smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(/N=N/c2ccccc2)c2cc(S(=O)(=O)[O-])ccc12	ZINC000004523150	201604770	/nfs/dbraw/zinc/60/47/70/201604770.db2.gz	GYHKIXZQDCKUPI-VHEBQXMUSA-N	-1	0	327.365	4.084	40	10		EICBRM
Cc1cc(/N=N/C(=O)c2cccnc2)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000005587471	563541445	/nfs/dbraw/zinc/54/14/45/563541445.db2.gz	CVDUZBCPURUGRO-QURGRASLSA-N	-1	0	348.362	4.111	40	10		EICBRM
Nc1cc(Cl)ccc1Nc1nc(-c2ccccc2)ccc1C(=O)[O-]	ZINC000006864574	563589295	/nfs/dbraw/zinc/58/92/95/563589295.db2.gz	ITZVQXOBJPHGCE-UHFFFAOYSA-N	-1	0	339.782	4.426	40	10		EICBRM
O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccccc1	ZINC000100407968	563982600	/nfs/dbraw/zinc/98/26/00/563982600.db2.gz	GTRGJJDVSJFNTE-ZCXUNETKSA-N	-1	0	328.349	4.208	40	10		EICBRM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@@H](c1ccccn1)N2	ZINC000004168295	564026629	/nfs/dbraw/zinc/02/66/29/564026629.db2.gz	UOOMRAKLNOZSDI-USBNGQNGSA-N	-1	0	326.783	4.260	40	10		EICBRM
Cc1ccccc1NC1=NC(=O)C(=Cc2ccc([O-])c(Cl)c2)S1	ZINC000072042039	202365152	/nfs/dbraw/zinc/36/51/52/202365152.db2.gz	BLSNJHZHKDXSGB-DHDCSXOGSA-N	-1	0	344.823	4.436	40	10		EICBRM
Cc1ccc(CO)c2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000004623668	563506240	/nfs/dbraw/zinc/50/62/40/563506240.db2.gz	GMRQDMOWAMYVIM-QKLQHJQFSA-N	-1	0	335.403	4.012	40	10		EICBRM
CCCOC(=O)c1cccc(NN=C2C=C(C)C(=O)C(C(=O)[O-])=C2)c1	ZINC000070462724	564063688	/nfs/dbraw/zinc/06/36/88/564063688.db2.gz	OGYKARRZZSHHSK-FMQUCBEESA-N	-1	0	342.351	4.381	40	10		EICBRM
Cc1ccc(CO)c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000004623661	563506057	/nfs/dbraw/zinc/50/60/57/563506057.db2.gz	GMRQDMOWAMYVIM-ABSDTBQOSA-N	-1	0	335.403	4.012	40	10		EICBRM
CCCOC(=O)c1ccc(NN=C2C=CC(=O)C(CC(=O)[O-])=C2)cc1	ZINC000100014513	563982280	/nfs/dbraw/zinc/98/22/80/563982280.db2.gz	DPHOCQNZARWEHS-VXPUYCOJSA-N	-1	0	342.351	4.002	40	10	in-vitro	EICBRM
Cc1ccc(CO)c2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000004623662	563506235	/nfs/dbraw/zinc/50/62/35/563506235.db2.gz	GMRQDMOWAMYVIM-ZWOKBUDYSA-N	-1	0	335.403	4.012	40	10		EICBRM
CN(C)c1ccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2)cc1	ZINC000005849390	563552164	/nfs/dbraw/zinc/55/21/64/563552164.db2.gz	JVMLUKSHUAKZLI-LJQANCHMSA-N	-1	0	331.419	4.050	40	10		EICBRM
Cc1ccc(Nc2ccc(O)c3c2C(=O)C2=CCC=C[C@H]2C3=O)c(C)c1	ZINC000068601264	563963292	/nfs/dbraw/zinc/96/32/92/563963292.db2.gz	XCTVLHMEBPTXLG-LSDHHAIUSA-N	-1	0	345.398	4.490	40	10		EICBRM
COc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)cc1	ZINC000408940709	564008184	/nfs/dbraw/zinc/00/81/84/564008184.db2.gz	CVHFNMLHQZCWIE-UHFFFAOYSA-N	-1	0	339.366	4.309	40	10		EICBRM
O=C1C=Cc2ccc(S(=O)(=O)[O-])cc2C1=NNc1ccccc1	ZINC000104366306	204106074	/nfs/dbraw/zinc/10/60/74/204106074.db2.gz	UKUDENMHDUNDBF-ZCXUNETKSA-N	-1	0	328.349	4.208	40	10		EICBRM
Cc1cc(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1Br	ZINC000131291304	205281997	/nfs/dbraw/zinc/28/19/97/205281997.db2.gz	PSDFGFYEPFNDIS-UHFFFAOYSA-N	-1	0	328.593	4.208	40	10		EICBRM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(Cl)cn1	ZINC000016160799	563804840	/nfs/dbraw/zinc/80/48/40/563804840.db2.gz	AGSMJNXHJKIASG-ZROIWOOFSA-N	-1	0	347.205	4.107	40	10		EICBRM
