smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2cc(O)c3c(=O)c4c(c(OC)c-3o2)OC(C)(C)C=C4)cc1OC	ZINC000013484734	560217370	/nfs/dbraw/zinc/21/73/70/560217370.db2.gz	DIOIPXZGSXBDJU-UHFFFAOYSA-N	0	2	410.422	4.376	1	0	biogenic,in-vitro	HIAFLN
CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4)coc13)C[C@H](C(C)(C)O)O2	ZINC000003645832	291261559	/nfs/dbraw/zinc/26/15/59/291261559.db2.gz	LKFQSODZCVNSSG-LJQANCHMSA-N	0	2	422.477	4.454	1	0	biogenic,in-vitro	HIAFLN
CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C[C@H](C(C)(C)O)O2	ZINC000005854420	291261592	/nfs/dbraw/zinc/26/15/92/291261592.db2.gz	KQLMUJOKBRYEHR-LJQANCHMSA-N	0	2	422.477	4.454	1	0	biogenic,in-vitro	HIAFLN
O=C(N[C@H](CO)c1ccccc1)c1cc(-c2n[nH]cc2-c2cccc(Cl)c2)c[nH]1	ZINC000014959189	581099731	/nfs/dbraw/zinc/09/97/31/581099731.db2.gz	BZOFGUPPOMCQER-HXUWFJFHSA-N	0	2	406.873	4.189	1	0		HIAFLN
O=C(N[C@H](CO)c1ccc(F)cc1)c1cc(-c2n[nH]cc2-c2cccc(Cl)c2)c[nH]1	ZINC000014959220	581099756	/nfs/dbraw/zinc/09/97/56/581099756.db2.gz	CHRQOFCKHUIEES-HXUWFJFHSA-N	0	2	424.863	4.328	1	0		HIAFLN
Cc1oc(-c2ccccc2)nc1COc1ccc(CCC[C@@H]2OC(=O)NC2=O)cc1	ZINC000003808332	581094471	/nfs/dbraw/zinc/09/44/71/581094471.db2.gz	MTUFZLVOIXMPKC-FQEVSTJZSA-N	0	2	406.438	4.187	1	0		HIAFLN
Cc1oc(-c2ccccc2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cc1	ZINC000001539595	581094409	/nfs/dbraw/zinc/09/44/09/581094409.db2.gz	MTUFZLVOIXMPKC-HXUWFJFHSA-N	0	2	406.438	4.187	1	0		HIAFLN
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(OCCC3(O)CCCCC3)c12	ZINC000085569501	291270662	/nfs/dbraw/zinc/27/06/62/291270662.db2.gz	UQXZPQZQTMIXKX-UHFFFAOYSA-N	0	2	412.438	4.041	1	0	biogenic,in-vitro	HIAFLN
O=C(N[C@@H](CO)c1ccc(F)cc1)c1cc(-c2n[nH]cc2-c2cccc(Cl)c2)c[nH]1	ZINC000014959224	581099835	/nfs/dbraw/zinc/09/98/35/581099835.db2.gz	CHRQOFCKHUIEES-FQEVSTJZSA-N	0	2	424.863	4.328	1	0		HIAFLN
CC(C)=CCc1cc(-c2coc3cc4c(c(O)c3c2=O)C[C@H](C(C)(C)O)O4)ccc1O	ZINC000059728659	291261578	/nfs/dbraw/zinc/26/15/78/291261578.db2.gz	STWKZOLIYPDQRJ-OAQYLSRUSA-N	0	2	422.477	4.454	1	0	biogenic,in-vitro	HIAFLN
O=C(N[C@H](CO)c1cccc(F)c1)c1cc(-c2n[nH]cc2-c2cccc(Cl)c2)c[nH]1	ZINC000014959253	581099723	/nfs/dbraw/zinc/09/97/23/581099723.db2.gz	MHZXYMWATGIBPO-HXUWFJFHSA-N	0	2	424.863	4.328	1	0		HIAFLN
O=C(N[C@@H](CO)c1cccc(F)c1)c1cc(-c2n[nH]cc2-c2cccc(Cl)c2)c[nH]1	ZINC000014959259	581099814	/nfs/dbraw/zinc/09/98/14/581099814.db2.gz	MHZXYMWATGIBPO-FQEVSTJZSA-N	0	2	424.863	4.328	1	0		HIAFLN
O=C(N[C@@H](CO)c1ccccc1F)c1cc(-c2n[nH]cc2-c2cccc(Cl)c2)c[nH]1	ZINC000014959249	581099739	/nfs/dbraw/zinc/09/97/39/581099739.db2.gz	XUVQHPRTXRLLPM-FQEVSTJZSA-N	0	2	424.863	4.328	1	0		HIAFLN
O=C(N[C@H](CO)c1ccccc1F)c1cc(-c2n[nH]cc2-c2cccc(Cl)c2)c[nH]1	ZINC000014959244	581099795	/nfs/dbraw/zinc/09/97/95/581099795.db2.gz	XUVQHPRTXRLLPM-HXUWFJFHSA-N	0	2	424.863	4.328	1	0		HIAFLN