smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(CN2CCN(C)CC2)cc(-c2ccccc2F)n1-c1ccc(F)cc1	ZINC000036471942	205018192	/nfs/dbraw/zinc/01/81/92/205018192.db2.gz	UYNMCSUNBARPIQ-UHFFFAOYSA-N	0	1	381.470	4.478	1	10		GICFMN
Cc1c(CN2CCN(C)CC2)cc(-c2ccc(F)cc2)n1-c1ccccc1F	ZINC000036471724	205017299	/nfs/dbraw/zinc/01/72/99/205017299.db2.gz	VGUVTUBIOVHTDJ-UHFFFAOYSA-N	0	1	381.470	4.478	1	10		GICFMN
CC1(C)OC(=O)C(=CNc2cccc(-c3nc4ccccc4s3)c2)C(=O)O1	ZINC000049013915	205123827	/nfs/dbraw/zinc/12/38/27/205123827.db2.gz	UZIRVOZNNDDYEZ-UHFFFAOYSA-N	0	1	380.425	4.095	1	10		GICFMN
[O-]c1ccc(-c2ccnc3cc(Cl)ccc32)cc1C[NH2+][C@H]1CN2CCC1CC2	ZINC000023363270	207276062	/nfs/dbraw/zinc/27/60/62/207276062.db2.gz	SXBXITHAUKZVFU-QFIPXVFZSA-N	0	1	393.918	4.445	1	10		GICFMN
COc1c2c3c(c(Cl)c1OC)CCN(C)C[C@@H]3CN2c1ccc(F)cc1	ZINC000028087636	207334564	/nfs/dbraw/zinc/33/45/64/207334564.db2.gz	ZLEMKTFXPSIGOM-GFCCVEGCSA-N	0	1	376.859	4.220	1	10		GICFMN
Cc1cc([C@@H]2NC(=N)Nc3nc4ccccc4n32)c(C)n1-c1ccccc1Cl	ZINC000013124421	210052442	/nfs/dbraw/zinc/05/24/42/210052442.db2.gz	IWKXWQKHGSBHIQ-LJQANCHMSA-N	0	1	390.878	4.194	3	10		GICFMN
CN(C)c1ccc(C=Cc2nc3ccc(I)cc3[nH]2)cc1	ZINC000096270541	211327610	/nfs/dbraw/zinc/32/76/10/211327610.db2.gz	WZHAXMVWLBKUOX-BJMVGYQFSA-N	0	1	389.240	4.404	1	10		GICFMN
CN1CCN(c2ccc([C@@H]3c4ccc(O)cc4CCN3c3ccccc3)cc2)CC1	ZINC000012353858	221183902	/nfs/dbraw/zinc/18/39/02/221183902.db2.gz	DGNQTZLLWXMKLT-AREMUKBSSA-N	0	1	399.538	4.296	1	10		GICFMN
COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc(Cl)cc(Cl)c3O)C2)cc1	ZINC000095560022	222354997	/nfs/dbraw/zinc/35/49/97/222354997.db2.gz	PPIOYFAIYQPELP-QGZVFWFLSA-N	0	1	379.243	4.405	1	10		GICFMN
CCON=C1NC(=O)C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1	ZINC000013796258	221289083	/nfs/dbraw/zinc/28/90/83/221289083.db2.gz	IXDUROHDYNKQNR-PTNGSMBKSA-N	0	1	376.522	4.499	1	10		GICFMN
C[C@H](CN(C)C)Oc1cc2oc3c(c2cc1Cl)C(=O)c1ccccc1C3=O	ZINC000028713988	221682963	/nfs/dbraw/zinc/68/29/63/221682963.db2.gz	YZDUWZIPARTLNH-LLVKDONJSA-N	0	1	383.831	4.191	1	10		GICFMN
Cc1[nH+]ccn1-c1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(O)cc2)cc1	ZINC000084604882	222318274	/nfs/dbraw/zinc/31/82/74/222318274.db2.gz	YKQINBHJBBSDJG-UHFFFAOYSA-N	0	1	387.439	4.361	1	10		GICFMN
COc1ccc(C2=NN(C(C)=O)[C@H](c3cc(Cl)cc(Cl)c3O)C2)cc1	ZINC000095560021	222354546	/nfs/dbraw/zinc/35/45/46/222354546.db2.gz	PPIOYFAIYQPELP-KRWDZBQOSA-N	0	1	379.243	4.405	1	10		GICFMN