smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc([SiH](C)c2ccccc2)c1	ZINC000169817056	187227084	/nfs/dbraw/zinc/22/70/84/187227084.db2.gz	HNTJKAONYVKSOS-UHFFFAOYSA-N	0	0	212.368	1.966	50	70		BDIARN
COc1cccc(CCN2CCOCC2)c1	ZINC000216919802	344090870	/nfs/dbraw/zinc/09/08/70/344090870.db2.gz	STVGAMITXUPOMZ-UHFFFAOYSA-N	0	0	221.300	1.570	50	70		BDIARN
O=C(CC1CC1)NCC[C@@H](O)C1CCOCC1	ZINC000217922246	388383796	/nfs/dbraw/zinc/38/37/96/388383796.db2.gz	ULFGPGMEZCRGAI-GFCCVEGCSA-N	0	0	241.331	1.080	50	70		BDIARN
CCOCC(=O)N[C@@H](CC)c1ncccc1C	ZINC000218305902	170345987	/nfs/dbraw/zinc/34/59/87/170345987.db2.gz	OIHDGKOEUYPNRS-NSHDSACASA-N	0	0	236.315	1.994	50	70		BDIARN
Cn1cnnc1CN1CCc2sccc2C1	ZINC000160739185	323104266	/nfs/dbraw/zinc/10/42/66/323104266.db2.gz	CVQNHCYQZUXILC-UHFFFAOYSA-N	0	0	234.328	1.435	50	70		BDIARN
Cc1cc(Cl)ccc1C(=O)N[C@@H](C)C(N)=O	ZINC000160193689	178066448	/nfs/dbraw/zinc/06/64/48/178066448.db2.gz	JKFFGVGUDUGFNX-ZETCQYMHSA-N	0	0	240.690	1.252	50	70		BDIARN
CCOCC(=O)NCC[C@@H](O)c1ccsc1	ZINC000217524303	521663829	/nfs/dbraw/zinc/66/38/29/521663829.db2.gz	IURDYPRVEOLWNS-SNVBAGLBSA-N	0	0	243.328	1.324	50	70		BDIARN
CONC(=O)Nc1ccnc(C)c1Cl	ZINC000159883665	351021868	/nfs/dbraw/zinc/02/18/68/351021868.db2.gz	QMBNIZHWDIFTHI-UHFFFAOYSA-N	0	0	215.640	1.726	50	70		BDIARN
CC(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	ZINC000217806891	188008949	/nfs/dbraw/zinc/00/89/49/188008949.db2.gz	RZTIRQLSQZDIEU-JTQLQIEISA-N	0	0	249.314	1.748	50	70		BDIARN
O=C(Nc1ccn2nccc2c1)C1CC1	ZINC000217952401	182384802	/nfs/dbraw/zinc/38/48/02/182384802.db2.gz	MQYOBCLDLPKCJT-UHFFFAOYSA-N	0	0	201.229	1.683	50	70		BDIARN
N#Cc1ccc(S(=O)(=O)F)cc1Cl	ZINC000238852845	268189542	/nfs/dbraw/zinc/18/95/42/268189542.db2.gz	HINMYZHDGNYENP-UHFFFAOYSA-N	0	0	219.624	1.870	50	70		BDIARN
O=C(NCCCNc1cccnc1)[C@@H]1CCCO1	ZINC000218208305	527677666	/nfs/dbraw/zinc/67/76/66/527677666.db2.gz	FMNHZAGDQZOEFG-LBPRGKRZSA-N	0	0	249.314	1.179	50	70		BDIARN
NC1=CS(=O)(=O)c2cc(C(F)(F)F)ccc21	ZINC000217046809	181337574	/nfs/dbraw/zinc/33/75/74/181337574.db2.gz	VCGFKAHCDACNDM-UHFFFAOYSA-N	0	0	249.213	1.750	50	70		BDIARN
NNC(=S)c1cccc2ccccc21	ZINC000217633418	388584300	/nfs/dbraw/zinc/58/43/00/388584300.db2.gz	XEZACBMOIYVLNO-UHFFFAOYSA-N	0	0	202.282	1.979	50	70		BDIARN
CCn1ncc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c1C	ZINC000218780187	172253895	/nfs/dbraw/zinc/25/38/95/172253895.db2.gz	XOFVLJHHBMHNLS-USWWRNFRSA-N	0	0	249.314	1.119	50	70		BDIARN
CC(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	ZINC000217806828	187319024	/nfs/dbraw/zinc/31/90/24/187319024.db2.gz	RZTIRQLSQZDIEU-SNVBAGLBSA-N	0	0	249.314	1.748	50	70		BDIARN
O[C@@H]1CCOC[C@H]1Nc1cnc2ccccc2n1	ZINC000217619965	183201969	/nfs/dbraw/zinc/20/19/69/183201969.db2.gz	UNMNJDYJKWWGJA-VXGBXAGGSA-N	0	0	245.282	1.192	50	70		BDIARN
