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](C#N)Oc1ccc(CN2CCC(OCC3CCCC3)CC2)cc1	ZINC000093818292	1039759984	/nfs/dbraw/zinc/75/99/84/1039759984.db2.gz	ATFFVDWKUACLDP-KRWDZBQOSA-N	0	3	342.483	4.149	10	30		EIEEHN
NCC#Cc1ccc(CSc2cccc(Br)c2)cc1	ZINC000055309085	214305375	/nfs/dbraw/zinc/30/53/75/214305375.db2.gz	SAUAIYQRGXECKA-UHFFFAOYSA-N	0	3	332.266	4.052	10	30		EIEEHN
N#Cc1ccccc1CN1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1	ZINC000065466429	564134340	/nfs/dbraw/zinc/13/43/40/564134340.db2.gz	LADFUUYHCAHDIA-OAQYLSRUSA-N	0	3	340.430	4.005	10	30		EIEEHN
C[C@@H]1CCC[C@@H](C)N1CC#C[C@](O)(c1ccccc1)C1CCCC1	ZINC000230227467	564155185	/nfs/dbraw/zinc/15/51/85/564155185.db2.gz	ATYQNPRNSQFWAE-KNKQGSTJSA-N	0	3	325.496	4.331	10	30		EIEEHN
CCCN[C@H](C)c1cc(Br)ccc1O[C@@H](C#N)CC	ZINC000052067807	214115191	/nfs/dbraw/zinc/11/51/91/214115191.db2.gz	UEDICIOMAGHEDG-DGCLKSJQSA-N	0	3	325.250	4.191	10	30		EIEEHN
NCC#Cc1csc(CSc2cccc(Br)c2)c1	ZINC000055309071	214304966	/nfs/dbraw/zinc/30/49/66/214304966.db2.gz	DFGVGTQEUXYPMP-UHFFFAOYSA-N	0	3	338.295	4.113	10	30		EIEEHN
N#Cc1ccccc1CN1CC[C@H](c2ccnc(-c3ccncc3)c2)C1	ZINC000065466426	564134359	/nfs/dbraw/zinc/13/43/59/564134359.db2.gz	LADFUUYHCAHDIA-NRFANRHFSA-N	0	3	340.430	4.005	10	30		EIEEHN
C=CCNCc1cccc(OC)c1OCc1ccc(F)cc1Cl	ZINC000020876225	518956236	/nfs/dbraw/zinc/95/62/36/518956236.db2.gz	TZOPWPNILPRECG-UHFFFAOYSA-N	0	3	335.806	4.342	10	30		EIEEHN
Cc1csc(C2CCN(Cc3ccc(O[C@H](C)C#N)cc3)CC2)n1	ZINC000092787378	1039590420	/nfs/dbraw/zinc/59/04/20/1039590420.db2.gz	UUKNQKUUDNWRDT-OAHLLOKOSA-N	0	3	341.480	4.122	10	30		EIEEHN
CCCN[C@H](C)c1cc(Br)ccc1O[C@H](C#N)CC	ZINC000052067805	214114885	/nfs/dbraw/zinc/11/48/85/214114885.db2.gz	UEDICIOMAGHEDG-YPMHNXCESA-N	0	3	325.250	4.191	10	30		EIEEHN
C[C@@H]1CCC[C@H](C)N1CC#C[C@](O)(c1ccccc1)C1CCCC1	ZINC000230227475	564155177	/nfs/dbraw/zinc/15/51/77/564155177.db2.gz	ATYQNPRNSQFWAE-JQVVWYNYSA-N	0	3	325.496	4.331	10	30		EIEEHN
C=CCC1(CC=C)CCCN1Cc1nc(Cc2ccccc2F)no1	ZINC000012297841	211334747	/nfs/dbraw/zinc/33/47/47/211334747.db2.gz	JLGRTBDXRKDEHV-UHFFFAOYSA-N	0	3	341.430	4.286	10	30		EIEEHN
C=CCC[C@@H](O)CN(Cc1ccc(F)cc1)Cc1cccc(OC)c1	ZINC000036098542	564096007	/nfs/dbraw/zinc/09/60/07/564096007.db2.gz	SKEYDULTDWUJFJ-HXUWFJFHSA-N	0	3	343.442	4.164	10	30		EIEEHN
Fc1ccc(C(O/N=C2/CN3CCC2CC3)c2ccc(F)cc2)cc1	ZINC000004655676	210238168	/nfs/dbraw/zinc/23/81/68/210238168.db2.gz	DWSFDXBXQWAKMY-NMWGTECJSA-N	0	3	342.389	4.152	10	30		EIEEHN
C=C(CN(C)C)[C@@](Cc1ccccc1)(OC(=O)CC)c1ccccc1	ZINC000003623586	210068438	/nfs/dbraw/zinc/06/84/38/210068438.db2.gz	QNYRJYLGBCLNFA-JOCHJYFZSA-N	0	3	337.463	4.196	10	30	in-man	EIEEHN
C=CCC[C@H](CN(C)Cc1cccnc1)Oc1nccc2ccccc21	ZINC000072470045	564063842	/nfs/dbraw/zinc/06/38/42/564063842.db2.gz	JBZVODPBPLLMTI-HXUWFJFHSA-N	0	3	347.462	4.475	10	30		EIEEHN
CCCN[C@@H](C)c1cc(Br)ccc1O[C@@H](C#N)CC	ZINC000052067806	214114479	/nfs/dbraw/zinc/11/44/79/214114479.db2.gz	UEDICIOMAGHEDG-WCQYABFASA-N	0	3	325.250	4.191	10	30		EIEEHN
C=C(CN(C)C)[C@](Cc1ccccc1)(OC(=O)CC)c1ccccc1	ZINC000003623588	210069104	/nfs/dbraw/zinc/06/91/04/210069104.db2.gz	QNYRJYLGBCLNFA-QFIPXVFZSA-N	0	3	337.463	4.196	10	30	in-man	EIEEHN
C=CCC[C@@H](CN(C)Cc1cccnc1)Oc1nccc2ccccc21	ZINC000072470047	564063822	/nfs/dbraw/zinc/06/38/22/564063822.db2.gz	JBZVODPBPLLMTI-FQEVSTJZSA-N	0	3	347.462	4.475	10	30		EIEEHN
Cc1csc(C2CCN(Cc3ccc(O[C@@H](C)C#N)cc3)CC2)n1	ZINC000092787377	1039592185	/nfs/dbraw/zinc/59/21/85/1039592185.db2.gz	UUKNQKUUDNWRDT-HNNXBMFYSA-N	0	3	341.480	4.122	10	30		EIEEHN
C=CCC[C@H](O)CN(Cc1ccc(F)cc1)Cc1cccc(OC)c1	ZINC000036098544	564096013	/nfs/dbraw/zinc/09/60/13/564096013.db2.gz	SKEYDULTDWUJFJ-FQEVSTJZSA-N	0	3	343.442	4.164	10	30		EIEEHN
C[C@H](C#N)Oc1ccc(CN2CCC(OCC3CCCC3)CC2)cc1	ZINC000093818293	1039756111	/nfs/dbraw/zinc/75/61/11/1039756111.db2.gz	ATFFVDWKUACLDP-QGZVFWFLSA-N	0	3	342.483	4.149	10	30		EIEEHN
CCSc1nc2c(c(-c3ccccc3Cl)c1C#N)CN(C)CC2	ZINC000040570041	213352650	/nfs/dbraw/zinc/35/26/50/213352650.db2.gz	GTJNAHCOJXFADC-UHFFFAOYSA-N	0	3	343.883	4.374	10	30		EIEEHN