smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc3c(c1C#N)CCC[NH2+]C3)C2	ZINC001164907865	721744783	/nfs/dbraw/zinc/74/47/83/721744783.db2.gz	BVQNWOIXFMCYCV-UHFFFAOYSA-N	2	1	428.540	3.172	20	30		IGEDMP
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc3c(c1C#N)CCC[NH2+]C3)C2	ZINC001164907865	721744787	/nfs/dbraw/zinc/74/47/87/721744787.db2.gz	BVQNWOIXFMCYCV-UHFFFAOYSA-N	2	1	428.540	3.172	20	30		IGEDMP
CC(C)[N@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2cccc(C#N)c2)c2c1CC[NH2+]C2	ZINC001164680984	719652574	/nfs/dbraw/zinc/65/25/74/719652574.db2.gz	KPCODAYXBNVGQG-UHFFFAOYSA-N	2	1	437.935	3.466	20	30		IGEDMP
CC(C)[N@@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2cccc(C#N)c2)c2c1CC[NH2+]C2	ZINC001164680984	719652580	/nfs/dbraw/zinc/65/25/80/719652580.db2.gz	KPCODAYXBNVGQG-UHFFFAOYSA-N	2	1	437.935	3.466	20	30		IGEDMP
CC(C)[N@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2ccccc2C#N)c2c1CC[NH2+]C2	ZINC001164684620	719652291	/nfs/dbraw/zinc/65/22/91/719652291.db2.gz	YIFYFXQCUORIDP-UHFFFAOYSA-N	2	1	437.935	3.466	20	30		IGEDMP
CC(C)[N@@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2ccccc2C#N)c2c1CC[NH2+]C2	ZINC001164684620	719652294	/nfs/dbraw/zinc/65/22/94/719652294.db2.gz	YIFYFXQCUORIDP-UHFFFAOYSA-N	2	1	437.935	3.466	20	30		IGEDMP
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc3c(c1C#N)CCC[NH2+]C3)CC2	ZINC001164840509	720659461	/nfs/dbraw/zinc/65/94/61/720659461.db2.gz	MYXTYZFKZJKFHI-QFIPXVFZSA-N	2	1	431.584	3.249	20	30		IGEDMP
CC(C)[N@H+](C)Cc1nn(-c2ccc(COc3ccc(CC#N)cc3)cn2)c2c1CC[NH2+]C2	ZINC001164680157	719640033	/nfs/dbraw/zinc/64/00/33/719640033.db2.gz	QJIQROUSUQTTJG-UHFFFAOYSA-N	2	1	430.556	3.398	20	30		IGEDMP
CC(C)[N@@H+](C)Cc1nn(-c2ccc(COc3ccc(CC#N)cc3)cn2)c2c1CC[NH2+]C2	ZINC001164680157	719640047	/nfs/dbraw/zinc/64/00/47/719640047.db2.gz	QJIQROUSUQTTJG-UHFFFAOYSA-N	2	1	430.556	3.398	20	30		IGEDMP
CSc1nc(-c2ccccc2)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C#N	ZINC001164683115	719629242	/nfs/dbraw/zinc/62/92/42/719629242.db2.gz	QUNVMPHKJNVLJQ-UHFFFAOYSA-N	2	1	433.585	3.409	20	30		IGEDMP
CSc1nc(-c2ccccc2)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C#N	ZINC001164683115	719629246	/nfs/dbraw/zinc/62/92/46/719629246.db2.gz	QUNVMPHKJNVLJQ-UHFFFAOYSA-N	2	1	433.585	3.409	20	30		IGEDMP
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc3c(c1C#N)CCC[NH2+]C3)CC2	ZINC001164840507	720659202	/nfs/dbraw/zinc/65/92/02/720659202.db2.gz	MYXTYZFKZJKFHI-JOCHJYFZSA-N	2	1	431.584	3.249	20	30		IGEDMP
N#Cc1c2c(cnc1N1CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C1)C[NH2+]CCC2	ZINC001164906161	721584306	/nfs/dbraw/zinc/58/43/06/721584306.db2.gz	ZDSXJJBLVDIUFC-HSZRJFAPSA-N	2	1	438.526	3.122	20	30		IGEDMP
CC(C)[N@H+](C)Cc1nn(-c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)c2c1CC[NH2+]C2	ZINC001164683396	719624770	/nfs/dbraw/zinc/62/47/70/719624770.db2.gz	SGSOVNFZDIXOEE-UHFFFAOYSA-N	2	1	439.926	3.479	20	30		IGEDMP
CC(C)[N@@H+](C)Cc1nn(-c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)c2c1CC[NH2+]C2	ZINC001164683396	719624781	/nfs/dbraw/zinc/62/47/81/719624781.db2.gz	SGSOVNFZDIXOEE-UHFFFAOYSA-N	2	1	439.926	3.479	20	30		IGEDMP
CC(C)[N@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2ccc(C#N)cc2)c2c1CC[NH2+]C2	ZINC001164680714	719651581	/nfs/dbraw/zinc/65/15/81/719651581.db2.gz	ICQXMXRRRKXDIB-UHFFFAOYSA-N	2	1	437.935	3.466	20	30		IGEDMP
CC(C)[N@@H+](C)Cc1nn(-c2cnc(Cl)nc2Oc2ccc(C#N)cc2)c2c1CC[NH2+]C2	ZINC001164680714	719651589	/nfs/dbraw/zinc/65/15/89/719651589.db2.gz	ICQXMXRRRKXDIB-UHFFFAOYSA-N	2	1	437.935	3.466	20	30		IGEDMP
N#Cc1c2c(cnc1N1CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C1)C[NH2+]CCC2	ZINC001164906162	721584183	/nfs/dbraw/zinc/58/41/83/721584183.db2.gz	ZDSXJJBLVDIUFC-QHCPKHFHSA-N	2	1	438.526	3.122	20	30		IGEDMP