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](NCc1cn(C)nc1C(F)(F)F)c1ccc(F)cc1	ZINC000159782882	197364057	/nfs/dbraw/zinc/36/40/57/197364057.db2.gz	WQWJRXVNHVWLJH-SECBINFHSA-N	0	1	301.287	3.429	10	70		DGIEMN
Fc1cc(F)c2nccc(N3CCC(c4nc[nH]n4)CC3)c2c1	ZINC000159891819	432699775	/nfs/dbraw/zinc/69/97/75/432699775.db2.gz	RSEXTXXSEGTBEV-UHFFFAOYSA-N	0	1	315.327	3.015	10	70		DGIEMN
C[C@H]1CC[C@H](C(N)=O)CN1Cc1cc(Cl)cc(Cl)c1	ZINC000159565408	432687246	/nfs/dbraw/zinc/68/72/46/432687246.db2.gz	NMEQBBOJNUMBRX-ONGXEEELSA-N	0	1	301.217	3.079	10	70		DGIEMN
COCC[N@@H+](Cc1ccccc1)Cc1ncc(C)c(OC)c1C	ZINC000160964170	432751621	/nfs/dbraw/zinc/75/16/21/432751621.db2.gz	VOQWXJUSDCJCBY-UHFFFAOYSA-N	0	1	314.429	3.356	10	70		DGIEMN
Fc1cc(Cl)ccc1CNC[C@H]1COc2ccccc2O1	ZINC000160666254	432733591	/nfs/dbraw/zinc/73/35/91/432733591.db2.gz	SYBPIZMVPMGZGS-ZDUSSCGKSA-N	0	1	307.752	3.409	10	70		DGIEMN
CCOC[C@H](O)CN[C@@H](C)c1c(Cl)ccc(F)c1Cl	ZINC000161328578	529007921	/nfs/dbraw/zinc/00/79/21/529007921.db2.gz	ANLYQPIDDGFCEF-DTWKUNHWSA-N	0	1	310.196	3.181	10	70		DGIEMN
Cc1cc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)ccn1	ZINC000159715276	432694081	/nfs/dbraw/zinc/69/40/81/432694081.db2.gz	ZZIOIEVZBLQUIA-UHFFFAOYSA-N	0	1	314.769	3.292	10	70		DGIEMN
CC(C)N(CCc1nccs1)Cc1nc(-c2ccoc2)no1	ZINC000159860913	432699613	/nfs/dbraw/zinc/69/96/13/432699613.db2.gz	SMLHFDWHIRNBGP-UHFFFAOYSA-N	0	1	318.402	3.239	10	70		DGIEMN
Cc1n[nH]c(C(C)C)c1C(=O)Nc1nnc(CC(C)C)s1	ZINC000159602988	432689023	/nfs/dbraw/zinc/68/90/23/432689023.db2.gz	DPYAISAYBIIJRB-UHFFFAOYSA-N	0	1	307.423	3.144	10	70		DGIEMN
C[C@H](NCc1ccc(Cn2ccccc2=O)cc1)c1ccco1	ZINC000161069751	432758570	/nfs/dbraw/zinc/75/85/70/432758570.db2.gz	ALOZJWMTIZZKJA-HNNXBMFYSA-N	0	1	308.381	3.340	10	70		DGIEMN
CCC[C@H](C(=O)Nc1ccc(Br)cc1C)N(C)C	ZINC000161219096	432766741	/nfs/dbraw/zinc/76/67/41/432766741.db2.gz	GDAJOUYQHDUWEC-CYBMUJFWSA-N	0	1	313.239	3.426	10	70		DGIEMN
C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cc(Cl)ccc1Cl	ZINC000160533705	432727399	/nfs/dbraw/zinc/72/73/99/432727399.db2.gz	OWXATTCMDFZZDE-NXEZZACHSA-N	0	1	301.217	3.079	10	70		DGIEMN
CCc1ccc(NC(=O)c2cccc(-c3nnc[nH]3)c2)cc1F	ZINC000160099179	432707130	/nfs/dbraw/zinc/70/71/30/432707130.db2.gz	WBROHYMMGGELLH-UHFFFAOYSA-N	0	1	310.332	3.426	10	70		DGIEMN
O[C@]12CCCC[C@@H]1CN(Cc1nc3cc(F)ccc3o1)CC2	ZINC000161137258	432761547	/nfs/dbraw/zinc/76/15/47/432761547.db2.gz	HBIIFUOJWMYJAO-PXAZEXFGSA-N	0	1	304.365	3.094	10	70		DGIEMN
CCC[C@H](C(=O)Nc1cccc(OC(F)(F)F)c1)N(C)C	ZINC000161411959	432777610	/nfs/dbraw/zinc/77/76/10/432777610.db2.gz	UWACPKCRPRGHBP-GFCCVEGCSA-N	0	1	304.312	3.254	10	70		DGIEMN
Cc1cc(C[C@@H](C)NC(=O)CCc2c[nH]c3ccc(C)cc23)n[nH]1	ZINC000161447084	432780032	/nfs/dbraw/zinc/78/00/32/432780032.db2.gz	MKSLCOYFMWUMTO-CYBMUJFWSA-N	0	1	324.428	3.188	10	70		DGIEMN
CCc1oc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1C	ZINC000159639332	292796980	/nfs/dbraw/zinc/79/69/80/292796980.db2.gz	PLVGCSMFKAQFQX-OAHLLOKOSA-N	0	1	318.392	3.322	10	70		DGIEMN
