smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(OC)cc([C@H](c2sc3ncnn3c2[O-])N2CCCCC2)c1	ZINC000218604702	206371279	/nfs/dbraw/zinc/37/12/79/206371279.db2.gz	FBELFFMIXVVPER-OAHLLOKOSA-N	-1	3	374.466	3.089	50	70		FGIAHM
COc1ccc2c(c1)[n-]cc(C(=O)Nc1cccc(NC(C)=O)c1)c2=O	ZINC000218200626	206368182	/nfs/dbraw/zinc/36/81/82/206368182.db2.gz	DXBZWQWPAUPYPW-UHFFFAOYSA-N	-1	3	351.362	3.160	50	70		FGIAHM
COc1ccc2c(c1)ncc(C(=O)Nc1cccc(NC(C)=O)c1)c2[O-]	ZINC000218200626	206368188	/nfs/dbraw/zinc/36/81/88/206368188.db2.gz	DXBZWQWPAUPYPW-UHFFFAOYSA-N	-1	3	351.362	3.160	50	70		FGIAHM
O=C(c1c[n-]c2ccc(F)cc2c1=O)N1CCN(Cc2ccccc2)CC1	ZINC000218386959	206370866	/nfs/dbraw/zinc/37/08/66/206370866.db2.gz	PZUZYZWQBCTCEX-UHFFFAOYSA-N	-1	3	365.408	3.038	50	70		FGIAHM
O=C(c1c[n-]c2c(F)cccc2c1=O)N1CCN(Cc2ccccc2)CC1	ZINC000218181560	497000954	/nfs/dbraw/zinc/00/09/54/497000954.db2.gz	FTPJUQGPPVJMOA-UHFFFAOYSA-N	-1	3	365.408	3.038	50	70		FGIAHM
COc1ccc2[n-]cc(C(=O)N3CCO[C@@H](c4ccccc4)C3)c(=O)c2c1	ZINC000218425750	497002126	/nfs/dbraw/zinc/00/21/26/497002126.db2.gz	UOSGCNCQUVYNRT-LJQANCHMSA-N	-1	3	364.401	3.163	50	70		FGIAHM
COc1cc(OC)cc([C@@H](c2sc3ncnn3c2[O-])N2CCCCC2)c1	ZINC000218604623	497003802	/nfs/dbraw/zinc/00/38/02/497003802.db2.gz	FBELFFMIXVVPER-HNNXBMFYSA-N	-1	3	374.466	3.089	50	70		FGIAHM
COc1ccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)c(OC)c1OC	ZINC000217896609	497000411	/nfs/dbraw/zinc/00/04/11/497000411.db2.gz	DRCRMHRJXKNFAD-CYBMUJFWSA-N	-1	3	372.373	3.062	50	70		FGIAHM
COc1cc([C@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)cc(OC)c1OC	ZINC000217656364	496999093	/nfs/dbraw/zinc/99/90/93/496999093.db2.gz	ADDCVBWHKTYQIE-CYBMUJFWSA-N	-1	3	372.373	3.062	50	70		FGIAHM
Cc1nc(C2CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)cc(=O)[n-]1	ZINC000218428980	527005917	/nfs/dbraw/zinc/00/59/17/527005917.db2.gz	DLVVHIMJACLGJI-UHFFFAOYSA-N	-1	3	361.392	3.108	50	70		FGIAHM
COc1cc(OC)c([C@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)cc1OC	ZINC000217818685	571350923	/nfs/dbraw/zinc/35/09/23/571350923.db2.gz	WGXBPXGTDPTLTI-CYBMUJFWSA-N	-1	3	372.373	3.062	50	70		FGIAHM
O=C(Nc1ccncc1)c1cc(=O)c(OCc2ccccc2Cl)c[n-]1	ZINC000218369680	527457259	/nfs/dbraw/zinc/45/72/59/527457259.db2.gz	HUTNWJSIFYOIEO-UHFFFAOYSA-N	-1	3	355.781	3.255	50	70		FGIAHM
COc1ccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)c(OC)c1OC	ZINC000217896538	496999954	/nfs/dbraw/zinc/99/99/54/496999954.db2.gz	DRCRMHRJXKNFAD-ZDUSSCGKSA-N	-1	3	372.373	3.062	50	70		FGIAHM