CCCCOC(=O)c1cccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)c1	ZINC000070462694	564063656	/nfs/dbraw/zinc/06/36/56/564063656.db2.gz	KOWZWRDEFUTPHN-FMQUCBEESA-N	-1	0	342.351	4.463	40	10		EICBRM
O=C([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000004959407	564005596	/nfs/dbraw/zinc/00/55/96/564005596.db2.gz	HCIYEXVHIYQVBY-MPGHIAIKSA-N	-1	0	336.347	4.120	40	10		EICBRM
COc1cccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)c1	ZINC000408945178	564008173	/nfs/dbraw/zinc/00/81/73/564008173.db2.gz	KJFJVFJJVFUCFN-UHFFFAOYSA-N	-1	0	339.366	4.309	40	10		EICBRM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccn1)N2	ZINC000004168296	564026608	/nfs/dbraw/zinc/02/66/08/564026608.db2.gz	UOOMRAKLNOZSDI-LYOVBCGYSA-N	-1	0	326.783	4.260	40	10		EICBRM
CC1=CC(=NNc2ccc(C(=O)OC(C)C)cc2)C=C(C(=O)[O-])C1=O	ZINC000070462717	564063649	/nfs/dbraw/zinc/06/36/49/564063649.db2.gz	KHQNNBWUSOUSHP-FMQUCBEESA-N	-1	0	342.351	4.379	40	10		EICBRM
CC(C)N1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2[O-])SC1=S	ZINC000036613183	201952560	/nfs/dbraw/zinc/95/25/60/201952560.db2.gz	DASBQBTYVOACIY-WMZJFQQLSA-N	-1	0	348.276	4.309	40	10		EICBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	ZINC000004116904	563494885	/nfs/dbraw/zinc/49/48/85/563494885.db2.gz	LHSUTBGPVJHKPC-RLFYNMQTSA-N	-1	0	336.347	4.120	40	10		EICBRM
O=C([O-])c1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2C=CC[C@@H]21	ZINC000409159645	564010570	/nfs/dbraw/zinc/01/05/70/564010570.db2.gz	OKSHOUJNSYMMOZ-FHSNZYRGSA-N	-1	0	336.347	4.120	40	10		EICBRM
Nc1ccc(/N=N/c2cccc(S(=O)(=O)[O-])c2)c2ccccc12	ZINC000004523149	210213885	/nfs/dbraw/zinc/21/38/85/210213885.db2.gz	COAVSGQDMBDKLG-VHEBQXMUSA-N	-1	0	327.365	4.084	40	10		EICBRM
CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004140548	210130226	/nfs/dbraw/zinc/13/02/26/210130226.db2.gz	NXZMPSFMEMOYEX-QKLQHJQFSA-N	-1	0	333.387	4.414	40	10		EICBRM
Cc1cc(C)c(/N=N\c2cc(C)c(N)cc2C)c(S(=O)(=O)[O-])c1	ZINC000017303090	563842651	/nfs/dbraw/zinc/84/26/51/563842651.db2.gz	FZXGFGSGKDOGMB-HNENSFHCSA-N	-1	0	333.413	4.165	40	10		EICBRM
O=C([O-])c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)cc1	ZINC000058929358	564050411	/nfs/dbraw/zinc/05/04/11/564050411.db2.gz	OXUFAGYAPAHUMX-KEYYUXOJSA-N	-1	0	336.347	4.120	40	10		EICBRM
O=C([O-])c1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	ZINC000004959404	210340974	/nfs/dbraw/zinc/34/09/74/210340974.db2.gz	HCIYEXVHIYQVBY-HDMKZQKVSA-N	-1	0	336.347	4.120	40	10		EICBRM
O=S(=O)([O-])c1ccc(/N=N/c2ccccc2)c2c(O)cccc12	ZINC000013403603	563697785	/nfs/dbraw/zinc/69/77/85/563697785.db2.gz	BDGXTLNETVWTNN-ISLYRVAYSA-N	-1	0	328.349	4.208	40	10		EICBRM
CCCOC(=O)c1ccc(NN=C2C=C(C)C(=O)C(C(=O)[O-])=C2)cc1	ZINC000070462718	564063626	/nfs/dbraw/zinc/06/36/26/564063626.db2.gz	PUJSTCOLUSOAQI-FMQUCBEESA-N	-1	0	342.351	4.381	40	10		EICBRM
O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1ccccc1	ZINC000012405047	564127836	/nfs/dbraw/zinc/12/78/36/564127836.db2.gz	GTRGJJDVSJFNTE-UHFFFAOYSA-N	-1	0	328.349	4.208	40	10		EICBRM