CC[C@](C)(O)CN(C)Cc1cc(Br)ccc1F	ZINC000160720062	529373144	/nfs/dbraw/zinc/37/31/44/529373144.db2.gz	IBTXDPDMAOCQGR-ZDUSSCGKSA-N	0	1	304.203	3.181	10	70		DGIEMN
CCOCc1ccccc1CNC(=O)c1c(C)n[nH]c1C(C)C	ZINC000159835257	432698326	/nfs/dbraw/zinc/69/83/26/432698326.db2.gz	CFBRNQABVBJKNV-UHFFFAOYSA-N	0	1	315.417	3.308	10	70		DGIEMN
CCc1nc(CN[C@H](C)c2ccc(-c3cccnc3)cc2)n[nH]1	ZINC000160489247	432722927	/nfs/dbraw/zinc/72/29/27/432722927.db2.gz	CYLXDPIDMOZZLN-CYBMUJFWSA-N	0	1	307.401	3.280	10	70		DGIEMN
CCc1nc(CN[C@@H](C)c2ccc(-c3cccnc3)cc2)n[nH]1	ZINC000160489151	432723296	/nfs/dbraw/zinc/72/32/96/432723296.db2.gz	CYLXDPIDMOZZLN-ZDUSSCGKSA-N	0	1	307.401	3.280	10	70		DGIEMN
C[C@@H](NCc1ccc(Cn2ccccc2=O)cc1)c1ccco1	ZINC000161069881	432758077	/nfs/dbraw/zinc/75/80/77/432758077.db2.gz	ALOZJWMTIZZKJA-OAHLLOKOSA-N	0	1	308.381	3.340	10	70		DGIEMN
C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cc(Cl)ccc1Cl	ZINC000160533855	432727455	/nfs/dbraw/zinc/72/74/55/432727455.db2.gz	OWXATTCMDFZZDE-VHSXEESVSA-N	0	1	301.217	3.079	10	70		DGIEMN
Cc1ccc(-c2n[nH]c(NC(=O)CCc3ccc(C)cc3)n2)o1	ZINC000160377307	525848830	/nfs/dbraw/zinc/84/88/30/525848830.db2.gz	RSJLRSYZIMJCPD-UHFFFAOYSA-N	0	1	310.357	3.253	10	70		DGIEMN
C[C@@H](NCc1cn(C)nc1C(F)(F)F)c1cccc(F)c1	ZINC000159794498	197365291	/nfs/dbraw/zinc/36/52/91/197365291.db2.gz	MOVMUZBJOUDNOK-SECBINFHSA-N	0	1	301.287	3.429	10	70		DGIEMN
CC(C)CSCCCNC(=O)[C@@H](Cc1ccccc1)N(C)C	ZINC000160709073	400734640	/nfs/dbraw/zinc/73/46/40/400734640.db2.gz	GLLWZZVGXZSVKO-QGZVFWFLSA-N	0	1	322.518	3.055	10	70		DGIEMN
Cc1cc(S(=O)(=O)Nc2cc(O)cc(F)c2)c(C)s1	ZINC000161301162	228251983	/nfs/dbraw/zinc/25/19/83/228251983.db2.gz	HSSROHMFCWTQFF-UHFFFAOYSA-N	0	1	301.364	3.010	10	70		DGIEMN
CC(C)N(CCc1nccs1)CC(=O)NCC1CCCCC1	ZINC000159840531	432697068	/nfs/dbraw/zinc/69/70/68/432697068.db2.gz	FCXLCUCSXSACCR-UHFFFAOYSA-N	0	1	323.506	3.093	10	70		DGIEMN
COCCOc1ccccc1CN(C)Cc1ccc(F)cc1	ZINC000161148750	432763725	/nfs/dbraw/zinc/76/37/25/432763725.db2.gz	PGTCLKIAIYEFFH-UHFFFAOYSA-N	0	1	303.377	3.483	10	70		DGIEMN
CC(C)N(CCc1nccs1)Cc1nc2ccccc2n1C	ZINC000159768297	432695783	/nfs/dbraw/zinc/69/57/83/432695783.db2.gz	KFLFQOBVKXCNOH-UHFFFAOYSA-N	0	1	314.458	3.483	10	70		DGIEMN
COC(=O)c1sccc1CN(CCc1nccs1)C(C)C	ZINC000159844453	432698094	/nfs/dbraw/zinc/69/80/94/432698094.db2.gz	XYRFWTWTKMECNM-UHFFFAOYSA-N	0	1	324.471	3.444	10	70		DGIEMN
C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cc(Cl)cc(Cl)c1	ZINC000159565254	432686191	/nfs/dbraw/zinc/68/61/91/432686191.db2.gz	NMEQBBOJNUMBRX-KOLCDFICSA-N	0	1	301.217	3.079	10	70		DGIEMN
CC(C)N(CCc1nccs1)CC(=O)N(C(C)C)C(C)C	ZINC000159840360	432696853	/nfs/dbraw/zinc/69/68/53/432696853.db2.gz	SCXZCZIRNXGHQI-UHFFFAOYSA-N	0	1	311.495	3.041	10	70		DGIEMN
CCC[C@H](C(=O)Nc1ccc(NC(=O)CC(C)C)cc1)N(C)C	ZINC000161415970	432777628	/nfs/dbraw/zinc/77/76/28/432777628.db2.gz	ZFZPRVDSPHBMAB-MRXNPFEDSA-N	0	1	319.449	3.340	10	70		DGIEMN
CCc1oc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1C	ZINC000159639186	292797030	/nfs/dbraw/zinc/79/70/30/292797030.db2.gz	PLVGCSMFKAQFQX-HNNXBMFYSA-N	0	1	318.392	3.322	10	70		DGIEMN
