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(CN1CCCS1(=O)=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783025037	583476373	/nfs/dbraw/zinc/47/63/73/583476373.db2.gz	MHNRSCJBZYSNRT-UHFFFAOYSA-N	-1	1	329.330	-0.141	20	10		EBCDMM
O=C(CN1CCS(=O)(=O)CC1)NCC(=O)c1ccc([O-])c(O)c1	ZINC001180598834	833095771	/nfs/dbraw/zinc/09/57/71/833095771.db2.gz	QZASPQOAKNEQKY-UHFFFAOYSA-N	-1	1	342.373	-0.873	20	10		EBCDMM
Cn1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c(=O)n(C)c1=O	ZINC001195544617	835242225	/nfs/dbraw/zinc/24/22/25/835242225.db2.gz	CLXHFALTYZPFAG-UHFFFAOYSA-N	-1	1	333.300	-0.892	20	10		EBCDMM
COc1c([O-])c(CN2CCN(CC(N)=O)C(=O)C2)ccc1[N+](=O)[O-]	ZINC000839169316	583060847	/nfs/dbraw/zinc/06/08/47/583060847.db2.gz	HAXWNEVEAHOTJV-UHFFFAOYSA-N	-1	1	338.320	-0.562	20	10		EBCDMM
CN(C)S(=O)(=O)N1CC(NC(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000863943980	584380689	/nfs/dbraw/zinc/38/06/89/584380689.db2.gz	SOTNXKIJTYEFAU-UHFFFAOYSA-N	-1	1	333.341	-0.543	20	10		EBCDMM
COCCN1C[C@@H](C(=O)NCC(=O)c2ccc([O-])c(O)c2)CC1=O	ZINC001180894385	833120153	/nfs/dbraw/zinc/12/01/53/833120153.db2.gz	BPIXLNBPDGWUPF-NSHDSACASA-N	-1	1	336.344	-0.108	20	10		EBCDMM
NC(=O)N[C@H](CO)C(=O)NCc1cccc(Br)c1[O-]	ZINC000765730403	583286831	/nfs/dbraw/zinc/28/68/31/583286831.db2.gz	UVAAVBDZBKZVFQ-MRVPVSSYSA-N	-1	1	332.154	-0.200	20	10		EBCDMM
Cc1cn(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)c(=O)[nH]c1=O	ZINC001142320525	830127578	/nfs/dbraw/zinc/12/75/78/830127578.db2.gz	AXEXRUBVVKFWLD-UHFFFAOYSA-N	-1	1	333.300	-0.332	20	10		EBCDMM
CN(C)C(=O)Cn1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)nn1	ZINC000783158421	583477194	/nfs/dbraw/zinc/47/71/94/583477194.db2.gz	UCZMRDYHIHJNEJ-UHFFFAOYSA-N	-1	1	348.315	-0.183	20	10		EBCDMM
C[C@H](NC(=O)Cn1cnnn1)C(=O)NCc1cccc(Cl)c1[O-]	ZINC001305084375	821766336	/nfs/dbraw/zinc/76/63/36/821766336.db2.gz	IMOFBDLUJKWOKL-QMMMGPOBSA-N	-1	1	338.755	-0.147	20	10		EBCDMM
COCCN1C[C@H](C(=O)NCC(=O)c2ccc([O-])c(O)c2)CC1=O	ZINC001180894383	833120174	/nfs/dbraw/zinc/12/01/74/833120174.db2.gz	BPIXLNBPDGWUPF-LLVKDONJSA-N	-1	1	336.344	-0.108	20	10		EBCDMM
O=C(NCC1(O)CCS(=O)(=O)CC1)c1c(F)ccc(O)c1[O-]	ZINC001183451314	833290860	/nfs/dbraw/zinc/29/08/60/833290860.db2.gz	TXFWFEOXWQQKCJ-UHFFFAOYSA-N	-1	1	333.337	-0.094	20	10		EBCDMM