O=C([O-])c1ccc([N+](=O)[O-])c2c1N[C@@H]([C@H]1CC=CCC1)[C@@H]1CC=C[C@H]21	ZINC000004718536	210258327	/nfs/dbraw/zinc/25/83/27/210258327.db2.gz	AMXXQAQJHXLUKO-JRATXPSKSA-N	-1	0	340.379	4.103	40	10		EICBRM
Cc1ccc(CO)c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000004623664	210234322	/nfs/dbraw/zinc/23/43/22/210234322.db2.gz	GMRQDMOWAMYVIM-SQGPQFPESA-N	-1	0	335.403	4.012	40	10		EICBRM
COc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(C)cc2)cc1	ZINC000009280349	211060817	/nfs/dbraw/zinc/06/08/17/211060817.db2.gz	QTLYGBXFHABWDI-UHFFFAOYSA-N	-1	0	335.403	4.479	40	10		EICBRM
Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc3c(c1)OCO3)[C@H]1CC=C[C@@H]21	ZINC000408841194	257887612	/nfs/dbraw/zinc/88/76/12/257887612.db2.gz	JNWYBDYBOFPRLC-SIFCLUCFSA-N	-1	0	349.386	4.248	40	10		EICBRM
COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccccc2C)cc1	ZINC000408943752	564008212	/nfs/dbraw/zinc/00/82/12/564008212.db2.gz	IEGAJCZIGQHVFO-UHFFFAOYSA-N	-1	0	335.403	4.479	40	10		EICBRM
COc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(F)cc1	ZINC000408947019	564008255	/nfs/dbraw/zinc/00/82/55/564008255.db2.gz	NKWKLKFNIHOGKZ-UHFFFAOYSA-N	-1	0	339.366	4.309	40	10		EICBRM
O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccnc1)N2	ZINC000409156148	564010629	/nfs/dbraw/zinc/01/06/29/564010629.db2.gz	SETRVZNZKPJLKW-HSMVNMDESA-N	-1	0	326.783	4.260	40	10		EICBRM
Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1ccc2ccccc2c1	ZINC000033248615	564050112	/nfs/dbraw/zinc/05/01/12/564050112.db2.gz	FZEDPVSGOPKZDD-WQRHYEAKSA-N	-1	0	331.375	4.268	40	10		EICBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1nc2ccccc2s1	ZINC000100988543	219112489	/nfs/dbraw/zinc/11/24/89/219112489.db2.gz	MSZZBCUCPJAOIO-OAHLLOKOSA-N	-1	0	339.445	4.180	40	10		EICBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(F)cc(F)cc2[C@@H]2C=CC[C@H]21	ZINC000409158543	564010574	/nfs/dbraw/zinc/01/05/74/564010574.db2.gz	XPEVSAHRIVMQFO-PSTGCABASA-N	-1	0	327.330	4.490	40	10		EICBRM
O=C([O-])c1ccc([N+](=O)[O-])c2c1N[C@H]([C@H]1CC=CCC1)[C@H]1CC=C[C@H]21	ZINC000004718533	210257185	/nfs/dbraw/zinc/25/71/85/210257185.db2.gz	AMXXQAQJHXLUKO-NEULZYRMSA-N	-1	0	340.379	4.103	40	10		EICBRM
CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004140546	210131582	/nfs/dbraw/zinc/13/15/82/210131582.db2.gz	NXZMPSFMEMOYEX-ZWOKBUDYSA-N	-1	0	333.387	4.414	40	10		EICBRM
Nc1c(/N=N\c2ccccc2)cc(S(=O)(=O)[O-])c2ccccc12	ZINC000012403107	211368664	/nfs/dbraw/zinc/36/86/64/211368664.db2.gz	NVHYKPCSIVPAAM-HNENSFHCSA-N	-1	0	327.365	4.084	40	10		EICBRM
O=C([O-])c1cc(-c2ccc(C(=S)N3CCCCC3)o2)ccc1Cl	ZINC000409204147	257874931	/nfs/dbraw/zinc/87/49/31/257874931.db2.gz	CGHPTWUCGNNAMS-UHFFFAOYSA-N	-1	0	349.839	4.460	40	10		EICBRM
O=C([O-])c1ccc([C@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000000616833	563358756	/nfs/dbraw/zinc/35/87/56/563358756.db2.gz	DQSILZGBKAYAAI-JJRVBVJISA-N	-1	0	327.330	4.490	40	10		EICBRM
O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2	ZINC000409156149	564010607	/nfs/dbraw/zinc/01/06/07/564010607.db2.gz	SETRVZNZKPJLKW-WQGACYEGSA-N	-1	0	326.783	4.260	40	10		EICBRM