Cc1ccc([SiH2]c2ccc(C)cc2)cc1	ZINC000195815861	368396983	/nfs/dbraw/zinc/39/69/83/368396983.db2.gz	IPCJGHRRIQJAOP-UHFFFAOYSA-N	0	0	212.368	1.423	50	70		BDIARN
Cc1cc(C(=O)Nc2ccn3nccc3c2)no1	ZINC000217956198	388383832	/nfs/dbraw/zinc/38/38/32/388383832.db2.gz	SXLGXURTBYVYDS-UHFFFAOYSA-N	0	0	242.238	1.883	50	70		BDIARN
FCCCSCCN1CCOCC1	ZINC000159849948	191117643	/nfs/dbraw/zinc/11/76/43/191117643.db2.gz	KUBDBTVAXOWKMF-UHFFFAOYSA-N	0	0	207.314	1.411	50	70		BDIARN
O=C(Nc1ccnn1CC1CC1)c1cccnc1	ZINC000159751061	350994985	/nfs/dbraw/zinc/99/49/85/350994985.db2.gz	OMGAOMPJIIVRKZ-UHFFFAOYSA-N	0	0	242.282	1.940	50	70		BDIARN
O=C(CC1CC1)NCC[C@H](O)C1CCOCC1	ZINC000217922174	181889128	/nfs/dbraw/zinc/88/91/28/181889128.db2.gz	ULFGPGMEZCRGAI-LBPRGKRZSA-N	0	0	241.331	1.080	50	70		BDIARN
Cc1cccc(NC(=O)c2cc(=O)[nH]cn2)c1C	ZINC000217793695	179141227	/nfs/dbraw/zinc/14/12/27/179141227.db2.gz	BLPMRNDZQYCRNI-UHFFFAOYSA-N	0	0	243.266	1.639	50	70		BDIARN
Cc1cc(=O)c(O)c([C@@H](CC(N)=O)C(C)C)o1	ZINC000217764754	387594089	/nfs/dbraw/zinc/59/40/89/387594089.db2.gz	BBHNKXKPADYZMH-QMMMGPOBSA-N	0	0	239.271	1.269	50	70	biogenic	BDIARN
Cc1nc(C)c(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)o1	ZINC000218594030	179904423	/nfs/dbraw/zinc/90/44/23/179904423.db2.gz	UUMPDDIWJDVJKJ-UTLUCORTSA-N	0	0	236.271	1.199	50	70		BDIARN
O=C(NCc1ccccc1)N[C@@H]1C[C@@H]2OCC[C@H]12	ZINC000217336422	182255838	/nfs/dbraw/zinc/25/58/38/182255838.db2.gz	SXYUCHGUXJFYGI-UPJWGTAASA-N	0	0	246.310	1.663	50	70		BDIARN
Cc1cc(C)n(C[C@@H](C)NC(=O)c2cnc[nH]2)n1	ZINC000218597480	385904699	/nfs/dbraw/zinc/90/46/99/385904699.db2.gz	VGMZFYDSWADRGD-SECBINFHSA-N	0	0	247.302	1.042	50	70		BDIARN
Cc1cc(C)n(C[C@H](C)NC(=O)c2cnc[nH]2)n1	ZINC000218597552	177929557	/nfs/dbraw/zinc/92/95/57/177929557.db2.gz	VGMZFYDSWADRGD-VIFPVBQESA-N	0	0	247.302	1.042	50	70		BDIARN
N#Cc1ccccc1OS(=O)(=O)F	ZINC000257354935	268283643	/nfs/dbraw/zinc/28/36/43/268283643.db2.gz	FWHISILUCPTNBH-UHFFFAOYSA-N	0	0	201.178	1.151	50	70		BDIARN
CCOCC(=O)NCC[C@H](O)c1ccsc1	ZINC000217524234	521663318	/nfs/dbraw/zinc/66/33/18/521663318.db2.gz	IURDYPRVEOLWNS-JTQLQIEISA-N	0	0	243.328	1.324	50	70		BDIARN
O=C(NCCSC1CCOCC1)C1CC1	ZINC000217698422	526370316	/nfs/dbraw/zinc/37/03/16/526370316.db2.gz	MQJAMHPSMGGADA-UHFFFAOYSA-N	0	0	229.345	1.425	50	70		BDIARN
Cc1ccc(N[C@@H]2C[C@@H]3OCC[C@H]23)nn1	ZINC000217532918	178774892	/nfs/dbraw/zinc/77/48/92/178774892.db2.gz	MLXSRPDBZVQUEZ-BBBLOLIVSA-N	0	0	205.261	1.374	50	70		BDIARN
O=C(c1ccncc1F)N1CCSCC1	ZINC000161427808	387479462	/nfs/dbraw/zinc/47/94/62/387479462.db2.gz	DGBFVUAUZDGGFL-UHFFFAOYSA-N	0	0	226.276	1.410	50	70		BDIARN
CC(C)C[C@]1(C)NC(=O)N(CC(F)F)C1=O	ZINC000159523938	411389181	/nfs/dbraw/zinc/38/91/81/411389181.db2.gz	SDYIBEVPQDINTD-JTQLQIEISA-N	0	0	234.246	1.608	50	70		BDIARN
