smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCCc1nc2c(n1Cc1ccccc1)C(=O)c1ccccc1C2=O	ZINC000001855964	204020804	/nfs/dbraw/zinc/02/08/04/204020804.db2.gz	YUPPFNMPLOTOGI-UHFFFAOYSA-N	-1	0	374.396	3.114	1	10		FGCFRM
O=C([O-])[C@@H]1Nc2c(cccc2S(=O)(=O)c2ccccc2)[C@H]2C=CC[C@H]21	ZINC000062241723	205290580	/nfs/dbraw/zinc/29/05/80/205290580.db2.gz	UFZHQEXDMZQDGA-DDUZABMNSA-N	-1	0	355.415	3.058	1	10		FGCFRM
Cc1cc(I)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)[O-])N2	ZINC000148559053	209383786	/nfs/dbraw/zinc/38/37/86/209383786.db2.gz	JMRRIKROUNXRLA-ZDMBXUJBSA-N	-1	0	355.175	3.138	1	10		FGCFRM
Cc1cc(I)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)[O-])N2	ZINC000148558625	209382812	/nfs/dbraw/zinc/38/28/12/209382812.db2.gz	JMRRIKROUNXRLA-KKFJDGPESA-N	-1	0	355.175	3.138	1	10		FGCFRM
Cc1nc2c(C(=O)NCCC(C)C)c[n-]n2c(=O)c1Cc1ccccc1F	ZINC000013110845	207451782	/nfs/dbraw/zinc/45/17/82/207451782.db2.gz	ZRXHJPHGYAJOIF-UHFFFAOYSA-N	-1	0	370.428	3.249	1	10		FGCFRM
Cc1cc(I)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)[O-])N2	ZINC000033837906	208100698	/nfs/dbraw/zinc/10/06/98/208100698.db2.gz	JMRRIKROUNXRLA-RWEMILLDSA-N	-1	0	355.175	3.138	1	10		FGCFRM
O=c1c2cc(O)c([O-])c(O)c2nc(-c2ccccc2)n1Cc1ccccc1	ZINC000096285600	209150670	/nfs/dbraw/zinc/15/06/70/209150670.db2.gz	JQFLKAJQKGNCSW-UHFFFAOYSA-N	-1	0	360.369	3.229	1	10		FGCFRM
COc1ccc(N2[N-]C(=O)/C(=C\c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000040973238	208278456	/nfs/dbraw/zinc/27/84/56/208278456.db2.gz	HVNVHHLLVFFHNN-UKTHLTGXSA-N	-1	0	363.200	3.463	1	10		FGCFRM
CO[C@]12C=C(c3ccc(O)c4ncccc34)[C@@H]1C(=O)c1ccccc1C2=O	ZINC000096934676	209162896	/nfs/dbraw/zinc/16/28/96/209162896.db2.gz	XQMYAZMXKADSPO-XMSQKQJNSA-N	-1	0	357.365	3.418	1	10		FGCFRM
O=C([O-])CCC1C(c2ccccc2)=NC(=S)N[C@@H]1c1ccccc1O	ZINC000064252028	212036593	/nfs/dbraw/zinc/03/65/93/212036593.db2.gz	BROATALYKKCFLA-GOSISDBHSA-N	-1	0	354.431	3.187	1	10		FGCFRM
C[C@H](OC(=O)CCC(=O)[O-])c1cc2c(s1)C(=O)c1sccc1C2=O	ZINC000028893933	211501450	/nfs/dbraw/zinc/50/14/50/211501450.db2.gz	XEHIFSCUIFGCRS-ZETCQYMHSA-N	-1	0	364.400	3.054	1	10		FGCFRM
COc1c(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc2ccccc21	ZINC000013782017	211060572	/nfs/dbraw/zinc/06/05/72/211060572.db2.gz	ATZPMUMDANJOTG-JYRVWZFOSA-N	-1	0	359.428	3.134	1	10		FGCFRM
CN1CCCc2cc(Cn3cc(C(=O)[O-])c(=O)c4c(F)cccc43)ccc21	ZINC000071341507	536396359	/nfs/dbraw/zinc/39/63/59/536396359.db2.gz	LYLCSJKMZCHIMB-UHFFFAOYSA-N	-1	0	366.392	3.270	1	10		FGCFRM
Cc1cc(I)c2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)[O-])N2	ZINC000033837907	211612047	/nfs/dbraw/zinc/61/20/47/211612047.db2.gz	JMRRIKROUNXRLA-IGJMFERPSA-N	-1	0	355.175	3.138	1	10		FGCFRM