Cc1ccc(CO)c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	ZINC000014944379	564023861	/nfs/dbraw/zinc/02/38/61/564023861.db2.gz	GMRQDMOWAMYVIM-MBOZVWFJSA-N	-1	0	335.403	4.012	40	10		EICBRM
O=C([O-])[C@H]1[C@H]2CC=C[C@H]2c2c3ccccc3cc3c2N1C[C@H]1CC=C[C@H]31	ZINC000004797527	564028594	/nfs/dbraw/zinc/02/85/94/564028594.db2.gz	MQUABYFVEIZLIJ-RKZCSLLNSA-N	-1	0	343.426	4.446	40	10		EICBRM
CN(C)c1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc1	ZINC000213606232	564129752	/nfs/dbraw/zinc/12/97/52/564129752.db2.gz	QRCSBRIKHYFIIR-WJDWOHSUSA-N	-1	0	340.404	4.112	40	10		EICBRM
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000001461837	209752393	/nfs/dbraw/zinc/75/23/93/209752393.db2.gz	NXZMPSFMEMOYEX-MBOZVWFJSA-N	-1	0	333.387	4.414	40	10		EICBRM
O=C([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	ZINC000004959405	210340137	/nfs/dbraw/zinc/34/01/37/210340137.db2.gz	HCIYEXVHIYQVBY-DAYGRLMNSA-N	-1	0	336.347	4.120	40	10		EICBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	ZINC000004859610	210305782	/nfs/dbraw/zinc/30/57/82/210305782.db2.gz	GHKHTCDNBJXQBZ-ZJNRKIDTSA-N	-1	0	336.347	4.120	40	10		EICBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2C=CC[C@H]21	ZINC000409165999	564010719	/nfs/dbraw/zinc/01/07/19/564010719.db2.gz	BSNHEYIIRLUXNP-PSTGCABASA-N	-1	0	336.347	4.120	40	10		EICBRM
O=C([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000014165774	568418725	/nfs/dbraw/zinc/41/87/25/568418725.db2.gz	HCIYEXVHIYQVBY-VKJFTORMSA-N	-1	0	336.347	4.120	40	10		EICBRM
O=C1C=CC(=NNc2ccc(S(=O)(=O)[O-])cc2)c2ccccc21	ZINC000100412689	219098282	/nfs/dbraw/zinc/09/82/82/219098282.db2.gz	PURJGKXXWJKIQR-ZCXUNETKSA-N	-1	0	328.349	4.208	40	10	endogenous,in-man	EICBRM
O=C1c2ccccc2C(S(=O)(=O)[O-])=CC1=NNc1ccccc1	ZINC000104366696	219380137	/nfs/dbraw/zinc/38/01/37/219380137.db2.gz	DAISYBLBVLGOIY-ZCXUNETKSA-N	-1	0	328.349	4.208	40	10		EICBRM
Cc1cc(C(=O)[O-])c(C)n1-c1ccc(Br)cc1Cl	ZINC000037392079	213143695	/nfs/dbraw/zinc/14/36/95/213143695.db2.gz	VBATUOXXWUGGOL-UHFFFAOYSA-N	-1	0	328.593	4.208	40	10		EICBRM
O=C([O-])c1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000004959406	210340979	/nfs/dbraw/zinc/34/09/79/210340979.db2.gz	HCIYEXVHIYQVBY-RLFYNMQTSA-N	-1	0	336.347	4.120	40	10		EICBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	ZINC000004859608	210303823	/nfs/dbraw/zinc/30/38/23/210303823.db2.gz	GHKHTCDNBJXQBZ-JCGVRSQUSA-N	-1	0	336.347	4.120	40	10		EICBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(F)cc(F)cc2[C@H]2C=CC[C@@H]21	ZINC000409158539	564010573	/nfs/dbraw/zinc/01/05/73/564010573.db2.gz	XPEVSAHRIVMQFO-NVGCLXPQSA-N	-1	0	327.330	4.490	40	10		EICBRM
CC(C)OC(=O)c1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1	ZINC000070462706	564063633	/nfs/dbraw/zinc/06/36/33/564063633.db2.gz	NJRAECLQNATNKF-VHEBQXMUSA-N	-1	0	328.324	4.071	40	10		EICBRM
O=C([O-])c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21	ZINC000004714152	210256670	/nfs/dbraw/zinc/25/66/70/210256670.db2.gz	SLZXXWORYGGPLE-ZQIUZPCESA-N	-1	0	336.347	4.120	40	10		EICBRM
Nc1ccc(/N=N\c2ccc(S(=O)(=O)[O-])cc2)c2ccccc12	ZINC000016892244	563824896	/nfs/dbraw/zinc/82/48/96/563824896.db2.gz	OOXOSYJUYWJBFW-HNENSFHCSA-N	-1	0	327.365	4.084	40	10		EICBRM
