/372310837.db2.gz	XFGCIWZDXFBEHX-FZMZJTMJSA-N	0	3	282.815	3.248	10	70		CGIEHN
CCCn1nccc1CN[C@@H](C)c1ccccc1C	ZINC000159979123	542152203	/nfs/dbraw/zinc/15/22/03/542152203.db2.gz	LVRCEDBOHOOJOG-AWEZNQCLSA-N	0	3	257.381	3.452	10	70		CGIEHN
CCC[C@H](C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C)N(C)C	ZINC000159779731	321840276	/nfs/dbraw/zinc/84/02/76/321840276.db2.gz	LSYONVITXKYURA-USXIJHARSA-N	0	3	288.435	3.121	10	70		CGIEHN
CCn1cc(C2CCN(Cc3cccc(OC)c3)CC2)cn1	ZINC000160638397	523357578	/nfs/dbraw/zinc/35/75/78/523357578.db2.gz	YVSZHMWCFSIHFE-UHFFFAOYSA-N	0	3	299.418	3.291	10	70		CGIEHN
Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCC(C)C)c(C)c1	ZINC000159728320	372174249	/nfs/dbraw/zinc/17/42/49/372174249.db2.gz	NSJUNSIMLIDRCI-GJZGRUSLSA-N	0	3	276.424	3.115	10	70		CGIEHN
CCC[C@@H](C(=O)N[C@H](C)c1cccc(C)c1C)N(C)C	ZINC000160090603	321846247	/nfs/dbraw/zinc/84/62/47/321846247.db2.gz	SGMRJXMVIAHUEO-ZBFHGGJFSA-N	0	3	276.424	3.211	10	70		CGIEHN
CCC[C@@H](C(=O)N(C)Cc1cccc(Cl)c1)N(C)C	ZINC000161226404	321864917	/nfs/dbraw/zinc/86/49/17/321864917.db2.gz	QRUBKFDXPDMLRQ-AWEZNQCLSA-N	0	3	282.815	3.029	10	70		CGIEHN
C[C@@H](NCC(C)(C)O)c1ccccc1OC(F)(F)F	ZINC000160596165	525417083	/nfs/dbraw/zinc/41/70/83/525417083.db2.gz	IRCXYHVULZIXSH-SECBINFHSA-N	0	3	277.286	3.007	10	70		CGIEHN
C[C@H](N[C@@H]1CCC[C@@H](O)C1)c1cc2ccccc2o1	ZINC000217646384	572395667	/nfs/dbraw/zinc/39/56/67/572395667.db2.gz	RMMSNULHHOSKMQ-IACUBPJLSA-N	0	3	259.349	3.387	10	70		CGIEHN
CCC[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N(C)C	ZINC000161237442	321864797	/nfs/dbraw/zinc/86/47/97/321864797.db2.gz	UMYBWCFLBZFNPV-FZMZJTMJSA-N	0	3	282.815	3.248	10	70		CGIEHN
O[C@@H]1CCCC[C@@H]1[C@@H]1CCCN1Cc1cc(F)cc(F)c1	ZINC000218731074	392999732	/nfs/dbraw/zinc/99/97/32/392999732.db2.gz	BSTSTAYNXOPDNB-IXDOHACOSA-N	0	3	295.373	3.480	10	70		CGIEHN
CCC[C@@H](C(=O)N[C@H]1CCSc2ccccc21)N(C)C	ZINC000161037284	372296777	/nfs/dbraw/zinc/29/67/77/372296777.db2.gz	WPHPKIFRVNVVJB-KBPBESRZSA-N	0	3	292.448	3.070	10	70		CGIEHN
CC(C)N(CCN(C)Cc1ccc(F)cc1)CC(F)F	ZINC000160303812	372235630	/nfs/dbraw/zinc/23/56/30/372235630.db2.gz	NZVGAYNCNSLGEE-UHFFFAOYSA-N	0	3	288.357	3.233	10	70		CGIEHN
CCC[C@@H](C(=O)N[C@H](C)c1ccccc1Cl)N(C)C	ZINC000161233878	520594290	/nfs/dbraw/zinc/59/42/90/520594290.db2.gz	DRENIZGKODVDLS-RISCZKNCSA-N	0	3	282.815	3.248	10	70		CGIEHN
CCC[C@H](C(=O)N[C@@H](C)c1ccccc1Cl)N(C)C	ZINC000161233749	520984163	/nfs/dbraw/zinc/98/41/63/520984163.db2.gz	DRENIZGKODVDLS-SMDDNHRTSA-N	0	3	282.815	3.248	10	70		CGIEHN
COC(CN1CCC[C@H](c2nc(C(C)C)cs2)C1)OC	ZINC000161251401	522533680	/nfs/dbraw/zinc/53/36/80/522533680.db2.gz	LWLJZWQFQPNXNF-LBPRGKRZSA-N	0	3	298.452	3.065	10	70		CGIEHN