COc1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)c(O)c1	ZINC001189635800	834175271	/nfs/dbraw/zinc/17/52/71/834175271.db2.gz	AQMGLQHCZICVCW-UHFFFAOYSA-N	-1	1	341.345	-0.321	20	10		EBCDMM
COC(=O)[C@H]1CCN(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)C1	ZINC001186117071	833389645	/nfs/dbraw/zinc/38/96/45/833389645.db2.gz	UQDBFYMSHDEYFZ-NSHDSACASA-N	-1	1	336.344	-0.108	20	10		EBCDMM
O=C(CN1C(=O)CSC1=S)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21	ZINC001144848400	830168344	/nfs/dbraw/zinc/16/83/44/830168344.db2.gz	OHACPZWENFFQPS-UHFFFAOYSA-N	-1	1	340.346	-0.486	20	10		EBCDMM
O=C(NC[C@@H]1CNC(=O)CO1)c1cc2cc(O)c([O-])cc2oc1=O	ZINC001155233344	831393457	/nfs/dbraw/zinc/39/34/57/831393457.db2.gz	AGWZLTCEHZNYAJ-QMMMGPOBSA-N	-1	1	334.284	-0.551	20	10		EBCDMM
CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1[O-])C2	ZINC000276105473	379810353	/nfs/dbraw/zinc/81/03/53/379810353.db2.gz	GVBPFVGYCOYCDN-UHFFFAOYSA-N	-1	1	349.366	-0.007	20	10		EBCDMM
CN1CCN(c2ccc(CNC(=O)CN3CC(=O)NC3=O)cc2)CC1	ZINC000881851375	584577770	/nfs/dbraw/zinc/57/77/70/584577770.db2.gz	JJCATKDGNLZJLQ-UHFFFAOYSA-N	-1	1	345.403	-0.394	20	10		EBCDMM
Cc1c(NC=C2C(=O)[N-]C(=S)NC2=O)cccc1-n1cnnn1	ZINC000920980088	650314837	/nfs/dbraw/zinc/31/48/37/650314837.db2.gz	WKVSVXYYWVBUQY-UHFFFAOYSA-N	-1	1	329.345	-0.203	20	10		EBCDMM
O=C(CN1CCS(=O)(=O)CC1)OCC(=O)c1ccc([O-])c(O)c1	ZINC000782862817	583474413	/nfs/dbraw/zinc/47/44/13/583474413.db2.gz	RUSBBJGBEVLBQC-UHFFFAOYSA-N	-1	1	343.357	-0.446	20	10		EBCDMM
CN(C)S(=O)(=O)N(C)CC(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000845198835	584102313	/nfs/dbraw/zinc/10/23/13/584102313.db2.gz	CFBUZRWGBSBVAZ-UHFFFAOYSA-N	-1	1	346.361	-0.438	20	10		EBCDMM
CN(C)c1ccc(CNC(=O)[C@]2(C(=O)[O-])CNCCO2)cc1F	ZINC001341587078	843100179	/nfs/dbraw/zinc/10/01/79/843100179.db2.gz	VBFZQMPIWKDZCU-HNNXBMFYSA-N	-1	1	325.340	-0.049	20	10		EBCDMM
CN(C)C(=O)CN1C[C@@H]2CCN(C(=O)c3cc([O-])[nH]c(=O)c3)[C@@H]2C1	ZINC001269918273	815637782	/nfs/dbraw/zinc/63/77/82/815637782.db2.gz	WOJZDPSKNCGAQV-CMPLNLGQSA-N	-1	1	334.376	-0.273	20	10		EBCDMM
O=C(N[C@@H]1CCC(=O)NC1=O)c1cc2cc(O)c([O-])cc2oc1=O	ZINC001155230867	831393945	/nfs/dbraw/zinc/39/39/45/831393945.db2.gz	DQBBZVRKKOTTTE-MRVPVSSYSA-N	-1	1	332.268	-0.261	20	10		EBCDMM
COc1ccc(N2CCN(C(=O)[C@@]3(C(=O)[O-])CNCCO3)CC2)cc1	ZINC001353432858	832427572	/nfs/dbraw/zinc/42/75/72/832427572.db2.gz	QMPVKXXZZKFPTE-QGZVFWFLSA-N	-1	1	349.387	-0.213	20	10		EBCDMM