C[C@H](NCc1cn(C)nc1C(F)(F)F)c1ccc(F)cc1	ZINC000159782727	197364675	/nfs/dbraw/zinc/36/46/75/197364675.db2.gz	WQWJRXVNHVWLJH-VIFPVBQESA-N	0	1	301.287	3.429	10	70		DGIEMN
CC(C)N(CCc1nccs1)CC(=O)N1[C@H](C)CCC[C@H]1C	ZINC000159760600	432695718	/nfs/dbraw/zinc/69/57/18/432695718.db2.gz	IMGCBPPNTXOZGI-HUUCEWRRSA-N	0	1	323.506	3.186	10	70		DGIEMN
CC(C)N(CCc1nccs1)CC(=O)NC1CCC(C)CC1	ZINC000159954785	432703175	/nfs/dbraw/zinc/70/31/75/432703175.db2.gz	XHUGEGOUOLEXQL-UHFFFAOYSA-N	0	1	323.506	3.091	10	70		DGIEMN
CCc1nc(CN[C@H](C)c2ccc(OCC(C)C)cc2)n[nH]1	ZINC000160494146	432722675	/nfs/dbraw/zinc/72/26/75/432722675.db2.gz	YOYSOGKZKDERGD-CYBMUJFWSA-N	0	1	302.422	3.253	10	70		DGIEMN
Fc1cc(Cl)ccc1CNC[C@@H]1COc2ccccc2O1	ZINC000160666380	432734193	/nfs/dbraw/zinc/73/41/93/432734193.db2.gz	SYBPIZMVPMGZGS-CYBMUJFWSA-N	0	1	307.752	3.409	10	70		DGIEMN
CCC[C@@H](C(=O)Nc1ccc(Br)cc1C)N(C)C	ZINC000161218966	292831478	/nfs/dbraw/zinc/83/14/78/292831478.db2.gz	GDAJOUYQHDUWEC-ZDUSSCGKSA-N	0	1	313.239	3.426	10	70		DGIEMN
COC(=O)c1ccc2[nH]cc(C(=O)CN3CCCC3(C)C)c2c1	ZINC000160889044	400736176	/nfs/dbraw/zinc/73/61/76/400736176.db2.gz	FFVLQXSQRRNQFA-UHFFFAOYSA-N	0	1	314.385	3.012	10	70		DGIEMN
CCC[C@@H](C(=O)Nc1ccc(Br)cc1F)N(C)C	ZINC000161172852	432763799	/nfs/dbraw/zinc/76/37/99/432763799.db2.gz	RPCULAFLGXLZGZ-LBPRGKRZSA-N	0	1	317.202	3.257	10	70		DGIEMN
CC(C)N(CCc1nccs1)CC(=O)N[C@H]1CCCC[C@@H]1C	ZINC000159898372	432701593	/nfs/dbraw/zinc/70/15/93/432701593.db2.gz	ZNWWUAYWKJGLQI-GJZGRUSLSA-N	0	1	323.506	3.091	10	70		DGIEMN
O=C(N[C@H]1CCCc2sccc21)[C@H]1CCCc2[nH]ncc21	ZINC000160093063	432706019	/nfs/dbraw/zinc/70/60/19/432706019.db2.gz	HOGZTOQGXOGOLD-GWCFXTLKSA-N	0	1	301.415	3.085	10	70		DGIEMN
CCCCc1nnc(NC(=O)c2c(C)n[nH]c2C(C)C)s1	ZINC000159610537	432688972	/nfs/dbraw/zinc/68/89/72/432688972.db2.gz	NCLIZBUBAXBUIA-UHFFFAOYSA-N	0	1	307.423	3.288	10	70		DGIEMN
CCC[C@H](C(=O)Nc1ccc(Br)cc1F)N(C)C	ZINC000161172984	432765878	/nfs/dbraw/zinc/76/58/78/432765878.db2.gz	RPCULAFLGXLZGZ-GFCCVEGCSA-N	0	1	317.202	3.257	10	70		DGIEMN
CC(=O)[C@H](C)CCCCC(=O)NCc1nc2cccc(C)c2[nH]1	ZINC000160569263	432728520	/nfs/dbraw/zinc/72/85/20/432728520.db2.gz	FISAUBKDKSIELI-GFCCVEGCSA-N	0	1	315.417	3.273	10	70		DGIEMN
Cc1nn(C(C)(C)C)cc1[C@@H](C)NCC(=O)Nc1ccccc1	ZINC000160792874	432742810	/nfs/dbraw/zinc/74/28/10/432742810.db2.gz	HGATYSYOAPFPHN-CYBMUJFWSA-N	0	1	314.433	3.236	10	70		DGIEMN
COc1ccc(Cl)cc1CN1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000160786980	533852901	/nfs/dbraw/zinc/85/29/01/533852901.db2.gz	QAIIZULDVQVWCK-PBHICJAKSA-N	0	1	309.837	3.476	10	70		DGIEMN
Cc1ccc(-c2n[nH]c(NC(=O)[C@H](C)Cc3ccccc3)n2)o1	ZINC000160335576	534225245	/nfs/dbraw/zinc/22/52/45/534225245.db2.gz	BIHOIGOSMAGVOE-LLVKDONJSA-N	0	1	310.357	3.190	10	70		DGIEMN
Cc1ccc(C(=O)CCN2CC[C@@H](Oc3cccnc3)C2)cc1	ZINC000160316642	526044642	/nfs/dbraw/zinc/04/46/42/526044642.db2.gz	IHOJZTKVZILIAU-GOSISDBHSA-N	0	1	310.397	3.116	10	70		DGIEMN