CCn1cnnc1[C@@H]1CCCN(C/C=C/c2ccccc2)C1	ZINC000161414689	523596811	/nfs/dbraw/zinc/59/68/11/523596811.db2.gz	FOLJWUBXFXAEBY-DKISHCGFSA-N	0	3	296.418	3.191	10	70		CGIEHN
Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCC(C)C)c(C)c1	ZINC000159728453	372174443	/nfs/dbraw/zinc/17/44/43/372174443.db2.gz	NSJUNSIMLIDRCI-HUUCEWRRSA-N	0	3	276.424	3.115	10	70		CGIEHN
CCC[C@H](C(=O)N(C)Cc1ccccc1Cl)N(C)C	ZINC000161220721	321864550	/nfs/dbraw/zinc/86/45/50/321864550.db2.gz	QIQJWNQVVKXLHM-CQSZACIVSA-N	0	3	282.815	3.029	10	70		CGIEHN
CCC[C@H](C(=O)N[C@H](C)c1ccc(Cl)cc1)N(C)C	ZINC000161237709	372310930	/nfs/dbraw/zinc/31/09/30/372310930.db2.gz	UMYBWCFLBZFNPV-BXUZGUMPSA-N	0	3	282.815	3.248	10	70		CGIEHN
CCC[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N(C)C	ZINC000161237536	321864729	/nfs/dbraw/zinc/86/47/29/321864729.db2.gz	UMYBWCFLBZFNPV-SMDDNHRTSA-N	0	3	282.815	3.248	10	70		CGIEHN
CCSCCN1CCC(c2nc(C)cs2)CC1	ZINC000159990608	372201536	/nfs/dbraw/zinc/20/15/36/372201536.db2.gz	FJRSJRUSBGLKNW-UHFFFAOYSA-N	0	3	270.467	3.384	10	70		CGIEHN
CCN(CC)CC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21	ZINC000159460613	372145912	/nfs/dbraw/zinc/14/59/12/372145912.db2.gz	FBZFFMDBGVFVFE-CZUORRHYSA-N	0	3	274.408	3.083	10	70		CGIEHN
CCn1cc(C2CCN(Cc3ccc(F)cc3)CC2)cn1	ZINC000160465454	523356750	/nfs/dbraw/zinc/35/67/50/523356750.db2.gz	YZRMHTMGDNAMEH-UHFFFAOYSA-N	0	3	287.382	3.422	10	70		CGIEHN
C[C@H](N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccco1	ZINC000160217091	372226216	/nfs/dbraw/zinc/22/62/16/372226216.db2.gz	XEXDJDPGNYJVSM-ZOBUZTSGSA-N	0	3	299.418	3.236	10	70		CGIEHN
CCC[C@H](C(=O)N[C@@H]1CCSc2ccccc21)N(C)C	ZINC000161037145	372296716	/nfs/dbraw/zinc/29/67/16/372296716.db2.gz	WPHPKIFRVNVVJB-ZIAGYGMSSA-N	0	3	292.448	3.070	10	70		CGIEHN
Fc1cccc(CN2CCC(c3ccn[nH]3)CC2)c1F	ZINC000160536603	372255543	/nfs/dbraw/zinc/25/55/43/372255543.db2.gz	JFKKLSKLBUHPSG-UHFFFAOYSA-N	0	3	277.318	3.068	10	70		CGIEHN
CCC[C@H](C(=O)N[C@@H](C)c1cccc(Cl)c1)N(C)C	ZINC000161235037	372310729	/nfs/dbraw/zinc/31/07/29/372310729.db2.gz	XFGCIWZDXFBEHX-SMDDNHRTSA-N	0	3	282.815	3.248	10	70		CGIEHN
CCC[C@@H](C(=O)N[C@H](C)c1ccc(Cl)cc1)N(C)C	ZINC000161237600	321864877	/nfs/dbraw/zinc/86/48/77/321864877.db2.gz	UMYBWCFLBZFNPV-RISCZKNCSA-N	0	3	282.815	3.248	10	70		CGIEHN
CCOc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1	ZINC000160654359	520969794	/nfs/dbraw/zinc/96/97/94/520969794.db2.gz	SYQHLJBOXMAVRT-UHFFFAOYSA-N	0	3	285.391	3.188	10	70		CGIEHN
Cn1nccc1C1CCN(C/C=C/c2ccccc2)CC1	ZINC000160650835	527600127	/nfs/dbraw/zinc/60/01/27/527600127.db2.gz	FVLDUDNOYOCXBB-VMPITWQZSA-N	0	3	281.403	3.313	10	70		CGIEHN