CNC(=O)CN1CCO[C@H]2CN(Cc3ccc(C(=O)[O-])cc3O)C[C@H]21	ZINC001231450753	812305143	/nfs/dbraw/zinc/30/51/43/812305143.db2.gz	SYSIOWIOAVZEJD-HIFRSBDPSA-N	-1	1	349.387	-0.279	20	10		EBCDMM
CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C(=O)c1cc([O-])[nH]c(=O)c1	ZINC001269918420	815638358	/nfs/dbraw/zinc/63/83/58/815638358.db2.gz	YZGSBVCITUDHTC-RYUDHWBXSA-N	-1	1	334.376	-0.130	20	10		EBCDMM
CS(=O)(=O)CCNC(=O)c1cc2cc(O)c([O-])cc2oc1=O	ZINC001155218319	831392525	/nfs/dbraw/zinc/39/25/25/831392525.db2.gz	QDAXFKVWGLOXBZ-UHFFFAOYSA-N	-1	1	327.314	-0.021	20	10		EBCDMM
NC(=O)c1cc(=O)cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)o1	ZINC001196209734	835370980	/nfs/dbraw/zinc/37/09/80/835370980.db2.gz	QCIUXAFRAPUHAQ-UHFFFAOYSA-N	-1	1	332.268	-0.237	20	10		EBCDMM
CC(C)CN1C(=O)/C(=C/NNS(=O)(=O)C(C)C)C(=O)[N-]C1=S	ZINC000749969789	583133117	/nfs/dbraw/zinc/13/31/17/583133117.db2.gz	XHLGOAVAARTETE-WEVVVXLNSA-N	-1	1	348.450	-0.398	20	10		EBCDMM
C[C@@H]1NC(=O)[C@H](CCC(=O)NCC(=O)c2ccc([O-])c(O)c2)NC1=O	ZINC001184093514	833320158	/nfs/dbraw/zinc/32/01/58/833320158.db2.gz	MOZRITZJCHRDGW-WPRPVWTQSA-N	-1	1	349.343	-0.820	20	10		EBCDMM
COCCN1C(=O)C(=CNc2ccccc2C(N)=O)C(=O)[N-]C1=S	ZINC000920975911	650315131	/nfs/dbraw/zinc/31/51/31/650315131.db2.gz	KRNAVCINFRFBHE-CSKARUKUSA-N	-1	1	348.384	-0.029	20	10		EBCDMM
C[N@H+]1CCN(C(=O)c2cc([O-])[nH]c(=O)c2)C[C@]2(CCCC(=O)N2)C1	ZINC001269919022	815638294	/nfs/dbraw/zinc/63/82/94/815638294.db2.gz	GNQCPEMZEVXECO-INIZCTEOSA-N	-1	1	334.376	-0.081	20	10		EBCDMM
COC(=O)[C@@H](NC(=O)c1cc2cc(O)c([O-])cc2oc1=O)[C@@H](C)O	ZINC001155231874	831394291	/nfs/dbraw/zinc/39/42/91/831394291.db2.gz	LJHCCXWLDOFQKN-INWYIAFRSA-N	-1	1	337.284	-0.144	20	10		EBCDMM
CC(C)NS(=O)(=O)NCCNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000296560308	381000140	/nfs/dbraw/zinc/00/01/40/381000140.db2.gz	CJUJPVPBZUXXJU-UHFFFAOYSA-N	-1	1	335.357	-0.201	20	10		EBCDMM
C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001220490257	811125258	/nfs/dbraw/zinc/12/52/58/811125258.db2.gz	YWYUZCFJUCUALG-DJCIAPRASA-N	-1	1	336.344	-0.472	20	10		EBCDMM
CNC(=O)CN1CCO[C@H]2CN(Cc3cc(C(=O)[O-])ccc3O)C[C@H]21	ZINC001231563650	812305305	/nfs/dbraw/zinc/30/53/05/812305305.db2.gz	LOIKOJNOGAPSIA-HIFRSBDPSA-N	-1	1	349.387	-0.279	20	10		EBCDMM