N#Cc1c(F)cccc1S(=O)(=O)Cl	ZINC000100594218	269948531	/nfs/dbraw/zinc/94/85/31/269948531.db2.gz	BGAALQGGQLDGFK-UHFFFAOYSA-N	0	0	219.624	1.625	50	70		BDIARN
Cc1cccc(NC(=O)c2cc(=O)[nH]cn2)c1	ZINC000217793594	179141135	/nfs/dbraw/zinc/14/11/35/179141135.db2.gz	WWKJCUJCQDMTHV-UHFFFAOYSA-N	0	0	229.239	1.331	50	70		BDIARN
CC(C)(C)OC(=O)N1CCS(=N)(=O)CC1	ZINC000218425053	363120984	/nfs/dbraw/zinc/12/09/84/363120984.db2.gz	YCOLCFXJGBOPGF-UHFFFAOYSA-N	0	0	234.321	1.284	50	70		BDIARN
Cc1nn(C)c(Cl)c1S(=O)(=O)F	ZINC000166625282	538114629	/nfs/dbraw/zinc/11/46/29/538114629.db2.gz	CRUDWYIDTFFJLX-UHFFFAOYSA-N	0	0	212.633	1.040	50	70		BDIARN
O=C(Nc1cnn(CC2CCOCC2)c1)C1CC1	ZINC000218204945	182395651	/nfs/dbraw/zinc/39/56/51/182395651.db2.gz	BHZPQEKZVRFDGY-UHFFFAOYSA-N	0	0	249.314	1.658	50	70		BDIARN
CC(=O)Nc1cnn(CC2CCOCC2)c1	ZINC000218203012	385794927	/nfs/dbraw/zinc/79/49/27/385794927.db2.gz	SNAWTVAYRDXCFK-UHFFFAOYSA-N	0	0	223.276	1.268	50	70		BDIARN
CCc1cc(C(=O)N[C@@H]2C[C@@H]3OCC[C@H]23)ccn1	ZINC000217498232	385885258	/nfs/dbraw/zinc/88/52/58/385885258.db2.gz	NWHBAYXSXCYDPS-UPJWGTAASA-N	0	0	246.310	1.551	50	70		BDIARN
Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccccc1	ZINC000218278071	385898957	/nfs/dbraw/zinc/89/89/57/385898957.db2.gz	BUYXNFCQSAZLGC-JTQLQIEISA-N	0	0	245.282	1.019	50	70		BDIARN
CCOC(=O)CN1CCO[C@@H]2CCCC[C@H]21	ZINC000217346947	170220528	/nfs/dbraw/zinc/22/05/28/170220528.db2.gz	NQVQHHVKTOGCGT-GHMZBOCLSA-N	0	0	227.304	1.193	50	70		BDIARN
Cc1csc(C(=O)N2CC(n3ccnn3)C2)c1	ZINC000217712827	534778903	/nfs/dbraw/zinc/77/89/03/534778903.db2.gz	DYYDTLREVOAQLP-UHFFFAOYSA-N	0	0	248.311	1.345	50	70		BDIARN
Cc1cc(F)ccc1CC(=O)NCc1cc[nH]n1	ZINC000218299224	178084310	/nfs/dbraw/zinc/08/43/10/178084310.db2.gz	SBUZDWTYSKMIIC-UHFFFAOYSA-N	0	0	247.273	1.716	50	70		BDIARN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)F)c1	ZINC000168461601	537846730	/nfs/dbraw/zinc/84/67/30/537846730.db2.gz	TYNYYQQHOOZVCQ-UHFFFAOYSA-N	0	0	239.611	1.906	50	70		BDIARN
CC(C)C[C@@]1(C)NC(=O)N(CC(F)F)C1=O	ZINC000159523811	350846194	/nfs/dbraw/zinc/84/61/94/350846194.db2.gz	SDYIBEVPQDINTD-SNVBAGLBSA-N	0	0	234.246	1.608	50	70		BDIARN
C[C@@H]1CN(CCOC(=O)N(C)C)C(C)(C)CO1	ZINC000160252311	355760324	/nfs/dbraw/zinc/76/03/24/355760324.db2.gz	SYWKBMZZNCWIDO-SNVBAGLBSA-N	0	0	244.335	1.184	50	70		BDIARN
COC(=O)c1ccncc1NC(=O)C(C)(C)C	ZINC000216706019	385871558	/nfs/dbraw/zinc/87/15/58/385871558.db2.gz	SAJFQGYLECXXOR-UHFFFAOYSA-N	0	0	236.271	1.853	50	70		BDIARN
C[C@H](C(N)=O)N1CCC[C@@H](C(F)(F)F)C1	ZINC000217851697	388574117	/nfs/dbraw/zinc/57/41/17/388574117.db2.gz	CXDKRRJBNWRLPC-RNFRBKRXSA-N	0	0	224.226	1.135	50	70		BDIARN
CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CCSC	ZINC000159597602	171369863	/nfs/dbraw/zinc/36/98/63/171369863.db2.gz	OBSADOCXFLGHPT-DTWKUNHWSA-N	0	0	218.366	1.181	50	70		BDIARN