O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2	ZINC000409156150	564010628	/nfs/dbraw/zinc/01/06/28/564010628.db2.gz	SETRVZNZKPJLKW-XHBSWPGZSA-N	-1	0	326.783	4.260	40	10		EICBRM
CCN(CC)c1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000012358829	564132681	/nfs/dbraw/zinc/13/26/81/564132681.db2.gz	OORQUAGUOJMPCS-UHFFFAOYSA-N	-1	0	333.413	4.195	40	10		EICBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1nc2ccccc2s1	ZINC000016607875	563817667	/nfs/dbraw/zinc/81/76/67/563817667.db2.gz	MSZZBCUCPJAOIO-HNNXBMFYSA-N	-1	0	339.445	4.180	40	10		EICBRM
CCCOC(=O)c1ccc(NN=C2C=CC(=O)C(CC(=O)[O-])=C2)cc1	ZINC000027643978	564133622	/nfs/dbraw/zinc/13/36/22/564133622.db2.gz	DPHOCQNZARWEHS-FMQUCBEESA-N	-1	0	342.351	4.002	40	10	in-vitro	EICBRM
O=C([O-])c1ccc([C@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000004223042	210146806	/nfs/dbraw/zinc/14/68/06/210146806.db2.gz	DQSILZGBKAYAAI-GRDNDAEWSA-N	-1	0	327.330	4.490	40	10		EICBRM
O=C([O-])c1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2C=CC[C@H]21	ZINC000409159648	257876813	/nfs/dbraw/zinc/87/68/13/257876813.db2.gz	OKSHOUJNSYMMOZ-SNUQEOBHSA-N	-1	0	336.347	4.120	40	10		EICBRM
COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cccc(C)c2)cc1	ZINC000408943750	257885830	/nfs/dbraw/zinc/88/58/30/257885830.db2.gz	IEEOGUQTAHZLGF-UHFFFAOYSA-N	-1	0	335.403	4.479	40	10		EICBRM
COc1cccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(C)cc2)c1	ZINC000408951536	564008292	/nfs/dbraw/zinc/00/82/92/564008292.db2.gz	UQEYYLUJVDTZQM-UHFFFAOYSA-N	-1	0	335.403	4.479	40	10		EICBRM
O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccncc1)N2	ZINC000409165102	564010668	/nfs/dbraw/zinc/01/06/68/564010668.db2.gz	SLMDBJFRDZIHFW-XHBSWPGZSA-N	-1	0	326.783	4.260	40	10		EICBRM
CC(C)OC(=O)c1cccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)c1	ZINC000070462692	564063632	/nfs/dbraw/zinc/06/36/32/564063632.db2.gz	AABYXEFUBGLYMY-VHEBQXMUSA-N	-1	0	328.324	4.071	40	10		EICBRM
Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccccc1Cl	ZINC000106693295	564014862	/nfs/dbraw/zinc/01/48/62/564014862.db2.gz	GTHWCUNHQIZOBB-ZSOIEALJSA-N	-1	0	332.812	4.071	40	10		EICBRM
O=C([O-])[C@H]1[C@@H]2CC=C[C@H]2c2c3ccccc3cc3c2N1C[C@H]1CC=C[C@H]31	ZINC000004797529	564028581	/nfs/dbraw/zinc/02/85/81/564028581.db2.gz	MQUABYFVEIZLIJ-GGODKQGSSA-N	-1	0	343.426	4.446	40	10		EICBRM
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004140547	210130560	/nfs/dbraw/zinc/13/05/60/210130560.db2.gz	NXZMPSFMEMOYEX-HLIPFELVSA-N	-1	0	333.387	4.414	40	10		EICBRM
O=C1/C(=C\c2ccc(O)c(Cl)c2)SC(=S)N1c1ccccc1	ZINC000408902214	564007941	/nfs/dbraw/zinc/00/79/41/564007941.db2.gz	MALORNFERSVAAV-NTEUORMPSA-N	-1	0	347.848	4.451	40	10		EICBRM
O=C([O-])[C@H]1[C@@H]2CC=C[C@@H]2c2c3ccccc3cc3c2N1C[C@H]1CC=C[C@H]31	ZINC000004797530	564028599	/nfs/dbraw/zinc/02/85/99/564028599.db2.gz	MQUABYFVEIZLIJ-RSKBGCLJSA-N	-1	0	343.426	4.446	40	10		EICBRM
O=C([O-])c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21	ZINC000169367830	564093122	/nfs/dbraw/zinc/09/31/22/564093122.db2.gz	SLZXXWORYGGPLE-KEYYUXOJSA-N	-1	0	336.347	4.120	40	10		EICBRM