COCCN1C(=O)C(=CNNc2ncncc2F)C(=O)[N-]C1=S	ZINC000292100244	380486554	/nfs/dbraw/zinc/48/65/54/380486554.db2.gz	ZGQMGCBCFLTOIS-DAXSKMNVSA-N	-1	1	340.340	-0.694	20	10		EBCDMM
CNS(=O)(=O)NC1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000846644919	584129334	/nfs/dbraw/zinc/12/93/34/584129334.db2.gz	YEVDRJPRVPVIQT-UHFFFAOYSA-N	-1	1	347.368	-0.105	20	10		EBCDMM
NC(=O)N[C@@H](CO)C(=O)NCc1cccc(Br)c1[O-]	ZINC000765730405	583287086	/nfs/dbraw/zinc/28/70/86/583287086.db2.gz	UVAAVBDZBKZVFQ-QMMMGPOBSA-N	-1	1	332.154	-0.200	20	10		EBCDMM
Cn1cc(S(=O)(=O)[N-]CCc2ccc(N)cc2)c(=O)n(C)c1=O	ZINC000194413981	649982900	/nfs/dbraw/zinc/98/29/00/649982900.db2.gz	FSLVWTYOIPWNDI-UHFFFAOYSA-N	-1	1	338.389	-0.813	20	10		EBCDMM
COc1ccc(N2CCN(C(=O)[C@]3(C(=O)[O-])CNCCO3)CC2)cc1	ZINC001353432854	832427510	/nfs/dbraw/zinc/42/75/10/832427510.db2.gz	QMPVKXXZZKFPTE-KRWDZBQOSA-N	-1	1	349.387	-0.213	20	10		EBCDMM
O=C(Cn1ncn2nccc2c1=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC001320879388	838854644	/nfs/dbraw/zinc/85/46/44/838854644.db2.gz	QTWRUOAAXSBCGO-UHFFFAOYSA-N	-1	1	344.283	-0.272	20	10		EBCDMM
Cn1ccn2c(CCNC(=O)c3c(F)ccc(O)c3[O-])nnc2c1=O	ZINC001649060835	1126866738	/nfs/dbraw/zinc/86/67/38/1126866738.db2.gz	DRISPOJFZAWDPD-UHFFFAOYSA-N	-1	1	347.306	-0.049	20	10		EBCDMM
COCCN1C(=O)C(=CN[C@H](C(=O)OC)C(C)C)C(=O)[N-]C1=S	ZINC000060864253	381243863	/nfs/dbraw/zinc/24/38/63/381243863.db2.gz	NUADEANZOXLJFK-RNKPRXRFSA-N	-1	1	343.405	-0.453	20	10		EBCDMM
Cn1ccc(=O)n(CCCNC(=O)c2c(F)ccc(O)c2[O-])c1=O	ZINC000819942917	583763957	/nfs/dbraw/zinc/76/39/57/583763957.db2.gz	MOTDIMJCWAPNPH-UHFFFAOYSA-N	-1	1	337.307	-0.083	20	10		EBCDMM
COc1cccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1O	ZINC000821867391	583805044	/nfs/dbraw/zinc/80/50/44/583805044.db2.gz	FDHAMWQUJTUATO-UHFFFAOYSA-N	-1	1	330.308	-0.511	20	10		EBCDMM
O=C(CNC(=O)c1cc2n(n1)CCNC2=O)c1ccc([O-])c(O)c1	ZINC001147551418	830360329	/nfs/dbraw/zinc/36/03/29/830360329.db2.gz	VOJWHVPNFSCUDB-UHFFFAOYSA-N	-1	1	330.300	-0.350	20	10		EBCDMM
O=C(NC[C@H]1CNC(=O)CO1)c1cc2cc(O)c([O-])cc2oc1=O	ZINC001155233340	831394066	/nfs/dbraw/zinc/39/40/66/831394066.db2.gz	AGWZLTCEHZNYAJ-MRVPVSSYSA-N	-1	1	334.284	-0.551	20	10		EBCDMM
CC(C)CN1C(=O)/C(=C\NNS(=O)(=O)C(C)C)C(=O)[N-]C1=S	ZINC000749969776	583133149	/nfs/dbraw/zinc/13/31/49/583133149.db2.gz	XHLGOAVAARTETE-UITAMQMPSA-N	-1	1	348.450	-0.398	20	10		EBCDMM
