smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1c(Cl)cc(Cl)cc1C=NNc1cccc(Cl)c1	ZINC000006675062	181369539	/nfs/dbraw/zinc/36/95/39/181369539.db2.gz	ZIAYSDWDXTWAMH-REZTVBANSA-N	-1	0	315.587	4.798	10	30		DJEERM
C/C=C(\NC(=O)CCCCCCCCCCCCC)C(=O)[O-]	ZINC000043322220	183354998	/nfs/dbraw/zinc/35/49/98/183354998.db2.gz	RFLSSWPYALHVIU-XRVIQIRUSA-N	-1	0	311.466	4.792	10	30		DJEERM
[O-]c1c(Cl)cc(Cl)cc1/C=N\c1ccc2ccccc2n1	ZINC000013467463	181852949	/nfs/dbraw/zinc/85/29/49/181852949.db2.gz	VKUUUXCLDREJCR-OCKHKDLRSA-N	-1	0	317.175	4.998	10	30		DJEERM
C=C[C@]1(C)CCC2=C(C1)C(=O)C[C@H]1[C@@]2(C)CCC[C@]1(C)C(=O)[O-]	ZINC000230087561	571853299	/nfs/dbraw/zinc/85/32/99/571853299.db2.gz	MKABKMLRRKPPCP-RNQOJCNYSA-N	-1	0	316.441	4.529	10	30	endogenous,in-man	DJEERM
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)[O-])[C@H]1CC[C@@H](C)CCO	ZINC000038927917	183012782	/nfs/dbraw/zinc/01/27/82/183012782.db2.gz	NSRKLZRKJJQJLD-YESPVIGUSA-N	-1	0	322.489	4.649	10	30	biogenic	DJEERM
O=C1CCC(=Nc2cc(Cl)c([O-])c(Cl)c2)c2ccccc21	ZINC000000895563	560178762	/nfs/dbraw/zinc/17/87/62/560178762.db2.gz	OQAQIZUKXROORY-XMHGGMMESA-N	-1	0	320.175	4.796	10	30	in-vitro	DJEERM
CCCCCCCc1cc(Br)sc1C(=O)[O-]	ZINC000675058194	563910282	/nfs/dbraw/zinc/91/02/82/563910282.db2.gz	WGHQRLKWRMCOIT-UHFFFAOYSA-N	-1	0	305.237	4.722	10	30		DJEERM
O=C1c2ccsc2C(=O)C([O-])=C1CCCC1CCCCC1	ZINC000584596774	337374140	/nfs/dbraw/zinc/37/41/40/337374140.db2.gz	XRFOJWKKWGRGNQ-UHFFFAOYSA-N	-1	0	304.411	4.690	10	30		DJEERM
CC(/C=C/C1=C(C)C(=O)CCC1(C)C)=C/C=C\C(C)=C/C(=O)[O-]	ZINC000090628523	185307525	/nfs/dbraw/zinc/30/75/25/185307525.db2.gz	GGCUJPCCTQNTJF-VBLBTLRZSA-N	-1	0	314.425	4.782	10	30		DJEERM
CN(C)c1ccc(/C=C\C(=O)c2ccc3ccccc3c2[O-])cc1	ZINC000034377711	182732122	/nfs/dbraw/zinc/73/21/22/182732122.db2.gz	VXPHVHMTDLBAKR-ZROIWOOFSA-N	-1	0	317.388	4.508	10	30		DJEERM
[O-]c1c(Cl)cc(Cl)cc1/C=N/c1c(F)cccc1F	ZINC000584608470	337371933	/nfs/dbraw/zinc/37/19/33/337371933.db2.gz	WDUMOTWBUNEBEG-NGYBGAFCSA-N	-1	0	302.107	4.728	10	30		DJEERM
C=C[C@]1(C)CCC2=C(C1)C(=O)C[C@@H]1[C@](C)(C(=O)[O-])CCC[C@]21C	ZINC000085910969	574416837	/nfs/dbraw/zinc/41/68/37/574416837.db2.gz	MKABKMLRRKPPCP-MTFMMBMASA-N	-1	0	316.441	4.529	10	30	endogenous,in-man	DJEERM
CC(C)c1cc(C(C)C)c(C(=O)/C=C/C(=O)[O-])c(C(C)C)c1	ZINC000072177350	191070454	/nfs/dbraw/zinc/07/04/54/191070454.db2.gz	HSCGGZUFNJGJSJ-BQYQJAHWSA-N	-1	0	302.414	4.880	10	30		DJEERM