CC(C)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1	ZINC000064447501	212037089	/nfs/dbraw/zinc/03/70/89/212037089.db2.gz	LYMSWBFVESOLER-UHFFFAOYSA-N	-1	0	356.330	3.138	1	10		FGCFRM
Cc1cc(C)c([C@@H](O)c2nc(C(=O)[O-])cc3cc(O)c(O)cc32)c(C)c1	ZINC000013490156	211035407	/nfs/dbraw/zinc/03/54/07/211035407.db2.gz	DFXPACOPQZCCMY-LJQANCHMSA-N	-1	0	353.374	3.351	1	10		FGCFRM
CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1cc(Cl)ccc1O	ZINC000045285758	220968325	/nfs/dbraw/zinc/96/83/25/220968325.db2.gz	MGHBKGKQOPBRSS-CMPLNLGQSA-N	-1	0	359.831	3.481	1	10		FGCFRM
O=C([O-])[C@@H]1Nc2c(cccc2S(=O)(=O)c2ccccc2)[C@H]2C=CC[C@@H]21	ZINC000062241717	221138893	/nfs/dbraw/zinc/13/88/93/221138893.db2.gz	UFZHQEXDMZQDGA-QIIPPGSGSA-N	-1	0	355.415	3.058	1	10		FGCFRM
Cc1cc(I)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)[O-])N2	ZINC000033837904	220752189	/nfs/dbraw/zinc/75/21/89/220752189.db2.gz	JMRRIKROUNXRLA-RVBZMBCESA-N	-1	0	355.175	3.138	1	10		FGCFRM
Cc1cc(C)c([C@H](O)c2nc(C(=O)[O-])cc3cc(O)c(O)cc32)c(C)c1	ZINC000013490157	220070203	/nfs/dbraw/zinc/07/02/03/220070203.db2.gz	DFXPACOPQZCCMY-IBGZPJMESA-N	-1	0	353.374	3.351	1	10		FGCFRM
O=C(/C=C/c1cccnc1)N1CCc2c(Cl)c(O)c([O-])c(Cl)c2C1	ZINC000058580950	221121701	/nfs/dbraw/zinc/12/17/01/221121701.db2.gz	JEQUFOMACVFUTB-ONEGZZNKSA-N	-1	0	365.216	3.398	1	10		FGCFRM
CO[C@@]12C=C(c3ccc(O)c4ncccc34)[C@@H]1C(=O)c1ccccc1C2=O	ZINC000096934675	222142893	/nfs/dbraw/zinc/14/28/93/222142893.db2.gz	XQMYAZMXKADSPO-GCJKJVERSA-N	-1	0	357.365	3.418	1	10		FGCFRM
C[N@@H+]1CCCC[C@H]1c1c([O-])cc2oc(C3=CC[C@@H](O)C=C3)cc(=O)c2c1[O-]	ZINC000069482286	291068993	/nfs/dbraw/zinc/06/89/93/291068993.db2.gz	DRAZRISCPQMUES-KBPBESRZSA-N	-1	0	369.417	3.065	1	10	biogenic,in-vitro	FGCFRM
CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1cc(Cl)ccc1O	ZINC000045285760	205119684	/nfs/dbraw/zinc/11/96/84/205119684.db2.gz	MGHBKGKQOPBRSS-JQWIXIFHSA-N	-1	0	359.831	3.481	1	10		FGCFRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CCc1ccc2ccccc2n1	ZINC000038179509	136118565	/nfs/dbraw/zinc/11/85/65/136118565.db2.gz	HMVMIEFERIDYRM-GXDIDPINSA-N	-1	0	357.369	3.423	1	10		FGCFRM
O=C([O-])[C@H]1Nc2c(cccc2S(=O)(=O)c2ccccc2)[C@H]2C=CC[C@@H]21	ZINC000062241712	205291141	/nfs/dbraw/zinc/29/11/41/205291141.db2.gz	UFZHQEXDMZQDGA-XUWXXGDYSA-N	-1	0	355.415	3.058	1	10		FGCFRM
O=C([O-])[C@@H]1Nc2c(cccc2S(=O)(=O)c2ccccc2)[C@@H]2C=CC[C@@H]21	ZINC000169294359	206249692	/nfs/dbraw/zinc/24/96/92/206249692.db2.gz	UFZHQEXDMZQDGA-DHSIGJKJSA-N	-1	0	355.415	3.058	1	10		FGCFRM
O=c1oc2cc(/C=C/c3ccc(O)cc3)oc(=O)c2c2cc(O)c([O-])cc12	ZINC000014589300	560222609	/nfs/dbraw/zinc/22/26/09/560222609.db2.gz	PHNDPMPVQSECSJ-ZZXKWVIFSA-N	-1	0	364.309	3.187	1	10	biogenic,in-vitro	FGCFRM