Cn1c(=O)ccn(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1=O	ZINC000782777991	583473775	/nfs/dbraw/zinc/47/37/75/583473775.db2.gz	ARDKLWNMUJXAHW-UHFFFAOYSA-N	-1	1	334.284	-0.616	20	10		EBCDMM
CNC(=O)CN(CC(=O)NC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC001207433956	836798179	/nfs/dbraw/zinc/79/81/79/836798179.db2.gz	RVXWFNRKYVFRSK-UHFFFAOYSA-N	-1	1	340.336	-0.397	20	10		EBCDMM
NC(=O)[C@H]1CN(C(=O)c2cc3cc(O)c([O-])cc3oc2=O)CCO1	ZINC001155225604	831392823	/nfs/dbraw/zinc/39/28/23/831392823.db2.gz	MFGCSHSYHZZSAQ-GFCCVEGCSA-N	-1	1	334.284	-0.470	20	10		EBCDMM
Cn1[n-]c(COC(=O)c2cc(NS(C)(=O)=O)ccc2O)nc1=O	ZINC000765457071	583282837	/nfs/dbraw/zinc/28/28/37/583282837.db2.gz	DYKXBFPTIHVLEJ-UHFFFAOYSA-N	-1	1	342.333	-0.458	20	10		EBCDMM
CN1CCN(c2ccc(CNC(=O)C[C@@H]3NC(=O)NC3=O)cc2)CC1	ZINC000881852601	584577821	/nfs/dbraw/zinc/57/78/21/584577821.db2.gz	XFCYSTQBFCLEFP-AWEZNQCLSA-N	-1	1	345.403	-0.347	20	10		EBCDMM
O=C(NC[C@]1(O)CCNC[C@@H]1F)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001219621569	810775622	/nfs/dbraw/zinc/77/56/22/810775622.db2.gz	CVNZWHFINPHFNU-XJKSGUPXSA-N	-1	1	334.351	-0.042	20	10		EBCDMM
C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001220490258	811125244	/nfs/dbraw/zinc/12/52/44/811125244.db2.gz	YWYUZCFJUCUALG-VAXLJCBTSA-N	-1	1	336.344	-0.472	20	10		EBCDMM
CC(=O)N1CCN(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)CC1	ZINC001179035205	832944940	/nfs/dbraw/zinc/94/49/40/832944940.db2.gz	BIQKGJOCECZYEC-UHFFFAOYSA-N	-1	1	335.360	-0.439	20	10		EBCDMM
Cn1c(=O)cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)n(C)c1=O	ZINC001189439289	834156235	/nfs/dbraw/zinc/15/62/35/834156235.db2.gz	CEMFRYDIJGJDJH-UHFFFAOYSA-N	-1	1	333.300	-0.892	20	10		EBCDMM
CN(C)c1ccc(CNC(=O)[C@@]2(C(=O)[O-])CNCCO2)cc1F	ZINC001341587079	843100069	/nfs/dbraw/zinc/10/00/69/843100069.db2.gz	VBFZQMPIWKDZCU-OAHLLOKOSA-N	-1	1	325.340	-0.049	20	10		EBCDMM
COc1ccc(O)c(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1	ZINC000821838486	583804787	/nfs/dbraw/zinc/80/47/87/583804787.db2.gz	OEDGIANQDCYCSB-UHFFFAOYSA-N	-1	1	330.308	-0.511	20	10		EBCDMM
COCCS(=O)(=O)[N-][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC	ZINC001259965178	812819057	/nfs/dbraw/zinc/81/90/57/812819057.db2.gz	AACVPHJCEXPMSA-JTQLQIEISA-N	-1	1	333.362	-0.252	20	10		EBCDMM