C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cc(Cl)ccc1Cl	ZINC000160533512	274313739	/nfs/dbraw/zinc/31/37/39/274313739.db2.gz	OWXATTCMDFZZDE-ZJUUUORDSA-N	0	1	301.217	3.079	10	70		DGIEMN
CCc1oc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cc1C	ZINC000160348480	432716007	/nfs/dbraw/zinc/71/60/07/432716007.db2.gz	DEIZZHJQNZVRRZ-UHFFFAOYSA-N	0	1	300.318	3.089	10	70		DGIEMN
Cc1ccc(S(=O)(=O)Nc2cc(O)cc(F)c2)c(Cl)c1	ZINC000161283994	534212295	/nfs/dbraw/zinc/21/22/95/534212295.db2.gz	GXISDLXFONQLOL-UHFFFAOYSA-N	0	1	315.753	3.294	10	70		DGIEMN
Cc1ccc(-c2n[nH]c(NC(=O)c3cccc4ncccc43)n2)o1	ZINC000160304996	525851551	/nfs/dbraw/zinc/85/15/51/525851551.db2.gz	RPAIGDOTIQXRAA-UHFFFAOYSA-N	0	1	319.324	3.174	10	70		DGIEMN
CCOC[C@@H](O)CN[C@H](C)c1c(Cl)ccc(F)c1Cl	ZINC000161328946	528913243	/nfs/dbraw/zinc/91/32/43/528913243.db2.gz	ANLYQPIDDGFCEF-BDAKNGLRSA-N	0	1	310.196	3.181	10	70		DGIEMN
CC[C@H]1CCCCN1C(=O)CN(CCc1nccs1)C(C)C	ZINC000159791641	432695287	/nfs/dbraw/zinc/69/52/87/432695287.db2.gz	ZMBDFBIATRABCE-HNNXBMFYSA-N	0	1	323.506	3.187	10	70		DGIEMN
CC(C)CN(C(=O)CN(CCc1nccs1)C(C)C)C1CC1	ZINC000159857358	432698846	/nfs/dbraw/zinc/69/88/46/432698846.db2.gz	BUWIOSSLFUTHMD-UHFFFAOYSA-N	0	1	323.506	3.043	10	70		DGIEMN
CC(=O)c1csc(C(=O)NCc2nc3cccc(C)c3[nH]2)c1	ZINC000160391095	432717786	/nfs/dbraw/zinc/71/77/86/432717786.db2.gz	ROJPTYKJAILUCN-UHFFFAOYSA-N	0	1	313.382	3.065	10	70		DGIEMN
CC(=O)c1ccccc1C(=O)NCc1nc2cccc(C)c2[nH]1	ZINC000160519756	432724243	/nfs/dbraw/zinc/72/42/43/432724243.db2.gz	HEKPLDIWTVRICB-UHFFFAOYSA-N	0	1	307.353	3.004	10	70		DGIEMN
CC[C@](C)(O)CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000160517365	529372652	/nfs/dbraw/zinc/37/26/52/529372652.db2.gz	HGOKVDLWIIOLSW-AWEZNQCLSA-N	0	1	319.232	3.025	10	70		DGIEMN
Clc1cc(Cl)cc(OCCN2CCN(C3CC3)CC2)c1	ZINC000159718509	197361478	/nfs/dbraw/zinc/36/14/78/197361478.db2.gz	VMQOYWWQPXZPLN-UHFFFAOYSA-N	0	1	315.244	3.152	10	70		DGIEMN
CC(C)CSCCCNC(=O)[C@H](Cc1ccccc1)N(C)C	ZINC000160709198	400734523	/nfs/dbraw/zinc/73/45/23/400734523.db2.gz	GLLWZZVGXZSVKO-KRWDZBQOSA-N	0	1	322.518	3.055	10	70		DGIEMN
c1nc2ccccn2c1CN1CCC[C@H]1c1ccc2c(c1)OCO2	ZINC000159713983	432694299	/nfs/dbraw/zinc/69/42/99/432694299.db2.gz	CUHKCFJXUYUTTH-INIZCTEOSA-N	0	1	321.380	3.400	10	70		DGIEMN
CC[C@@H](C(=O)N1CCN2CCCC[C@@H]2C1)c1ccc(F)cc1	ZINC000159439309	432682890	/nfs/dbraw/zinc/68/28/90/432682890.db2.gz	OFXYFLIZSNKREI-IAGOWNOFSA-N	0	1	304.409	3.016	10	70		DGIEMN
Cc1ccc(C(=O)CCN2CC[C@H](Oc3cccnc3)C2)cc1	ZINC000160316505	526045541	/nfs/dbraw/zinc/04/55/41/526045541.db2.gz	IHOJZTKVZILIAU-SFHVURJKSA-N	0	1	310.397	3.116	10	70		DGIEMN
O=C(N[C@@H]1CCCc2sccc21)[C@H]1CCCc2[nH]ncc21	ZINC000160092935	432705950	/nfs/dbraw/zinc/70/59/50/432705950.db2.gz	HOGZTOQGXOGOLD-GXFFZTMASA-N	0	1	301.415	3.085	10	70		DGIEMN
CC(=O)c1ccc(C(=O)NCc2nc3cccc(C)c3[nH]2)cc1	ZINC000160280005	432713111	/nfs/dbraw/zinc/71/31/11/432713111.db2.gz	KLPWNMSBKMBMHC-UHFFFAOYSA-N	0	1	307.353	3.004	10	70		DGIEMN
CCC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(C)C	ZINC000161167600	432763911	/nfs/dbraw/zinc/76/39/11/432763911.db2.gz	OKTKISSJTKWVAK-LBPRGKRZSA-N	0	1	304.312	3.254	10	70		DGIEMN