Cc1c([O-])c2c(c(C(=O)CC(C)C)c1O)C(=O)c1c(O)cccc1C2=O	ZINC000095575365	209082040	/nfs/dbraw/zinc/08/20/40/209082040.db2.gz	JSBZNSHTZGINIT-UHFFFAOYSA-N	-1	0	354.358	3.116	1	10		FGCFRM
CC(C)=CCc1c(O)c(O)ccc1-c1oc2cc([O-])c(O)cc2c(=O)c1O	ZINC000014648331	560101112	/nfs/dbraw/zinc/10/11/12/560101112.db2.gz	NACBYUYHTLUWAI-UHFFFAOYSA-N	-1	0	370.357	3.497	1	10	endogenous,in-man	FGCFRM
O=C([O-])CN1C(=O)/C(=C/c2ccc3ccccc3c2[N+](=O)[O-])SC1=S	ZINC000013782019	207486124	/nfs/dbraw/zinc/48/61/24/207486124.db2.gz	SZDDYWUGCUGMAP-GHXNOFRVSA-N	-1	0	374.399	3.034	1	10		FGCFRM
CC[C@H]1Cc2cc([O-])c3c(c2C(=O)C1)C(=O)c1cccc(OC)c1C3=O	ZINC000013379077	560215782	/nfs/dbraw/zinc/21/57/82/560215782.db2.gz	JCMDNBJXOUWFMR-JTQLQIEISA-N	-1	0	350.370	3.331	1	10	in-vitro	FGCFRM
CCc1ccc(C=C2SC(N[C@H](C(=O)[O-])c3ccc(F)cc3)=NC2=O)o1	ZINC000034947225	211629664	/nfs/dbraw/zinc/62/96/64/211629664.db2.gz	RNEACARJKXYVND-MZLJFPOFSA-N	-1	0	374.393	3.367	1	10	in-vivo	FGCFRM
O=C([O-])CCCc1nc2c(n1-c1ccccc1)C(=O)c1ccccc1C2=O	ZINC000001855968	210373975	/nfs/dbraw/zinc/37/39/75/210373975.db2.gz	HYNSOUHCJZAKOT-UHFFFAOYSA-N	-1	0	360.369	3.055	1	10		FGCFRM
CO[C@]12C=C(c3ccc(O)c4ncccc34)[C@H]1C(=O)c1ccccc1C2=O	ZINC000096934678	222142305	/nfs/dbraw/zinc/14/23/05/222142305.db2.gz	XQMYAZMXKADSPO-PGRDOPGGSA-N	-1	0	357.365	3.418	1	10		FGCFRM
CC(C)=CCc1c([O-])cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3O)oc12	ZINC000071281749	221338382	/nfs/dbraw/zinc/33/83/82/221338382.db2.gz	LXDCTBWIZNOCJO-UHFFFAOYSA-N	-1	0	370.357	3.497	1	10		FGCFRM
COc1cc2ccccc2cc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000013782020	211059557	/nfs/dbraw/zinc/05/95/57/211059557.db2.gz	MNBVQOJQBVDYIF-ZSOIEALJSA-N	-1	0	359.428	3.134	1	10		FGCFRM
CC(C)C(=O)Oc1cc([O-])cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12	ZINC000064454033	212039082	/nfs/dbraw/zinc/03/90/82/212039082.db2.gz	PQFJRDPDYDMRGJ-UHFFFAOYSA-N	-1	0	356.330	3.138	1	10		FGCFRM
O=C([O-])CCC1C(c2ccccc2)=NC(=S)N[C@H]1c1ccccc1O	ZINC000058487818	212012063	/nfs/dbraw/zinc/01/20/63/212012063.db2.gz	BROATALYKKCFLA-SFHVURJKSA-N	-1	0	354.431	3.187	1	10		FGCFRM
COc1c(=O)c2c(O)c(C)c([O-])c(C)c2oc1Oc1ccc(O)c(O)c1	ZINC000095486286	291070146	/nfs/dbraw/zinc/07/01/46/291070146.db2.gz	QFSVMALFWLWANL-UHFFFAOYSA-N	-1	0	360.318	3.033	1	10	biogenic,in-vitro	FGCFRM
O=C([O-])c1ccc2c(c1)nc(-c1ccc(N3CCCCC3)cc1)n2CCO	ZINC000103226379	222326960	/nfs/dbraw/zinc/32/69/60/222326960.db2.gz	NZDSNTTYOJRQFZ-UHFFFAOYSA-N	-1	0	365.433	3.384	1	10		FGCFRM
Cc1ccc(NC(=S)NNc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1C	ZINC000012508844	220001957	/nfs/dbraw/zinc/00/19/57/220001957.db2.gz	UCFUCTDJCXWQDQ-UHFFFAOYSA-N	-1	0	360.395	3.223	3	10		FGCFRM