O=C(N[C@H]1C[C@H](c2cc(=O)[n-]c(C3CC3)n2)C1)c1c(F)cccc1Cl	ZINC000218363682	497001963	/nfs/dbraw/zinc/00/19/63/497001963.db2.gz	BASOWPGWVXLHTH-PHIMTYICSA-N	-1	3	361.804	3.116	50	70		FGIAHM
CC(=O)c1ccc2c(c1[O-])[C@@H](c1cc3c(c(Cl)c1)OCO3)CC(=O)O2	ZINC000217839308	571351038	/nfs/dbraw/zinc/35/10/38/571351038.db2.gz	SQULNFOSVLCYAU-LLVKDONJSA-N	-1	3	360.749	3.418	50	70		FGIAHM
CC(C)(C)c1cc(C(=O)NCC2(c3ccccc3F)CCCC2)[n-]c(=O)n1	ZINC000218571708	518995190	/nfs/dbraw/zinc/99/51/90/518995190.db2.gz	XABKQELSCFGXQG-UHFFFAOYSA-N	-1	3	371.456	3.448	50	70		FGIAHM
CC(C)Cc1cc(C(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)[n-]c(=O)n1	ZINC000218489288	519428775	/nfs/dbraw/zinc/42/87/75/519428775.db2.gz	KVNJNXGRDFQXGN-MRXNPFEDSA-N	-1	3	358.442	3.057	50	70		FGIAHM
COc1ccc2[n-]cc(C(=O)N3CCO[C@H](c4ccccc4)C3)c(=O)c2c1	ZINC000218425662	497002664	/nfs/dbraw/zinc/00/26/64/497002664.db2.gz	UOSGCNCQUVYNRT-IBGZPJMESA-N	-1	3	364.401	3.163	50	70		FGIAHM
C[C@H](NC(=O)c1c[n-]c2ccc(Cl)cc2c1=O)c1nnc2ccccn21	ZINC000218387740	497001915	/nfs/dbraw/zinc/00/19/15/497001915.db2.gz	CDINREFHYUOFPR-JTQLQIEISA-N	-1	3	367.796	3.128	50	70		FGIAHM
C[C@H](NC(=O)c1cnc2ccc(Cl)cc2c1[O-])c1nnc2ccccn21	ZINC000218387740	497001921	/nfs/dbraw/zinc/00/19/21/497001921.db2.gz	CDINREFHYUOFPR-JTQLQIEISA-N	-1	3	367.796	3.128	50	70		FGIAHM
COc1cccc2c(=O)c(C(=O)N3CCO[C@@H](c4ccccc4)C3)c[n-]c12	ZINC000218142295	497000727	/nfs/dbraw/zinc/00/07/27/497000727.db2.gz	DXTSPJLZFVDYCX-GOSISDBHSA-N	-1	3	364.401	3.163	50	70		FGIAHM
O=C(c1c[n-]c2ccc(F)cc2c1=O)N1CCO[C@@H](c2ccccc2)C1	ZINC000218388252	206371111	/nfs/dbraw/zinc/37/11/11/206371111.db2.gz	HWSDRRPINRJKBN-GOSISDBHSA-N	-1	3	352.365	3.293	50	70		FGIAHM
COc1cccc2c(=O)c(C(=O)N3CCO[C@H](c4ccccc4)C3)c[n-]c12	ZINC000218142226	206367946	/nfs/dbraw/zinc/36/79/46/206367946.db2.gz	DXTSPJLZFVDYCX-SFHVURJKSA-N	-1	3	364.401	3.163	50	70		FGIAHM
Cc1cccc([C@@H]2CCCN(C(=O)c3cc(CC(C)C)nc(=O)[n-]3)C2)c1	ZINC000217388663	524842110	/nfs/dbraw/zinc/84/21/10/524842110.db2.gz	NTZRSQYXUOLIDH-QGZVFWFLSA-N	-1	3	353.466	3.297	50	70		FGIAHM
C[C@@](O)(C[N-]S(=O)(=O)c1ccccc1F)c1cc2ccccc2s1	ZINC000217511267	525776258	/nfs/dbraw/zinc/77/62/58/525776258.db2.gz	XCDVOBFDAXUQAD-QGZVFWFLSA-N	-1	3	365.451	3.226	50	70		FGIAHM
COc1cc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)cc(OC)c1OC	ZINC000217656277	206364651	/nfs/dbraw/zinc/36/46/51/206364651.db2.gz	ADDCVBWHKTYQIE-ZDUSSCGKSA-N	-1	3	372.373	3.062	50	70		FGIAHM
CC[C@H](NC(=O)c1cc(C(C)(C)C)nc(=O)[n-]1)c1nc2cc(C)ccc2[nH]1	ZINC000217582659	206364250	/nfs/dbraw/zinc/36/42/50/206364250.db2.gz	KTXPHULWXIGSHB-LBPRGKRZSA-N	-1	3	367.453	3.133	50	70		FGIAHM