COc1ccc(C#N)cc1S(=O)(=O)Cl	ZINC000104536210	264834802	/nfs/dbraw/zinc/83/48/02/264834802.db2.gz	MSZFGLJXUUVBRF-UHFFFAOYSA-N	0	0	231.660	1.494	50	70		BDIARN
Cc1cc(OCC(N)=O)c2cccc(C)c2n1	ZINC000217445043	178210063	/nfs/dbraw/zinc/21/00/63/178210063.db2.gz	DHSQEZOXPZSKGH-UHFFFAOYSA-N	0	0	230.267	1.716	50	70		BDIARN
CCc1ccccc1NC(=O)c1cc(=O)[nH]cn1	ZINC000217793494	388382190	/nfs/dbraw/zinc/38/21/90/388382190.db2.gz	QKQXMEWKITXVIE-UHFFFAOYSA-N	0	0	243.266	1.585	50	70		BDIARN
CC(=O)N1CC(Nc2ccc(O)cc2)=CC1=O	ZINC000218531152	188179419	/nfs/dbraw/zinc/17/94/19/188179419.db2.gz	KDEPBPJBOLARCM-UHFFFAOYSA-N	0	0	232.239	1.077	50	70		BDIARN
O=C(NCC[C@@H]1CCCCO1)Nc1ncco1	ZINC000160234029	355355056	/nfs/dbraw/zinc/35/50/56/355355056.db2.gz	IYBXVTBLGOZSSU-VIFPVBQESA-N	0	0	239.275	1.755	50	70		BDIARN
O=C(NC[C@H]1CCOC1)OCc1ccccc1	ZINC000218673050	368401048	/nfs/dbraw/zinc/40/10/48/368401048.db2.gz	QZKMPOJLSPSHQC-GFCCVEGCSA-N	0	0	235.283	1.949	50	70		BDIARN
CCOCC(=O)NCCc1nc2ccccc2o1	ZINC000218598678	170344215	/nfs/dbraw/zinc/34/42/15/170344215.db2.gz	XBNXSXCNFIBWDP-UHFFFAOYSA-N	0	0	248.282	1.523	50	70		BDIARN
Clc1ccc([SiH2]c2ccccc2)cc1	ZINC000169817597	583852863	/nfs/dbraw/zinc/85/28/63/583852863.db2.gz	LDVXVJDPDGIQRZ-UHFFFAOYSA-N	0	0	218.759	1.460	50	70		BDIARN
Cc1cc(Cn2cnc(C(C)C)cc2=O)no1	ZINC000160684219	178074972	/nfs/dbraw/zinc/07/49/72/178074972.db2.gz	LPZQUIBSLJGVKN-UHFFFAOYSA-N	0	0	233.271	1.711	50	70		BDIARN
CC(=O)N1CC(Nc2cccc(O)c2)=CC1=O	ZINC000218515357	188179041	/nfs/dbraw/zinc/17/90/41/188179041.db2.gz	ABMUBSIXOKPTLM-UHFFFAOYSA-N	0	0	232.239	1.077	50	70		BDIARN
Cc1c[nH]c(CN(C)C(=O)c2nc(C)c[nH]2)n1	ZINC000217498822	385884972	/nfs/dbraw/zinc/88/49/72/385884972.db2.gz	KUJOONIHKBDAJD-UHFFFAOYSA-N	0	0	233.275	1.022	50	70		BDIARN
O=C(/C=C/c1ccccc1)NCCn1cncn1	ZINC000218482217	385903279	/nfs/dbraw/zinc/90/32/79/385903279.db2.gz	JYRNPNQMIYGLOA-VOTSOKGWSA-N	0	0	242.282	1.108	50	70		BDIARN
CC(C)c1cc(=O)n(Cc2nccn2C)cn1	ZINC000160744534	387513485	/nfs/dbraw/zinc/51/34/85/387513485.db2.gz	RASRUEBAZLQKQQ-UHFFFAOYSA-N	0	0	232.287	1.149	50	70		BDIARN
C[C@@H](c1ccon1)N(C)C(=O)c1cccc(N)n1	ZINC000217123124	176036214	/nfs/dbraw/zinc/03/62/14/176036214.db2.gz	LZZTZNYINVPKID-QMMMGPOBSA-N	0	0	246.270	1.485	50	70		BDIARN
Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccccc1	ZINC000218278026	385899109	/nfs/dbraw/zinc/89/91/09/385899109.db2.gz	BUYXNFCQSAZLGC-SNVBAGLBSA-N	0	0	245.282	1.019	50	70		BDIARN
Cc1ccc(C)n1CC(=O)NCCn1ccnc1	ZINC000218492606	385902177	/nfs/dbraw/zinc/90/21/77/385902177.db2.gz	PNHLZIUBCKRHPU-UHFFFAOYSA-N	0	0	246.314	1.118	50	70		BDIARN
Cc1cnccc1CN(C)C(=O)c1cnco1	ZINC000218742452	385907440	/nfs/dbraw/zinc/90/74/40/385907440.db2.gz	QYPKWVBSRMYSOH-UHFFFAOYSA-N	0	0	231.255	1.650	50	70		BDIARN