O=C([O-])c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)cc1	ZINC000006971465	564129664	/nfs/dbraw/zinc/12/96/64/564129664.db2.gz	OXUFAGYAPAHUMX-VBQJREDUSA-N	-1	0	336.347	4.120	40	10		EICBRM
O=S(=O)([O-])c1ccc(/N=N\c2ccccc2)c2c(O)cccc12	ZINC000100368164	219097627	/nfs/dbraw/zinc/09/76/27/219097627.db2.gz	BDGXTLNETVWTNN-ZCXUNETKSA-N	-1	0	328.349	4.208	40	10		EICBRM
Cc1cc(C(=O)[O-])c(C)n1-c1ccc(Br)c(Cl)c1	ZINC000223705764	564040666	/nfs/dbraw/zinc/04/06/66/564040666.db2.gz	MEKMTIKWBGEQMY-UHFFFAOYSA-N	-1	0	328.593	4.208	40	10		EICBRM
Cc1cccc(NC2=NC(=O)C(=Cc3ccc([O-])c(Cl)c3)S2)c1	ZINC000060132549	564050926	/nfs/dbraw/zinc/05/09/26/564050926.db2.gz	LTVIYNCHJUUMLG-DHDCSXOGSA-N	-1	0	344.823	4.436	40	10		EICBRM
O=C([O-])c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccccc1)[C@@H]1CC=C[C@H]21	ZINC000004640850	210236589	/nfs/dbraw/zinc/23/65/89/210236589.db2.gz	PGPYRHJVANSWEO-AHIWAGSCSA-N	-1	0	336.347	4.120	40	10		EICBRM
Cc1ccc(NN=C(c2nc3ccccc3[nH]2)C2=NC(=O)CS2)cc1	ZINC000104298958	219371854	/nfs/dbraw/zinc/37/18/54/219371854.db2.gz	MOOTYKWSLGHWLW-GBWQBGJGSA-N	-1	0	349.419	4.368	40	10		EICBRM
O=C1c2ccccc2C=C(S(=O)(=O)[O-])C1=NNc1ccccc1	ZINC000004803983	210280237	/nfs/dbraw/zinc/28/02/37/210280237.db2.gz	SOFSEIQYPZMXEG-ISLYRVAYSA-N	-1	0	328.349	4.208	40	10		EICBRM
Nc1ccc(/N=N\c2ccccc2)c2cc(S(=O)(=O)[O-])ccc12	ZINC000017303086	563842598	/nfs/dbraw/zinc/84/25/98/563842598.db2.gz	GYHKIXZQDCKUPI-HNENSFHCSA-N	-1	0	327.365	4.084	40	10		EICBRM
CCCN1C(=O)/C(=C\c2cc(Cl)c([O-])c(Cl)c2)SC1=S	ZINC000409348270	564011823	/nfs/dbraw/zinc/01/18/23/564011823.db2.gz	SHEMBCLKTWGCGX-UXBLZVDNSA-N	-1	0	348.276	4.310	40	10		EICBRM
O=C([O-])c1ccc([N+](=O)[O-])c2c1N[C@H]([C@H]1CC=CCC1)[C@@H]1CC=C[C@H]21	ZINC000004718535	210257489	/nfs/dbraw/zinc/25/74/89/210257489.db2.gz	AMXXQAQJHXLUKO-APNQJHFZSA-N	-1	0	340.379	4.103	40	10		EICBRM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccccn1)N2	ZINC000004168297	210137720	/nfs/dbraw/zinc/13/77/20/210137720.db2.gz	UOOMRAKLNOZSDI-MMPTUQATSA-N	-1	0	326.783	4.260	40	10		EICBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	ZINC000004116905	210123300	/nfs/dbraw/zinc/12/33/00/210123300.db2.gz	LHSUTBGPVJHKPC-MPGHIAIKSA-N	-1	0	336.347	4.120	40	10		EICBRM
O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccncc1)N2	ZINC000409165101	564010676	/nfs/dbraw/zinc/01/06/76/564010676.db2.gz	SLMDBJFRDZIHFW-BFQNTYOBSA-N	-1	0	326.783	4.260	40	10		EICBRM
Cc1ccc(CO)c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000014944377	564023857	/nfs/dbraw/zinc/02/38/57/564023857.db2.gz	GMRQDMOWAMYVIM-FUHIMQAGSA-N	-1	0	335.403	4.012	40	10		EICBRM
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000409170446	564010678	/nfs/dbraw/zinc/01/06/78/564010678.db2.gz	VSEXDTHSMSHRCT-SIFCLUCFSA-N	-1	0	333.387	4.414	40	10		EICBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	ZINC000004859609	210305303	/nfs/dbraw/zinc/30/53/03/210305303.db2.gz	GHKHTCDNBJXQBZ-LXIYXOSZSA-N	-1	0	336.347	4.120	40	10		EICBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(F)cc(F)cc2[C@H]2C=CC[C@H]21	ZINC000409158548	564010564	/nfs/dbraw/zinc/01/05/64/564010564.db2.gz	XPEVSAHRIVMQFO-XWCIJXRUSA-N	-1	0	327.330	4.490	40	10		EICBRM