Cc1ccn(-c2ccccc2NC(=O)c2cccc3cn[nH]c32)n1	ZINC000161221347	432767139	/nfs/dbraw/zinc/76/71/39/432767139.db2.gz	ZBQBWYLRPRTTJS-UHFFFAOYSA-N	0	1	317.352	3.309	10	70		DGIEMN
CC(=O)[C@@H](C)CCCCC(=O)NCc1nc2cccc(C)c2[nH]1	ZINC000160569413	432729074	/nfs/dbraw/zinc/72/90/74/432729074.db2.gz	FISAUBKDKSIELI-LBPRGKRZSA-N	0	1	315.417	3.273	10	70		DGIEMN
COc1ccc(Cl)cc1CN1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000160786840	533851827	/nfs/dbraw/zinc/85/18/27/533851827.db2.gz	QAIIZULDVQVWCK-RHSMWYFYSA-N	0	1	309.837	3.476	10	70		DGIEMN
c1ccc2c(c1)CCCN2CCSc1nc(C2CC2)n[nH]1	ZINC000160753060	228247870	/nfs/dbraw/zinc/24/78/70/228247870.db2.gz	VXQOVXLUYOIRGM-UHFFFAOYSA-N	0	1	300.431	3.227	10	70		DGIEMN
c1ccc2c(c1)CCCN2CCSc1n[nH]c(C2CC2)n1	ZINC000160753060	228247871	/nfs/dbraw/zinc/24/78/71/228247871.db2.gz	VXQOVXLUYOIRGM-UHFFFAOYSA-N	0	1	300.431	3.227	10	70		DGIEMN
CCc1oc(C(=O)OC)cc1CN(CC)CCc1nccs1	ZINC000159419969	197352631	/nfs/dbraw/zinc/35/26/31/197352631.db2.gz	DNOWUYQLHJNZTG-UHFFFAOYSA-N	0	1	322.430	3.150	10	70		DGIEMN
CCN(CCc1nccs1)Cc1ccc(F)cc1C(=O)OC	ZINC000159378449	197349860	/nfs/dbraw/zinc/34/98/60/197349860.db2.gz	WVBSJYKFOPODEQ-UHFFFAOYSA-N	0	1	322.405	3.133	10	70		DGIEMN
CCN1CCCC[C@@H]1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	ZINC000159913691	276154071	/nfs/dbraw/zinc/15/40/71/276154071.db2.gz	STRITLJVRZYLDK-HZPDHXFCSA-N	0	1	316.445	3.279	10	70		DGIEMN
CCN1CCO[C@H](CN[C@@H](C)c2cc(Cl)ccc2Cl)C1	ZINC000159479087	546054720	/nfs/dbraw/zinc/05/47/20/546054720.db2.gz	NFDXJMQFDOAOQQ-WCQYABFASA-N	0	1	317.260	3.365	10	70		DGIEMN
CC[C@H](C(=O)N1CCN2CCCC[C@@H]2C1)c1ccc(F)cc1	ZINC000159439167	432683897	/nfs/dbraw/zinc/68/38/97/432683897.db2.gz	OFXYFLIZSNKREI-SJORKVTESA-N	0	1	304.409	3.016	10	70		DGIEMN
CC[C@@](C)(O)CN(C)Cc1cc(Br)ccc1F	ZINC000160720192	529508268	/nfs/dbraw/zinc/50/82/68/529508268.db2.gz	IBTXDPDMAOCQGR-CYBMUJFWSA-N	0	1	304.203	3.181	10	70		DGIEMN
C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cc(Cl)cc(Cl)c1	ZINC000159565677	432686363	/nfs/dbraw/zinc/68/63/63/432686363.db2.gz	NMEQBBOJNUMBRX-GXSJLCMTSA-N	0	1	301.217	3.079	10	70		DGIEMN
Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(-n2cccn2)cc1	ZINC000159894804	432701726	/nfs/dbraw/zinc/70/17/26/432701726.db2.gz	BEEVGXPVBOYZLY-UHFFFAOYSA-N	0	1	309.373	3.280	10	70		DGIEMN
CCS[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC(C)C)C(C)C	ZINC000160523864	432725122	/nfs/dbraw/zinc/72/51/22/432725122.db2.gz	YHCREKDECVKJES-HUUCEWRRSA-N	0	1	300.512	3.001	10	70		DGIEMN
CCC[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(C)C	ZINC000161167713	432763365	/nfs/dbraw/zinc/76/33/65/432763365.db2.gz	OKTKISSJTKWVAK-GFCCVEGCSA-N	0	1	304.312	3.254	10	70		DGIEMN
CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1	ZINC000161325500	432773646	/nfs/dbraw/zinc/77/36/46/432773646.db2.gz	SPXLYHMRWMJYEZ-ZDUSSCGKSA-N	0	1	322.815	3.470	10	70		DGIEMN