C[SiH](C)[Si](C)([SiH](C)C)[SiH](C)C	ZINC000169817751	398031754	/nfs/dbraw/zinc/03/17/54/398031754.db2.gz	RXUVTQUYUYZESC-UHFFFAOYSA-N	0	0	220.613	1.760	50	70		BDIARN
Cn1cnnc1CN1CCc2ccccc2C1	ZINC000160667863	357165465	/nfs/dbraw/zinc/16/54/65/357165465.db2.gz	VIBVHSSJAXMMMX-UHFFFAOYSA-N	0	0	228.299	1.373	50	70		BDIARN
O=C(NCC[C@H](O)c1ccsc1)C1CC1	ZINC000217523920	182200043	/nfs/dbraw/zinc/20/00/43/182200043.db2.gz	JGDVFXHIQFPPMX-JTQLQIEISA-N	0	0	225.313	1.698	50	70		BDIARN
OCc1cc2n(n1)CCCN(Cc1ccco1)C2	ZINC000217632368	183161679	/nfs/dbraw/zinc/16/16/79/183161679.db2.gz	UUKHPSUCEAUDNU-UHFFFAOYSA-N	0	0	247.298	1.374	50	70		BDIARN
Cc1cc(C)c(CNC(=O)[C@@]2(C)CCCO2)cn1	ZINC000218420219	385903055	/nfs/dbraw/zinc/90/30/55/385903055.db2.gz	RVKDKMULIXVELK-CQSZACIVSA-N	0	0	248.326	1.884	50	70		BDIARN
Cc1nc(C)c(C)c(N[C@@H]2C[C@@H]3OCC[C@H]23)n1	ZINC000216946811	179909041	/nfs/dbraw/zinc/90/90/41/179909041.db2.gz	HCMLXGQHKQNSAS-UTUOFQBUSA-N	0	0	233.315	1.991	50	70		BDIARN
CC(=O)NCCn1ccc(-c2ccsc2)n1	ZINC000217883466	187665155	/nfs/dbraw/zinc/66/51/55/187665155.db2.gz	ZXTDWCDMONVWSL-UHFFFAOYSA-N	0	0	235.312	1.748	50	70		BDIARN
CCc1nc(Cn2cnc(C(C)C)cc2=O)no1	ZINC000160781847	358548189	/nfs/dbraw/zinc/54/81/89/358548189.db2.gz	WRQYHLYJOAGVGP-UHFFFAOYSA-N	0	0	248.286	1.360	50	70		BDIARN
O=C(CC1(n2cccc2)CCOCC1)NC1CC1	ZINC000218327799	385900726	/nfs/dbraw/zinc/90/07/26/385900726.db2.gz	VKSBILUTTCWAPI-UHFFFAOYSA-N	0	0	248.326	1.663	50	70		BDIARN
C[C@@H](NC(=O)c1ccc(O)cn1)c1cnn(C)c1	ZINC000217207693	385879943	/nfs/dbraw/zinc/87/99/43/385879943.db2.gz	HBPQOZXTDCVZHT-MRVPVSSYSA-N	0	0	246.270	1.012	50	70		BDIARN
Cc1cc(=O)c(O)c([C@H](CC(N)=O)C(C)C)o1	ZINC000217764678	388380707	/nfs/dbraw/zinc/38/07/07/388380707.db2.gz	BBHNKXKPADYZMH-MRVPVSSYSA-N	0	0	239.271	1.269	50	70	biogenic	BDIARN
COC(=O)c1ccn(C(=O)OC(C)(C)C)n1	ZINC000216702174	398093428	/nfs/dbraw/zinc/09/34/28/398093428.db2.gz	BVQUOORGRDGCMX-UHFFFAOYSA-N	0	0	226.232	1.453	50	70		BDIARN
CCc1ccc(C(=O)N[C@@H]2C[C@@H]3OCC[C@H]23)[nH]1	ZINC000216947761	171787038	/nfs/dbraw/zinc/78/70/38/171787038.db2.gz	KKJOOIUGDDESRE-JLLWLGSASA-N	0	0	234.299	1.484	50	70		BDIARN
O=C(NCC[C@H]1CCCCO1)Nc1ncco1	ZINC000160234156	355354947	/nfs/dbraw/zinc/35/49/47/355354947.db2.gz	IYBXVTBLGOZSSU-SECBINFHSA-N	0	0	239.275	1.755	50	70		BDIARN
O=C(NCC[C@@H](O)c1ccsc1)C1CC1	ZINC000217523831	182199120	/nfs/dbraw/zinc/19/91/20/182199120.db2.gz	JGDVFXHIQFPPMX-SNVBAGLBSA-N	0	0	225.313	1.698	50	70		BDIARN
COCCNC(=O)Nc1ccn2nccc2c1	ZINC000217961075	174325280	/nfs/dbraw/zinc/32/52/80/174325280.db2.gz	FEINMLSJPGDIRB-UHFFFAOYSA-N	0	0	234.259	1.102	50	70		BDIARN
Nc1ccc(C(=O)NCCC[C@@H]2CCOC2)cn1	ZINC000218364053	181701044	/nfs/dbraw/zinc/70/10/44/181701044.db2.gz	DPRQDHAQWXUPGI-SNVBAGLBSA-N	0	0	249.314	1.210	50	70		BDIARN