CC[C@H](NC(=O)c1cc(C(C)(C)C)nc(=O)[n-]1)c1nc2ccc(C)cc2[nH]1	ZINC000217582659	206364255	/nfs/dbraw/zinc/36/42/55/206364255.db2.gz	KTXPHULWXIGSHB-LBPRGKRZSA-N	-1	3	367.453	3.133	50	70		FGIAHM
O=C(Nc1ccccn1)c1cc(=O)c(OCc2ccc(Cl)cc2)c[n-]1	ZINC000218334319	527439835	/nfs/dbraw/zinc/43/98/35/527439835.db2.gz	URGHKQUETVLYMO-UHFFFAOYSA-N	-1	3	355.781	3.255	50	70		FGIAHM
Cc1cccc([C@H]2CCCN(C(=O)c3cc(CC(C)C)nc(=O)[n-]3)C2)c1	ZINC000217388739	524887544	/nfs/dbraw/zinc/88/75/44/524887544.db2.gz	NTZRSQYXUOLIDH-KRWDZBQOSA-N	-1	3	353.466	3.297	50	70		FGIAHM
C[C@](O)(C[N-]S(=O)(=O)c1ccccc1F)c1cc2ccccc2s1	ZINC000217511337	525179948	/nfs/dbraw/zinc/17/99/48/525179948.db2.gz	XCDVOBFDAXUQAD-KRWDZBQOSA-N	-1	3	365.451	3.226	50	70		FGIAHM
C[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1nnc2ccccn21	ZINC000218209310	497001471	/nfs/dbraw/zinc/00/14/71/497001471.db2.gz	PTWFFQQSBVOSGF-JTQLQIEISA-N	-1	3	367.796	3.128	50	70		FGIAHM
CC(C)Cc1cc(C(=O)N2CCC[C@H]2c2cc(C(C)C)on2)[n-]c(=O)n1	ZINC000218489372	519429708	/nfs/dbraw/zinc/42/97/08/519429708.db2.gz	KVNJNXGRDFQXGN-INIZCTEOSA-N	-1	3	358.442	3.057	50	70		FGIAHM
C[C@H](NC(=O)c1c[n-]c2cc(Cl)ccc2c1=O)c1nnc2ccccn21	ZINC000218137776	497001024	/nfs/dbraw/zinc/00/10/24/497001024.db2.gz	FZFXJDWDCKQZPE-JTQLQIEISA-N	-1	3	367.796	3.128	50	70		FGIAHM
Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1	ZINC000218517256	497003593	/nfs/dbraw/zinc/00/35/93/497003593.db2.gz	KTRQPTISKGHPOY-UHFFFAOYSA-N	-1	3	370.722	3.130	50	70		FGIAHM
Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1	ZINC000218517256	497003596	/nfs/dbraw/zinc/00/35/96/497003596.db2.gz	KTRQPTISKGHPOY-UHFFFAOYSA-N	-1	3	370.722	3.130	50	70		FGIAHM
CC[C@@H](NC(=O)c1cc(C(C)(C)C)nc(=O)[n-]1)c1nc2cc(C)ccc2[nH]1	ZINC000217582590	496998556	/nfs/dbraw/zinc/99/85/56/496998556.db2.gz	KTXPHULWXIGSHB-GFCCVEGCSA-N	-1	3	367.453	3.133	50	70		FGIAHM
CC[C@@H](NC(=O)c1cc(C(C)(C)C)nc(=O)[n-]1)c1nc2ccc(C)cc2[nH]1	ZINC000217582590	496998562	/nfs/dbraw/zinc/99/85/62/496998562.db2.gz	KTXPHULWXIGSHB-GFCCVEGCSA-N	-1	3	367.453	3.133	50	70		FGIAHM
COc1cc(OC)c([C@@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)cc1OC	ZINC000217818611	571350927	/nfs/dbraw/zinc/35/09/27/571350927.db2.gz	WGXBPXGTDPTLTI-ZDUSSCGKSA-N	-1	3	372.373	3.062	50	70		FGIAHM
CC(=O)c1ccc2c(c1[O-])[C@H](c1cc3c(c(Cl)c1)OCO3)CC(=O)O2	ZINC000217839240	571351041	/nfs/dbraw/zinc/35/10/41/571351041.db2.gz	SQULNFOSVLCYAU-NSHDSACASA-N	-1	3	360.749	3.418	50	70		FGIAHM
O=C(c1c[n-]c2ccc(F)cc2c1=O)N1CCO[C@H](c2ccccc2)C1	ZINC000218388175	497002299	/nfs/dbraw/zinc/00/22/99/497002299.db2.gz	HWSDRRPINRJKBN-SFHVURJKSA-N	-1	3	352.365	3.293	50	70		FGIAHM