CCn1cnnc1[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000161325500	432773648	/nfs/dbraw/zinc/77/36/48/432773648.db2.gz	SPXLYHMRWMJYEZ-ZDUSSCGKSA-N	0	1	322.815	3.470	10	70		DGIEMN
CC(C)N(CCc1nccs1)CC(=O)N1[C@H](C)CCC[C@@H]1C	ZINC000159760335	432696102	/nfs/dbraw/zinc/69/61/02/432696102.db2.gz	IMGCBPPNTXOZGI-GASCZTMLSA-N	0	1	323.506	3.186	10	70		DGIEMN
Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccccc1OC(F)F	ZINC000159504096	432685484	/nfs/dbraw/zinc/68/54/84/432685484.db2.gz	MSNXUPIONDBPFX-UHFFFAOYSA-N	0	1	323.343	3.373	10	70		DGIEMN
C[C@H](NCc1cn(C)nc1C(F)(F)F)c1cccc(F)c1	ZINC000159794366	197365024	/nfs/dbraw/zinc/36/50/24/197365024.db2.gz	MOVMUZBJOUDNOK-VIFPVBQESA-N	0	1	301.287	3.429	10	70		DGIEMN
CC(C)N(CCc1nccs1)CC(=O)N[C@@H]1CCCC[C@H]1C	ZINC000159898458	432701042	/nfs/dbraw/zinc/70/10/42/432701042.db2.gz	ZNWWUAYWKJGLQI-HUUCEWRRSA-N	0	1	323.506	3.091	10	70		DGIEMN
O=C(N[C@@H]1CCCc2sccc21)[C@@H]1CCCc2[nH]ncc21	ZINC000160092637	432706311	/nfs/dbraw/zinc/70/63/11/432706311.db2.gz	HOGZTOQGXOGOLD-ZWNOBZJWSA-N	0	1	301.415	3.085	10	70		DGIEMN
C[C@H]1CC[C@H](C(N)=O)CN1Cc1cc(Cl)ccc1Cl	ZINC000160533593	432727221	/nfs/dbraw/zinc/72/72/21/432727221.db2.gz	OWXATTCMDFZZDE-UWVGGRQHSA-N	0	1	301.217	3.079	10	70		DGIEMN
CCOC[C@@H](O)CN[C@@H](C)c1c(Cl)ccc(F)c1Cl	ZINC000161328694	528912402	/nfs/dbraw/zinc/91/24/02/528912402.db2.gz	ANLYQPIDDGFCEF-IUCAKERBSA-N	0	1	310.196	3.181	10	70		DGIEMN
CCOC[C@H](O)CN[C@H](C)c1c(Cl)ccc(F)c1Cl	ZINC000161328829	529009070	/nfs/dbraw/zinc/00/90/70/529009070.db2.gz	ANLYQPIDDGFCEF-RKDXNWHRSA-N	0	1	310.196	3.181	10	70		DGIEMN
CCN1CCO[C@@H](CN[C@@H](C)c2cc(Cl)ccc2Cl)C1	ZINC000159479206	546054341	/nfs/dbraw/zinc/05/43/41/546054341.db2.gz	NFDXJMQFDOAOQQ-AAEUAGOBSA-N	0	1	317.260	3.365	10	70		DGIEMN
Cn1cc(CN[C@@H]2CCc3ccc(F)cc32)c(C(F)(F)F)n1	ZINC000159784254	546056297	/nfs/dbraw/zinc/05/62/97/546056297.db2.gz	GOAATUKWLQNABN-CYBMUJFWSA-N	0	1	313.298	3.355	10	70		DGIEMN
C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccc(Cl)c1Cl	ZINC000159683098	432692534	/nfs/dbraw/zinc/69/25/34/432692534.db2.gz	VGWSUDNPCHTQLY-ONGXEEELSA-N	0	1	301.217	3.079	10	70		DGIEMN
C[C@H]1CC[C@H](C(N)=O)CN1Cc1cccc(Cl)c1Cl	ZINC000159683098	432692538	/nfs/dbraw/zinc/69/25/38/432692538.db2.gz	VGWSUDNPCHTQLY-ONGXEEELSA-N	0	1	301.217	3.079	10	70		DGIEMN
CC[C@@H]1CCCCN1C(=O)CN(CCc1nccs1)C(C)C	ZINC000159791522	432696348	/nfs/dbraw/zinc/69/63/48/432696348.db2.gz	ZMBDFBIATRABCE-OAHLLOKOSA-N	0	1	323.506	3.187	10	70		DGIEMN
CCOCc1ccc(CNC(=O)c2c(C)n[nH]c2C(C)C)cc1	ZINC000159823424	432697796	/nfs/dbraw/zinc/69/77/96/432697796.db2.gz	GVWLXCGJMRCMFI-UHFFFAOYSA-N	0	1	315.417	3.308	10	70		DGIEMN
CC(C)N(CCc1nccs1)Cc1cn2ccccc2n1	ZINC000159809988	432698271	/nfs/dbraw/zinc/69/82/71/432698271.db2.gz	YGAVWVQCWYZVKW-UHFFFAOYSA-N	0	1	300.431	3.244	10	70		DGIEMN
Cc1n[nH]c(C(C)C)c1C(=O)N(C)CCCOc1ccccc1	ZINC000159926009	432701376	/nfs/dbraw/zinc/70/13/76/432701376.db2.gz	UCYACIGJPVRGPP-UHFFFAOYSA-N	0	1	315.417	3.383	10	70		DGIEMN
CCC[C@@H](C(=O)Nc1cccc(OC(F)(F)F)c1)N(C)C	ZINC000161411812	432778053	/nfs/dbraw/zinc/77/80/53/432778053.db2.gz	UWACPKCRPRGHBP-LBPRGKRZSA-N	0	1	304.312	3.254	10	70		DGIEMN