Cc1ccc(C)n1CC(=O)NCCc1c[nH]cn1	ZINC000218422555	385902387	/nfs/dbraw/zinc/90/23/87/385902387.db2.gz	PVKKBXSNMFGDER-UHFFFAOYSA-N	0	0	246.314	1.187	50	70		BDIARN
C[C@H](NC(=O)c1ccc(O)cn1)c1cnn(C)c1	ZINC000217207697	385879596	/nfs/dbraw/zinc/87/95/96/385879596.db2.gz	HBPQOZXTDCVZHT-QMMMGPOBSA-N	0	0	246.270	1.012	50	70		BDIARN
Nc1ccc(C(=O)NCCC[C@H]2CCOC2)cn1	ZINC000218364152	386735120	/nfs/dbraw/zinc/73/51/20/386735120.db2.gz	DPRQDHAQWXUPGI-JTQLQIEISA-N	0	0	249.314	1.210	50	70		BDIARN
C[C@@H](C(N)=O)N1CCC[C@@H](C(F)(F)F)C1	ZINC000217851596	388573880	/nfs/dbraw/zinc/57/38/80/388573880.db2.gz	CXDKRRJBNWRLPC-NKWVEPMBSA-N	0	0	224.226	1.135	50	70		BDIARN
O=C(NCCSC1CCOCC1)C1CCC1	ZINC000217698552	526370560	/nfs/dbraw/zinc/37/05/60/526370560.db2.gz	MURFTVKACAPWND-UHFFFAOYSA-N	0	0	243.372	1.815	50	70		BDIARN
CC(C)(C)c1cnc(S(C)(=O)=O)s1	ZINC000160341804	387459016	/nfs/dbraw/zinc/45/90/16/387459016.db2.gz	DCISIDHKLNHFKE-UHFFFAOYSA-N	0	0	219.331	1.844	50	70		BDIARN
N#Cc1ccc(S(=O)(=O)Cl)s1	ZINC000216652713	268189812	/nfs/dbraw/zinc/18/98/12/268189812.db2.gz	NLZKHEBCUFNQKA-UHFFFAOYSA-N	0	0	207.663	1.547	50	70		BDIARN
O=C(NC[C@@H]1CCOC1)OCc1ccccc1	ZINC000218673145	368401344	/nfs/dbraw/zinc/40/13/44/368401344.db2.gz	QZKMPOJLSPSHQC-LBPRGKRZSA-N	0	0	235.283	1.949	50	70		BDIARN
COC(=O)c1nc(C)cc(C(F)(F)F)n1	ZINC000217021987	385876338	/nfs/dbraw/zinc/87/63/38/385876338.db2.gz	UZMCVIJUXWDKGB-UHFFFAOYSA-N	0	0	220.150	1.590	50	70		BDIARN
Cc1ccc(C(=O)NCCc2cn[nH]c2)c(O)c1	ZINC000217359347	386734484	/nfs/dbraw/zinc/73/44/84/386734484.db2.gz	ZLYIURFEHOVLSG-UHFFFAOYSA-N	0	0	245.282	1.396	50	70		BDIARN
CCOCC(=O)N[C@H](CC)c1ncccc1C	ZINC000218305935	170347280	/nfs/dbraw/zinc/34/72/80/170347280.db2.gz	OIHDGKOEUYPNRS-LLVKDONJSA-N	0	0	236.315	1.994	50	70		BDIARN
CC(=O)NCCn1ccnc1-c1ccccn1	ZINC000217857561	188356098	/nfs/dbraw/zinc/35/60/98/188356098.db2.gz	XQQICSBBROLZSY-UHFFFAOYSA-N	0	0	230.271	1.081	50	70		BDIARN
O=C(NCC[C@@H](O)C1CCOCC1)C1CCC1	ZINC000217912902	182199379	/nfs/dbraw/zinc/19/93/79/182199379.db2.gz	MVIAPPOWGXRSGQ-GFCCVEGCSA-N	0	0	241.331	1.080	50	70		BDIARN
COc1cccnc1NCc1cnn(C)c1	ZINC000159448919	175357115	/nfs/dbraw/zinc/35/71/15/175357115.db2.gz	TYFDCRQPDQORHR-UHFFFAOYSA-N	0	0	218.260	1.436	50	70		BDIARN
CC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1	ZINC000218509485	385902702	/nfs/dbraw/zinc/90/27/02/385902702.db2.gz	SEFBICNSLJIETJ-ZIAGYGMSSA-N	0	0	249.310	1.497	50	70		BDIARN
CCc1cc(C(=O)N(C)Cc2ccon2)ccn1	ZINC000218592413	385904147	/nfs/dbraw/zinc/90/41/47/385904147.db2.gz	DKXGGASJKFXHLS-UHFFFAOYSA-N	0	0	245.282	1.904	50	70		BDIARN
CC(C)c1cc(CN(C)c2ncncn2)on1	ZINC000218534296	385904775	/nfs/dbraw/zinc/90/47/75/385904775.db2.gz	WCSCMEBLOKSETP-UHFFFAOYSA-N	0	0	233.275	1.619	50	70		BDIARN
Cc1cc(O)ccc1C(=O)N(C)Cc1cc[nH]n1	ZINC000217059909	386734620	/nfs/dbraw/zinc/73/46/20/386734620.db2.gz	FWJSNJFGVLTYMM-UHFFFAOYSA-N	0	0	245.282	1.696	50	70		BDIARN