CC(=Nc1ccccc1Cl)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000112110162	564018133	/nfs/dbraw/zinc/01/81/33/564018133.db2.gz	XIXGUZHBBJEXCD-ATVHPVEESA-N	-1	0	325.799	4.449	40	10		EICBRM
O=C([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1	ZINC000013389138	564019765	/nfs/dbraw/zinc/01/97/65/564019765.db2.gz	HCIYEXVHIYQVBY-RKVPGOIHSA-N	-1	0	336.347	4.120	40	10		EICBRM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2	ZINC000004168298	210138157	/nfs/dbraw/zinc/13/81/57/210138157.db2.gz	UOOMRAKLNOZSDI-XMZIXOGTSA-N	-1	0	326.783	4.260	40	10		EICBRM
Nc1ccc(/N=N\c2cccc(S(=O)(=O)[O-])c2)c2ccccc12	ZINC000017303084	211963567	/nfs/dbraw/zinc/96/35/67/211963567.db2.gz	COAVSGQDMBDKLG-HNENSFHCSA-N	-1	0	327.365	4.084	40	10		EICBRM
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000111442547	220155202	/nfs/dbraw/zinc/15/52/02/220155202.db2.gz	NXZMPSFMEMOYEX-FUHIMQAGSA-N	-1	0	333.387	4.414	40	10		EICBRM
O=C([O-])c1ccc([N+](=O)[O-])c2c1N[C@@H]([C@H]1CC=CCC1)[C@H]1CC=C[C@H]21	ZINC000004718534	210257234	/nfs/dbraw/zinc/25/72/34/210257234.db2.gz	AMXXQAQJHXLUKO-MRHIQRDNSA-N	-1	0	340.379	4.103	40	10		EICBRM
CCCOC(=O)c1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1	ZINC000070462707	215698215	/nfs/dbraw/zinc/69/82/15/215698215.db2.gz	WASLBQCZIXYCEM-VHEBQXMUSA-N	-1	0	328.324	4.073	40	10		EICBRM
O=C1C=Cc2ccc(S(=O)(=O)[O-])cc2C1=NNc1ccccc1	ZINC000004803982	210279914	/nfs/dbraw/zinc/27/99/14/210279914.db2.gz	UKUDENMHDUNDBF-ISLYRVAYSA-N	-1	0	328.349	4.208	40	10		EICBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(F)cc(F)cc2[C@@H]2C=CC[C@@H]21	ZINC000409158536	257876949	/nfs/dbraw/zinc/87/69/49/257876949.db2.gz	XPEVSAHRIVMQFO-BWACUDIHSA-N	-1	0	327.330	4.490	40	10		EICBRM
O=C([O-])c1cc(-c2ccc(O)c(O)c2)nc2cc3ccccc3cc21	ZINC000001766681	563409892	/nfs/dbraw/zinc/40/98/92/563409892.db2.gz	HZMMDFCRPGBXLR-UHFFFAOYSA-N	-1	0	331.327	4.164	40	10		EICBRM
O=C([O-])[C@H]1[C@H]2CC=C[C@@H]2c2c3ccccc3cc3c2N1C[C@H]1CC=C[C@H]31	ZINC000004797528	564028582	/nfs/dbraw/zinc/02/85/82/564028582.db2.gz	MQUABYFVEIZLIJ-YFTJQFAHSA-N	-1	0	343.426	4.446	40	10		EICBRM
O=C([O-])c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21	ZINC000169367829	564093088	/nfs/dbraw/zinc/09/30/88/564093088.db2.gz	SLZXXWORYGGPLE-CPUCHLNUSA-N	-1	0	336.347	4.120	40	10		EICBRM
O=S(=O)([O-])c1ccc(N=Nc2ccccc2)c2c(O)cccc12	ZINC000003845154	564128925	/nfs/dbraw/zinc/12/89/25/564128925.db2.gz	BDGXTLNETVWTNN-UHFFFAOYSA-N	-1	0	328.349	4.208	40	10		EICBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	ZINC000004640853	210237012	/nfs/dbraw/zinc/23/70/12/210237012.db2.gz	GHKHTCDNBJXQBZ-VEVIJQCQSA-N	-1	0	336.347	4.120	40	10		EICBRM
Cc1cc(C)c(/N=N/c2cc(C)c(N)cc2C)c(S(=O)(=O)[O-])c1	ZINC000004523152	210213902	/nfs/dbraw/zinc/21/39/02/210213902.db2.gz	FZXGFGSGKDOGMB-VHEBQXMUSA-N	-1	0	333.413	4.165	40	10		EICBRM
COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(C)cc2)cc1	ZINC000408940558	564008182	/nfs/dbraw/zinc/00/81/82/564008182.db2.gz	CLUIVUVGSBSCJJ-UHFFFAOYSA-N	-1	0	335.403	4.479	40	10		EICBRM