Cn1cc(CN[C@H]2CCc3ccc(F)cc32)c(C(F)(F)F)n1	ZINC000159784390	546056167	/nfs/dbraw/zinc/05/61/67/546056167.db2.gz	GOAATUKWLQNABN-ZDUSSCGKSA-N	0	1	313.298	3.355	10	70		DGIEMN
CC[C@@](C)(O)CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000160517490	529507920	/nfs/dbraw/zinc/50/79/20/529507920.db2.gz	HGOKVDLWIIOLSW-CQSZACIVSA-N	0	1	319.232	3.025	10	70		DGIEMN
c1nc2ccccn2c1CN1CCC[C@@H]1c1ccc2c(c1)OCO2	ZINC000159713812	432694317	/nfs/dbraw/zinc/69/43/17/432694317.db2.gz	CUHKCFJXUYUTTH-MRXNPFEDSA-N	0	1	321.380	3.400	10	70		DGIEMN
Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cnc2ccccn12	ZINC000160106586	432706575	/nfs/dbraw/zinc/70/65/75/432706575.db2.gz	QYEDLJBTWWWFTR-INIZCTEOSA-N	0	1	309.417	3.022	10	70		DGIEMN
Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)o2)cc1	ZINC000159661572	432691461	/nfs/dbraw/zinc/69/14/61/432691461.db2.gz	IPZOJMGUBULNRF-HOCLYGCPSA-N	0	1	312.413	3.341	10	70		DGIEMN
O[C@@]12CCCC[C@@H]1CN(Cc1nc3cc(F)ccc3o1)CC2	ZINC000161137145	432761800	/nfs/dbraw/zinc/76/18/00/432761800.db2.gz	HBIIFUOJWMYJAO-SJKOYZFVSA-N	0	1	304.365	3.094	10	70		DGIEMN
CC(C)N(CCc1nccs1)CC(=O)N[C@@H]1CCCC[C@@H]1C	ZINC000159898550	432701083	/nfs/dbraw/zinc/70/10/83/432701083.db2.gz	ZNWWUAYWKJGLQI-LSDHHAIUSA-N	0	1	323.506	3.091	10	70		DGIEMN
Cc1nn(C(C)(C)C)cc1[C@H](C)NCC(=O)Nc1ccccc1	ZINC000160793001	432743072	/nfs/dbraw/zinc/74/30/72/432743072.db2.gz	HGATYSYOAPFPHN-ZDUSSCGKSA-N	0	1	314.433	3.236	10	70		DGIEMN
C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccc(Cl)c1Cl	ZINC000159683258	432692355	/nfs/dbraw/zinc/69/23/55/432692355.db2.gz	VGWSUDNPCHTQLY-MWLCHTKSSA-N	0	1	301.217	3.079	10	70		DGIEMN
C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cccc(Cl)c1Cl	ZINC000159683258	432692358	/nfs/dbraw/zinc/69/23/58/432692358.db2.gz	VGWSUDNPCHTQLY-MWLCHTKSSA-N	0	1	301.217	3.079	10	70		DGIEMN
Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1cnc2ccccn12	ZINC000160106724	432706928	/nfs/dbraw/zinc/70/69/28/432706928.db2.gz	QYEDLJBTWWWFTR-MRXNPFEDSA-N	0	1	309.417	3.022	10	70		DGIEMN
Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](C(N)=O)CC[C@@H]3C)o2)cc1	ZINC000159661451	432691489	/nfs/dbraw/zinc/69/14/89/432691489.db2.gz	IPZOJMGUBULNRF-GOEBONIOSA-N	0	1	312.413	3.341	10	70		DGIEMN
COC(=O)[C@H](C)Oc1ccc(CN(C)Cc2ccc(C)o2)cc1	ZINC000160873712	432747276	/nfs/dbraw/zinc/74/72/76/432747276.db2.gz	XFPWSILNVLJXCU-AWEZNQCLSA-N	0	1	317.385	3.160	10	70		DGIEMN
Cc1cc(C[C@H](C)NC(=O)CCc2c[nH]c3ccc(C)cc23)n[nH]1	ZINC000161446940	432779969	/nfs/dbraw/zinc/77/99/69/432779969.db2.gz	MKSLCOYFMWUMTO-ZDUSSCGKSA-N	0	1	324.428	3.188	10	70		DGIEMN
CC(C)N(Cc1noc(-c2ccsc2)n1)C1CCOCC1	ZINC000160899469	528967230	/nfs/dbraw/zinc/96/72/30/528967230.db2.gz	SVMPMIQILRXGQI-UHFFFAOYSA-N	0	1	307.419	3.188	10	70		DGIEMN
CCS[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC(C)C)C(C)C	ZINC000160523747	432725346	/nfs/dbraw/zinc/72/53/46/432725346.db2.gz	YHCREKDECVKJES-CABCVRRESA-N	0	1	300.512	3.001	10	70		DGIEMN