Cc1nnc(Cn2cnc3c2CCCC3)o1	ZINC000160722003	387110592	/nfs/dbraw/zinc/11/05/92/387110592.db2.gz	XDQFMCBGFMVAIP-UHFFFAOYSA-N	0	0	218.260	1.502	50	70		BDIARN
CC(=O)c1cccc(C(=O)NC[C@H]2CCOC2)c1	ZINC000218068941	398099940	/nfs/dbraw/zinc/09/99/40/398099940.db2.gz	KSJJJYRASOPRTQ-LLVKDONJSA-N	0	0	247.294	1.656	50	70		BDIARN
CC(C)C[C@@H](Nc1ncncn1)c1ncnn1C	ZINC000218059223	398100152	/nfs/dbraw/zinc/10/01/52/398100152.db2.gz	NWAKKJYOZVVSDP-SECBINFHSA-N	0	0	247.306	1.199	50	70		BDIARN
COc1ccc(C(=O)NCC2(C)COC2)c(C)c1	ZINC000216973420	175059228	/nfs/dbraw/zinc/05/92/28/175059228.db2.gz	NIQRGBQENPMPOX-UHFFFAOYSA-N	0	0	249.310	1.770	50	70		BDIARN
C[C@H](c1ccon1)N(C)C(=O)c1cccc(N)n1	ZINC000217123133	177051451	/nfs/dbraw/zinc/05/14/51/177051451.db2.gz	LZZTZNYINVPKID-MRVPVSSYSA-N	0	0	246.270	1.485	50	70		BDIARN
O=C(NCCCNc1cccnc1)[C@H]1CCCO1	ZINC000218208381	527677680	/nfs/dbraw/zinc/67/76/80/527677680.db2.gz	FMNHZAGDQZOEFG-GFCCVEGCSA-N	0	0	249.314	1.179	50	70		BDIARN
Cc1cc(CN(C)C(=O)c2cncc(F)c2)on1	ZINC000218559888	385904098	/nfs/dbraw/zinc/90/40/98/385904098.db2.gz	JXQHXAKELRZVFW-UHFFFAOYSA-N	0	0	249.245	1.789	50	70		BDIARN
CC(C)C[C@H](Nc1ncncn1)c1ncnn1C	ZINC000218059283	398099736	/nfs/dbraw/zinc/09/97/36/398099736.db2.gz	NWAKKJYOZVVSDP-VIFPVBQESA-N	0	0	247.306	1.199	50	70		BDIARN
CCc1ncnc(NCc2cnn(C)c2C)c1F	ZINC000218086196	172033525	/nfs/dbraw/zinc/03/35/25/172033525.db2.gz	ZHLGDNHVWCRULD-UHFFFAOYSA-N	0	0	249.293	1.832	50	70		BDIARN
CN(C)C(=O)c1ccc(C(F)(F)F)cn1	ZINC000161102763	172390013	/nfs/dbraw/zinc/39/00/13/172390013.db2.gz	GUNWRJIGBBJVKF-UHFFFAOYSA-N	0	0	218.178	1.802	50	70		BDIARN
C[C@H]1CN(CCOC(=O)N(C)C)C(C)(C)CO1	ZINC000160252439	355760476	/nfs/dbraw/zinc/76/04/76/355760476.db2.gz	SYWKBMZZNCWIDO-JTQLQIEISA-N	0	0	244.335	1.184	50	70		BDIARN
OCc1cc2n(n1)CCCN(Cc1ccoc1)C2	ZINC000217023956	183161255	/nfs/dbraw/zinc/16/12/55/183161255.db2.gz	MJNNPFAIHNUJDA-UHFFFAOYSA-N	0	0	247.298	1.374	50	70		BDIARN
Cc1noc(C)c1CNc1nccc(N(C)C)n1	ZINC000160474075	387096758	/nfs/dbraw/zinc/09/67/58/387096758.db2.gz	OQCASCOXNVKQSH-UHFFFAOYSA-N	0	0	247.302	1.760	50	70		BDIARN
O=C(c1ccsc1)N1CC(n2ccnn2)C1	ZINC000217712605	388380081	/nfs/dbraw/zinc/38/00/81/388380081.db2.gz	JJZCGAXLIITHDE-UHFFFAOYSA-N	0	0	234.284	1.037	50	70		BDIARN
CC(=O)c1cccc(C(=O)NC[C@@H]2CCOC2)c1	ZINC000218068873	398100052	/nfs/dbraw/zinc/10/00/52/398100052.db2.gz	KSJJJYRASOPRTQ-NSHDSACASA-N	0	0	247.294	1.656	50	70		BDIARN
N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)F	ZINC000238857237	268021620	/nfs/dbraw/zinc/02/16/20/268021620.db2.gz	YKWBINZNKKWEJP-UHFFFAOYSA-N	0	0	230.176	1.125	50	70		BDIARN
O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1cc(Cl)c[nH]1	ZINC000218349503	182344668	/nfs/dbraw/zinc/34/46/68/182344668.db2.gz	JLWLYWOAXBRZQP-WEDXCCLWSA-N	0	0	240.690	1.575	50	70		BDIARN