O=C(Cn1cc(F)c(=O)[nH]c1=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001183665373	833299675	/nfs/dbraw/zinc/29/96/75/833299675.db2.gz	XLLGUFMFWSWEHK-UHFFFAOYSA-N	-1	1	337.263	-0.502	20	10		EBCDMM
Cc1ccc(O)c(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1	ZINC001328853807	840769694	/nfs/dbraw/zinc/76/96/94/840769694.db2.gz	YCEJHCRYZOLWGL-UHFFFAOYSA-N	-1	1	339.373	-0.423	20	10		EBCDMM
Cn1c2ncn(CC(=O)c3ccc([O-])c(O)c3)c2c(=O)n(C)c1=O	ZINC000016056295	582625105	/nfs/dbraw/zinc/62/51/05/582625105.db2.gz	BWFVYRJYROXSRU-UHFFFAOYSA-N	-1	1	330.300	-0.272	20	10		EBCDMM
COCCN1C(=O)C(=CNNc2cccc(F)n2)C(=O)[N-]C1=S	ZINC000794698026	583585119	/nfs/dbraw/zinc/58/51/19/583585119.db2.gz	GJHNXFQURUIUGP-FPLPWBNLSA-N	-1	1	339.352	-0.089	20	10		EBCDMM
O=C(N[C@H]1CCC(=O)NC1=O)c1cc2cc(O)c([O-])cc2oc1=O	ZINC001155230868	831393417	/nfs/dbraw/zinc/39/34/17/831393417.db2.gz	DQBBZVRKKOTTTE-QMMMGPOBSA-N	-1	1	332.268	-0.261	20	10		EBCDMM
COCCOCCCNC=C1C(=O)[N-]C(=S)N(CCOC)C1=O	ZINC000052529274	379193273	/nfs/dbraw/zinc/19/32/73/379193273.db2.gz	CZQSDWPUCFGCOW-KHPPLWFESA-N	-1	1	345.421	-0.597	20	10		EBCDMM
CS(=O)(=O)N1CC(C(=O)NCC(=O)c2ccc([O-])c(O)c2)C1	ZINC001183024577	833276297	/nfs/dbraw/zinc/27/62/97/833276297.db2.gz	CDPKRUFYQDYRQT-UHFFFAOYSA-N	-1	1	328.346	-0.712	20	10		EBCDMM
CNS(=O)(=O)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC001183450683	833290970	/nfs/dbraw/zinc/29/09/70/833290970.db2.gz	INWBHZAQIOATEQ-UHFFFAOYSA-N	-1	1	333.341	-0.541	20	10		EBCDMM
O=C(CN1C(=O)CSC1=S)NCCCC[P@@](=O)([O-])O	ZINC001144848161	830168449	/nfs/dbraw/zinc/16/84/49/830168449.db2.gz	DWMAFJPYRCGYDV-UHFFFAOYSA-N	-1	1	326.336	-0.079	20	10		EBCDMM
COCCn1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cnc1=O	ZINC001197712647	835599466	/nfs/dbraw/zinc/59/94/66/835599466.db2.gz	LZPVSWGZTZFQRL-UHFFFAOYSA-N	-1	1	347.327	-0.086	20	10		EBCDMM
Cn1c(N)c(C(=O)C[N@@H+](C)Cc2ccccc2O)c(=O)n(C)c1=O	ZINC000109771181	376606872	/nfs/dbraw/zinc/60/68/72/376606872.db2.gz	LFCMHXKURYDTMN-UHFFFAOYSA-N	-1	1	332.360	-0.314	20	10		EBCDMM
COCCS(=O)(=O)CC(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000782914109	583475221	/nfs/dbraw/zinc/47/52/21/583475221.db2.gz	PFPWKGBZTMLSQT-UHFFFAOYSA-N	-1	1	332.330	-0.115	20	10		EBCDMM
COCCN1C(=O)C(=CNNc2cccc(F)n2)C(=O)[N-]C1=S	ZINC000794698025	583585142	/nfs/dbraw/zinc/58/51/42/583585142.db2.gz	GJHNXFQURUIUGP-BQYQJAHWSA-N	-1	1	339.352	-0.089	20	10		EBCDMM