COC(=O)[C@@H](C)Oc1ccc(CN(C)Cc2ccc(C)o2)cc1	ZINC000160873831	432748217	/nfs/dbraw/zinc/74/82/17/432748217.db2.gz	XFPWSILNVLJXCU-CQSZACIVSA-N	0	1	317.385	3.160	10	70		DGIEMN
CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1	ZINC000161325374	432773718	/nfs/dbraw/zinc/77/37/18/432773718.db2.gz	SPXLYHMRWMJYEZ-CYBMUJFWSA-N	0	1	322.815	3.470	10	70		DGIEMN
CCn1cnnc1[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000161325374	432773721	/nfs/dbraw/zinc/77/37/21/432773721.db2.gz	SPXLYHMRWMJYEZ-CYBMUJFWSA-N	0	1	322.815	3.470	10	70		DGIEMN
CC(C)N(CCc1nccs1)CC(=O)N1[C@@H](C)CCC[C@@H]1C	ZINC000159760470	432694925	/nfs/dbraw/zinc/69/49/25/432694925.db2.gz	IMGCBPPNTXOZGI-GJZGRUSLSA-N	0	1	323.506	3.186	10	70		DGIEMN
CC(C)N(CCc1nccs1)CC(=O)N(C)C1CCCCC1	ZINC000159847713	432697323	/nfs/dbraw/zinc/69/73/23/432697323.db2.gz	PUOPGVNWEYHVRU-UHFFFAOYSA-N	0	1	323.506	3.187	10	70		DGIEMN
CCc1nc(CN[C@@H](C)c2ccc(OCC(C)C)cc2)n[nH]1	ZINC000160494011	432722739	/nfs/dbraw/zinc/72/27/39/432722739.db2.gz	YOYSOGKZKDERGD-ZDUSSCGKSA-N	0	1	302.422	3.253	10	70		DGIEMN
C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cc(Cl)cc(Cl)c1	ZINC000159565548	432686162	/nfs/dbraw/zinc/68/61/62/432686162.db2.gz	NMEQBBOJNUMBRX-MWLCHTKSSA-N	0	1	301.217	3.079	10	70		DGIEMN
CN(Cc1cn(C)nc1-c1cccnc1)Cc1ccc(F)cc1	ZINC000161144472	432761165	/nfs/dbraw/zinc/76/11/65/432761165.db2.gz	UKPHPTQUIMVMTE-UHFFFAOYSA-N	0	1	310.376	3.253	10	70		DGIEMN
CC(C)N(CCc1nccs1)Cc1nc(-c2ccco2)no1	ZINC000159787175	432694994	/nfs/dbraw/zinc/69/49/94/432694994.db2.gz	NCJZHAKRNWXMOI-UHFFFAOYSA-N	0	1	318.402	3.239	10	70		DGIEMN
CC(C)N(CCc1nccs1)CC(=O)N[C@H]1CCCC[C@H]1C	ZINC000159898234	432701978	/nfs/dbraw/zinc/70/19/78/432701978.db2.gz	ZNWWUAYWKJGLQI-CABCVRRESA-N	0	1	323.506	3.091	10	70		DGIEMN
CCN1CCCC[C@H]1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	ZINC000159913818	432702041	/nfs/dbraw/zinc/70/20/41/432702041.db2.gz	STRITLJVRZYLDK-CVEARBPZSA-N	0	1	316.445	3.279	10	70		DGIEMN
CCC[C@@H](C(=O)Nc1ccc(NC(=O)CC(C)C)cc1)N(C)C	ZINC000161415857	432778090	/nfs/dbraw/zinc/77/80/90/432778090.db2.gz	ZFZPRVDSPHBMAB-INIZCTEOSA-N	0	1	319.449	3.340	10	70		DGIEMN
O=C(N[C@H]1CCCc2sccc21)[C@@H]1CCCc2[nH]ncc21	ZINC000160092789	284190206	/nfs/dbraw/zinc/19/02/06/284190206.db2.gz	HOGZTOQGXOGOLD-MFKMUULPSA-N	0	1	301.415	3.085	10	70		DGIEMN
C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccc(Cl)c1Cl	ZINC000159683393	432692111	/nfs/dbraw/zinc/69/21/11/432692111.db2.gz	VGWSUDNPCHTQLY-GXSJLCMTSA-N	0	1	301.217	3.079	10	70		DGIEMN
C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cccc(Cl)c1Cl	ZINC000159683393	432692116	/nfs/dbraw/zinc/69/21/16/432692116.db2.gz	VGWSUDNPCHTQLY-GXSJLCMTSA-N	0	1	301.217	3.079	10	70		DGIEMN
C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccc(Cl)c1Cl	ZINC000159682952	432692319	/nfs/dbraw/zinc/69/23/19/432692319.db2.gz	VGWSUDNPCHTQLY-KOLCDFICSA-N	0	1	301.217	3.079	10	70		DGIEMN
C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cccc(Cl)c1Cl	ZINC000159682952	432692323	/nfs/dbraw/zinc/69/23/23/432692323.db2.gz	VGWSUDNPCHTQLY-KOLCDFICSA-N	0	1	301.217	3.079	10	70		DGIEMN