smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCCn4cnc(CNC5CCC5)c4C3)cc2c1Cl	ZINC001164842431	720741298	/nfs/dbraw/zinc/74/12/98/720741298.db2.gz	DUDMHUUSYVDXOA-UHFFFAOYSA-N	0	3	491.373	5.207	20	30		JKEDHN
N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164868016	721186878	/nfs/dbraw/zinc/18/68/78/721186878.db2.gz	JJSJZTPADTXLPS-NSOVKSMOSA-N	0	3	487.607	5.162	20	30		JKEDHN
N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164868018	721186988	/nfs/dbraw/zinc/18/69/88/721186988.db2.gz	JJSJZTPADTXLPS-VSGBNLITSA-N	0	3	487.607	5.162	20	30		JKEDHN
N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)cc1F	ZINC001164993797	722201106	/nfs/dbraw/zinc/20/11/06/722201106.db2.gz	BPSVVUXCMTUXHQ-VWLOTQADSA-N	0	3	465.935	5.192	20	30		JKEDHN
N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1	ZINC001164912873	721739036	/nfs/dbraw/zinc/73/90/36/721739036.db2.gz	QSIWRXOEHVYFSU-QHCPKHFHSA-N	0	3	488.369	5.546	20	30		JKEDHN
N#CCc1ccc(OCc2ccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nc2)cc1	ZINC001164993854	722208848	/nfs/dbraw/zinc/20/88/48/722208848.db2.gz	CGQBUVMKSHXCMQ-NDEPHWFRSA-N	0	3	456.565	5.111	20	30		JKEDHN
Cc1cccc2nc(Cl)c(C#N)c(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c12	ZINC001164913081	721739442	/nfs/dbraw/zinc/73/94/42/721739442.db2.gz	SGXHWXUFKWYHPM-XMMPIXPASA-N	0	3	467.951	5.201	20	30		JKEDHN
N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164868020	721187044	/nfs/dbraw/zinc/18/70/44/721187044.db2.gz	JJSJZTPADTXLPS-WUFINQPMSA-N	0	3	487.607	5.162	20	30		JKEDHN
N#Cc1ccc(-c2cc(C(F)(F)N3CCCn4cnc(CNC5CCC5)c4C3)cnc2Cl)cc1	ZINC001164843936	720741784	/nfs/dbraw/zinc/74/17/84/720741784.db2.gz	MULRWWGLHVBQFX-UHFFFAOYSA-N	0	3	482.966	5.067	20	30		JKEDHN
Cc1cccc2nc(Cl)c(C#N)c(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c12	ZINC001164913080	721739059	/nfs/dbraw/zinc/73/90/59/721739059.db2.gz	SGXHWXUFKWYHPM-DEOSSOPVSA-N	0	3	467.951	5.201	20	30		JKEDHN
N#CCCN(c1c2c(cnc1Cl)C1(CCN(Cc3ccccc3)CC1)OC2=O)C1CCCC1	ZINC001165018421	721835672	/nfs/dbraw/zinc/83/56/72/721835672.db2.gz	PRKLRKZUVQFEOA-UHFFFAOYSA-N	0	3	464.997	5.059	20	30		JKEDHN
N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)cc1F	ZINC001164993796	722200773	/nfs/dbraw/zinc/20/07/73/722200773.db2.gz	BPSVVUXCMTUXHQ-RUZDIDTESA-N	0	3	465.935	5.192	20	30		JKEDHN
N#Cc1cccc(-c2cc(C(F)(F)N3CCCn4cnc(CNC5CCC5)c4C3)cnc2Cl)c1	ZINC001164844300	720741520	/nfs/dbraw/zinc/74/15/20/720741520.db2.gz	OXUQBGNWPWCNMW-UHFFFAOYSA-N	0	3	482.966	5.067	20	30		JKEDHN
N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164868007	721186343	/nfs/dbraw/zinc/18/63/43/721186343.db2.gz	JJSJZTPADTXLPS-IZLXSDGUSA-N	0	3	487.607	5.162	20	30		JKEDHN
N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1	ZINC001164912870	721739140	/nfs/dbraw/zinc/73/91/40/721739140.db2.gz	QSIWRXOEHVYFSU-HSZRJFAPSA-N	0	3	488.369	5.546	20	30		JKEDHN
Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c12	ZINC001164909130	721739148	/nfs/dbraw/zinc/73/91/48/721739148.db2.gz	CAQPPNDGPGSAAJ-DEOSSOPVSA-N	0	3	485.941	5.340	20	30		JKEDHN
Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c12	ZINC001164909131	721739588	/nfs/dbraw/zinc/73/95/88/721739588.db2.gz	CAQPPNDGPGSAAJ-XMMPIXPASA-N	0	3	485.941	5.340	20	30		JKEDHN
N#CCc1ccc(OCc2ccc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nc2)cc1	ZINC001164993846	722209270	/nfs/dbraw/zinc/20/92/70/722209270.db2.gz	CGQBUVMKSHXCMQ-MUUNZHRXSA-N	0	3	456.565	5.111	20	30		JKEDHN