O=C([O-])CNC(=O)CNCc1ccc(N2CCOCC2)c(F)c1	ZINC001331993651	841544942	/nfs/dbraw/zinc/54/49/42/841544942.db2.gz	DAMFXOPWTHWOHZ-UHFFFAOYSA-N	-1	1	325.340	-0.047	20	10		EBCDMM
COC(=O)c1cn(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)nn1	ZINC000786551321	583510907	/nfs/dbraw/zinc/51/09/07/583510907.db2.gz	UAADIFKJVPCSDA-UHFFFAOYSA-N	-1	1	335.272	-0.098	20	10		EBCDMM
COC(=O)c1cc(CNC=C2C(=O)[N-]C(=S)NC2=O)ccc1OC	ZINC000920978846	650315179	/nfs/dbraw/zinc/31/51/79/650315179.db2.gz	UHDYFRKROYGXDF-UHFFFAOYSA-N	-1	1	349.368	-0.014	20	10		EBCDMM
NC(=O)[C@@H]1CN(C(=O)c2cc3cc(O)c([O-])cc3oc2=O)CCO1	ZINC001155225608	831392911	/nfs/dbraw/zinc/39/29/11/831392911.db2.gz	MFGCSHSYHZZSAQ-LBPRGKRZSA-N	-1	1	334.284	-0.470	20	10		EBCDMM
COCCN1C(=O)C(=CN[C@@H](C(=O)OC)C(C)C)C(=O)[N-]C1=S	ZINC000293034395	380494259	/nfs/dbraw/zinc/49/42/59/380494259.db2.gz	NUADEANZOXLJFK-UJICNMFASA-N	-1	1	343.405	-0.453	20	10		EBCDMM
COc1c([O-])c(CN2CCN(C(=O)CO)CC2)ccc1[N+](=O)[O-]	ZINC000793594797	583567627	/nfs/dbraw/zinc/56/76/27/583567627.db2.gz	ROUCZYPOZFUUCS-UHFFFAOYSA-N	-1	1	325.321	-0.055	20	10		EBCDMM
C[N@H+]1CCN(C(=O)c2cc([O-])[nH]c(=O)c2)C[C@@]2(CCCC(=O)N2)C1	ZINC001269919023	815638011	/nfs/dbraw/zinc/63/80/11/815638011.db2.gz	GNQCPEMZEVXECO-MRXNPFEDSA-N	-1	1	334.376	-0.081	20	10		EBCDMM
CNS(=O)(=O)CCNC(=O)c1cc2cc(O)c([O-])cc2oc1=O	ZINC001155232336	831394154	/nfs/dbraw/zinc/39/41/54/831394154.db2.gz	SPCWIOMLQUHZQZ-UHFFFAOYSA-N	-1	1	342.329	-0.517	20	10		EBCDMM
C[C@@H](C(=O)NCc1c(O)cccc1O)n1cnc(-c2nn[n-]n2)n1	ZINC001573731743	948595086	/nfs/dbraw/zinc/59/50/86/948595086.db2.gz	YFEKNTMHOVIHBT-ZETCQYMHSA-N	-1	1	330.308	-0.253	20	10		EBCDMM
C[C@H](C(=O)NCc1c(O)cccc1O)n1cnc(-c2nn[n-]n2)n1	ZINC001573731742	948595240	/nfs/dbraw/zinc/59/52/40/948595240.db2.gz	YFEKNTMHOVIHBT-SSDOTTSWSA-N	-1	1	330.308	-0.253	20	10		EBCDMM
CN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)C1=O	ZINC000783668619	583481021	/nfs/dbraw/zinc/48/10/21/583481021.db2.gz	QRVBILMBPXZNFK-UHFFFAOYSA-N	-1	1	336.256	-0.756	20	10		EBCDMM
CO[N-]C(=O)CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1	ZINC000924006083	650359189	/nfs/dbraw/zinc/35/91/89/650359189.db2.gz	ILJVIRJBSCOSHG-UHFFFAOYSA-N	-1	1	335.408	-0.085	20	10		EBCDMM
COc1cc(C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)cc(OC)n1	ZINC001030612582	730613386	/nfs/dbraw/zinc/61/33/86/730613386.db2.gz	USKMGMRDDGZKJR-UHFFFAOYSA-N	-1	1	348.363	-0.865	20	10		EBCDMM