Cc1n[nH]c(C)c1CCCN(C)c1ncncn1	ZINC000218413256	385902508	/nfs/dbraw/zinc/90/25/08/385902508.db2.gz	MOVPFCYQTAIVJN-UHFFFAOYSA-N	0	0	246.318	1.281	50	70		BDIARN
CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1nc(C)c[nH]1)C2	ZINC000217153104	385878189	/nfs/dbraw/zinc/87/81/89/385878189.db2.gz	BVNDJGXSKMDCLF-URLYPYJESA-N	0	0	249.314	1.215	50	70		BDIARN
Cc1cnc(Cn2cnc(C(C)C)cc2=O)o1	ZINC000160775460	387479533	/nfs/dbraw/zinc/47/95/33/387479533.db2.gz	URSYCPBKWPNVPX-UHFFFAOYSA-N	0	0	233.271	1.711	50	70		BDIARN
CC(C)=C1[C@@H]2C=C[C@H]1[C@@H]1C(=O)NC(=O)[C@@H]21	ZINC000217432611	388372954	/nfs/dbraw/zinc/37/29/54/388372954.db2.gz	MOUDGOQQAUDGFJ-MBLNEYKQSA-N	0	0	203.241	1.027	50	70		BDIARN
Cc1[nH]c2ccccc2c(=O)c1CCC(N)=O	ZINC000217433017	388372857	/nfs/dbraw/zinc/37/28/57/388372857.db2.gz	GLTIUGLWBQCASE-UHFFFAOYSA-N	0	0	230.267	1.254	50	70		BDIARN
CN(Cc1ncc[nH]1)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1	ZINC000218642069	411311303	/nfs/dbraw/zinc/31/13/03/411311303.db2.gz	KZFDKKGMZHIFSC-NVRFYQKYSA-N	0	0	245.326	1.660	50	70		BDIARN
Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3O)c(C)o1	ZINC000216999280	385876806	/nfs/dbraw/zinc/87/68/06/385876806.db2.gz	AGYXLXGHJXUNEN-PJXYFTJBSA-N	0	0	249.310	1.739	50	70		BDIARN
O=C(c1ccoc1)N1CCc2oncc2C1	ZINC000217693644	387142566	/nfs/dbraw/zinc/14/25/66/387142566.db2.gz	ZKVBIEKYTVBKMF-UHFFFAOYSA-N	0	0	218.212	1.466	50	70		BDIARN
CCc1ccc(C(=O)NCc2c(C)n[nH]c2C)[nH]1	ZINC000218641974	411311076	/nfs/dbraw/zinc/31/10/76/411311076.db2.gz	LNSICBVXTVYUSD-UHFFFAOYSA-N	0	0	246.314	1.847	50	70		BDIARN
CCOC(=O)CN1CCO[C@H]2CCCC[C@H]21	ZINC000217347022	170220656	/nfs/dbraw/zinc/22/06/56/170220656.db2.gz	NQVQHHVKTOGCGT-MNOVXSKESA-N	0	0	227.304	1.193	50	70		BDIARN
CCc1nnc(CN(CC)C(C)(C)CO)s1	ZINC000159837800	351011372	/nfs/dbraw/zinc/01/13/72/351011372.db2.gz	VRCNDIJLTOCCGG-UHFFFAOYSA-N	0	0	243.376	1.693	50	70		BDIARN
O=C(NCC[C@H](O)C1CCOCC1)C1CCC1	ZINC000217912821	182200711	/nfs/dbraw/zinc/20/07/11/182200711.db2.gz	MVIAPPOWGXRSGQ-LBPRGKRZSA-N	0	0	241.331	1.080	50	70		BDIARN
C/C=C/C(=O)Nc1cnn(CC2CCOCC2)c1	ZINC000218205660	385790334	/nfs/dbraw/zinc/79/03/34/385790334.db2.gz	FMRBRNBDBRVHQL-NSCUHMNNSA-N	0	0	249.314	1.824	50	70		BDIARN
Cc1cc(C)c(CNC(=O)[C@]2(C)CCCO2)cn1	ZINC000218420297	385902536	/nfs/dbraw/zinc/90/25/36/385902536.db2.gz	RVKDKMULIXVELK-AWEZNQCLSA-N	0	0	248.326	1.884	50	70		BDIARN
CC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1nc(C)c[nH]1	ZINC000218511963	171162847	/nfs/dbraw/zinc/16/28/47/171162847.db2.gz	LDLIKQLEUBUXKF-VPOLOUISSA-N	0	0	249.314	1.261	50	70		BDIARN
COc1ncc(-c2ccc(O)cc2)cn1	ZINC000216709684	175397228	/nfs/dbraw/zinc/39/72/28/175397228.db2.gz	YBSSATUILXDAIK-UHFFFAOYSA-N	0	0	202.213	1.858	50	70		BDIARN