O=C([O-])c1cc(NN=Cc2cccc3ccccc23)ccc1Cl	ZINC000004922730	181173895	/nfs/dbraw/zinc/17/38/95/181173895.db2.gz	MSQILXOMXFJOSP-RGVLZGJSSA-N	-1	0	324.767	4.637	10	30		DJEERM
C=C[C@]1(C)CCC2=C(C1)C(=O)C[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]21C	ZINC000100781087	571834607	/nfs/dbraw/zinc/83/46/07/571834607.db2.gz	MKABKMLRRKPPCP-OJAHFUOMSA-N	-1	0	316.441	4.529	10	30	endogenous,in-man	DJEERM
CC(C)=CCc1c(O)ccc(C(=O)/C=C/c2ccccc2)c1[O-]	ZINC000015114975	560228318	/nfs/dbraw/zinc/22/83/18/560228318.db2.gz	CHWWSUSAPRACBZ-FMIVXFBMSA-N	-1	0	308.377	4.503	10	30	biogenic,in-vitro	DJEERM
C=C(CC[C@@]1(O)[C@@H](C)CC[C@H]2C(C)(C)CCC[C@@]21C)CC(=O)[O-]	ZINC000087492970	185226761	/nfs/dbraw/zinc/22/67/61/185226761.db2.gz	IFVSIWLDTZSJQA-CPLUKWAASA-N	-1	0	322.489	4.791	10	30		DJEERM
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)[O-])[C@H]1CC/C(C)=C/CO	ZINC000033953779	563857562	/nfs/dbraw/zinc/85/75/62/563857562.db2.gz	DOYKMKZYLAAOGH-DOEMEAPXSA-N	-1	0	320.473	4.569	10	30	biogenic,in-vitro	DJEERM
C=C[C@](C)(O)CC[C@H]1C(=C)CC[C@H]2[C@@](C)(C(=O)[O-])CCC[C@]21C	ZINC000082123255	192358868	/nfs/dbraw/zinc/35/88/68/192358868.db2.gz	LMODNMXJBXUOQF-DLRXZHIHSA-N	-1	0	320.473	4.567	10	30		DJEERM
[O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc2ccccc2n1	ZINC000095628841	185382966	/nfs/dbraw/zinc/38/29/66/185382966.db2.gz	VKUUUXCLDREJCR-DJKKODMXSA-N	-1	0	317.175	4.998	10	30		DJEERM
CC(C)Cc1csc(NC(=O)C=Cc2ccco2)c1C(=O)[O-]	ZINC000005633153	181266114	/nfs/dbraw/zinc/26/61/14/181266114.db2.gz	MNGXZCCWMLFRQT-AATRIKPKSA-N	-1	0	319.382	4.539	10	30		DJEERM
CCCCCCCCCCC1=C([O-])c2ncccc2C(=O)C1=O	ZINC000584637641	337379528	/nfs/dbraw/zinc/37/95/28/337379528.db2.gz	SLDLDQJFLMHPRP-UHFFFAOYSA-N	-1	0	315.413	4.804	10	30		DJEERM
C#CCCC[C@H](O)CCCCCCCCCC(C)(C)C(=O)[O-]	ZINC000013589988	181866583	/nfs/dbraw/zinc/86/65/83/181866583.db2.gz	NKCUSUZBSTZOHV-KRWDZBQOSA-N	-1	0	310.478	4.773	10	30		DJEERM
CC(C)=CCCc1c(C)ccc2c1C(=O)C([O-])=C(C(C)C)C2=O	ZINC000005723422	563555873	/nfs/dbraw/zinc/55/58/73/563555873.db2.gz	NUNZPHDNWXNHOU-UHFFFAOYSA-N	-1	0	312.409	4.741	10	30	biogenic	DJEERM
C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)[O-]	ZINC000033831113	182723283	/nfs/dbraw/zinc/72/32/83/182723283.db2.gz	LNWOKEZJIRLIDO-ZJGHDVHGSA-N	-1	0	320.473	4.567	10	30	biogenic	DJEERM