Cn1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(=O)n(C)c1=O	ZINC000783702934	583481108	/nfs/dbraw/zinc/48/11/08/583481108.db2.gz	CHOFHVDLSNQDAI-UHFFFAOYSA-N	-1	1	334.284	-0.465	20	10		EBCDMM
CN(C)S(=O)(=O)N1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1	ZINC000825427943	583860764	/nfs/dbraw/zinc/86/07/64/583860764.db2.gz	QKJQEYQKGIXRCB-UHFFFAOYSA-N	-1	1	347.368	-0.199	20	10		EBCDMM
O=C(NCCS(=O)(=O)N1CCOCC1)c1c(F)ccc(O)c1[O-]	ZINC000825652918	583864853	/nfs/dbraw/zinc/86/48/53/583864853.db2.gz	OSPKSNGFTCLWEY-UHFFFAOYSA-N	-1	1	348.352	-0.371	20	10		EBCDMM
CN1CC[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)S1(=O)=O	ZINC000830170133	583964886	/nfs/dbraw/zinc/96/48/86/583964886.db2.gz	IKSHPGBTLSNFEE-GFCCVEGCSA-N	-1	1	329.330	-0.142	20	10		EBCDMM
CN1CC[C@@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)S1(=O)=O	ZINC000830170135	583964917	/nfs/dbraw/zinc/96/49/17/583964917.db2.gz	IKSHPGBTLSNFEE-LBPRGKRZSA-N	-1	1	329.330	-0.142	20	10		EBCDMM
Cn1cc(S(=O)(=O)[N-]Cc2ccccc2O)c(=O)n(C)c1=O	ZINC000319325549	649994447	/nfs/dbraw/zinc/99/44/47/649994447.db2.gz	QXPMGAMNXRZEJI-UHFFFAOYSA-N	-1	1	325.346	-0.732	20	10		EBCDMM
CCOC(=O)CCCNC=C1C(=O)[N-]C(=S)N(CCOC)C1=O	ZINC000299252323	520638309	/nfs/dbraw/zinc/63/83/09/520638309.db2.gz	DGYSMVSDAHFRSJ-KTKRTIGZSA-N	-1	1	343.405	-0.307	20	10		EBCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C(N)=O)[nH]n2)c1	ZINC000757903137	583196859	/nfs/dbraw/zinc/19/68/59/583196859.db2.gz	IEWIHZSUWYXLGS-UHFFFAOYSA-N	-1	1	339.333	-0.162	20	10		EBCDMM
CN(C)c1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1F	ZINC000821589301	583794647	/nfs/dbraw/zinc/79/46/47/583794647.db2.gz	HNGOQJVSTZXIJH-UHFFFAOYSA-N	-1	1	345.342	-0.020	20	10		EBCDMM
COCCN1C(=O)C(=CNCCCn2ccnc2)C(=O)[N-]C1=S	ZINC000060861393	381244447	/nfs/dbraw/zinc/24/44/47/381244447.db2.gz	HERABOQTGFGHFO-LUAWRHEFSA-N	-1	1	337.405	-0.364	20	10		EBCDMM
CS(=O)(=O)c1ccccc1NNC=C1C(=O)[N-]C(=S)NC1=O	ZINC000764414295	583272930	/nfs/dbraw/zinc/27/29/30/583272930.db2.gz	SHFGEOOBTGXMOS-UHFFFAOYSA-N	-1	1	340.386	-0.579	20	10		EBCDMM
CN(Cc1ccccc1O)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C	ZINC000825981512	583872686	/nfs/dbraw/zinc/87/26/86/583872686.db2.gz	UGVOOTMILXRAIW-UHFFFAOYSA-N	-1	1	343.347	-0.394	20	10		EBCDMM