O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2	ZINC000409156147	564010619	/nfs/dbraw/zinc/01/06/19/564010619.db2.gz	SETRVZNZKPJLKW-BFQNTYOBSA-N	-1	0	326.783	4.260	40	10		EICBRM
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000409170448	564010677	/nfs/dbraw/zinc/01/06/77/564010677.db2.gz	VSEXDTHSMSHRCT-SXGZJXTBSA-N	-1	0	333.387	4.414	40	10		EICBRM
CCCOC(=O)c1cccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)c1	ZINC000070462693	564063640	/nfs/dbraw/zinc/06/36/40/564063640.db2.gz	BBDMYJBJEOMUMV-VHEBQXMUSA-N	-1	0	328.324	4.073	40	10		EICBRM
CCCC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1cccs1	ZINC000036617169	213102865	/nfs/dbraw/zinc/10/28/65/213102865.db2.gz	IEXBGKDSFLOAAP-RVDMUPIBSA-N	-1	0	340.404	4.033	40	10		EICBRM
CCCC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C/c1cccs1	ZINC000036617130	213102497	/nfs/dbraw/zinc/10/24/97/213102497.db2.gz	CZMFQHJUNGPJHT-RVDMUPIBSA-N	-1	0	340.404	4.033	40	10		EICBRM
O=C1c2ccccc2C=C(S(=O)(=O)[O-])C1=NNc1ccccc1	ZINC000104366312	219379879	/nfs/dbraw/zinc/37/98/79/219379879.db2.gz	SOFSEIQYPZMXEG-ZCXUNETKSA-N	-1	0	328.349	4.208	40	10		EICBRM
O=C1C=Cc2ccccc2C1=NNc1ccc(S(=O)(=O)[O-])cc1	ZINC000013512486	211570362	/nfs/dbraw/zinc/57/03/62/211570362.db2.gz	RDUJRVXKAIVTDH-ZCXUNETKSA-N	-1	0	328.349	4.208	40	10	endogenous,in-man	EICBRM
O=C([O-])c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@H]32)cc1	ZINC000409164869	257876426	/nfs/dbraw/zinc/87/64/26/257876426.db2.gz	OXUFAGYAPAHUMX-CPUCHLNUSA-N	-1	0	336.347	4.120	40	10		EICBRM
O=C([O-])c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21	ZINC000001515165	563391313	/nfs/dbraw/zinc/39/13/13/563391313.db2.gz	SLZXXWORYGGPLE-VBQJREDUSA-N	-1	0	336.347	4.120	40	10		EICBRM
O=C([O-])c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)cc1	ZINC000006971451	564129652	/nfs/dbraw/zinc/12/96/52/564129652.db2.gz	OXUFAGYAPAHUMX-ZQIUZPCESA-N	-1	0	336.347	4.120	40	10		EICBRM
COc1ccc(OC)c(NN=C2C(=O)Nc3ccccc3C2=O)c1	ZINC000102816858	219233420	/nfs/dbraw/zinc/23/34/20/219233420.db2.gz	QALMVSCMQMHCML-VXPUYCOJSA-N	-1	0	325.324	4.079	40	10		EICBRM
CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cccnc1	ZINC000013625686	563704238	/nfs/dbraw/zinc/70/42/38/563704238.db2.gz	PXRZLHCQBPSZAN-QGOAFFKASA-N	-1	0	338.386	4.110	40	10		EICBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3)C2=O)cc1	ZINC000033304725	563973331	/nfs/dbraw/zinc/97/33/31/563973331.db2.gz	RPUMZHQMCVJAIJ-BRMXFPEKSA-N	-1	0	346.386	4.312	40	10		EICBRM
O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1-c1ccc(F)cc1	ZINC000408947572	564008227	/nfs/dbraw/zinc/00/82/27/564008227.db2.gz	NZBMCLBPLANHKQ-UHFFFAOYSA-N	-1	0	327.330	4.440	40	10		EICBRM
CCCCOC(=O)c1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1	ZINC000070462708	564063641	/nfs/dbraw/zinc/06/36/41/564063641.db2.gz	LLGVVXRFWHRKNR-FMQUCBEESA-N	-1	0	342.351	4.463	40	10		EICBRM
CC1=CC(=NNc2cccc(C(=O)OC(C)C)c2)C=C(C(=O)[O-])C1=O	ZINC000070462723	215697889	/nfs/dbraw/zinc/69/78/89/215697889.db2.gz	SDWJCMRGUGFYRB-FMQUCBEESA-N	-1	0	342.351	4.379	40	10		EICBRM
O=C([O-])c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@H]21	ZINC000004859596	210302959	/nfs/dbraw/zinc/30/29/59/210302959.db2.gz	PGPYRHJVANSWEO-DCGLDWPTSA-N	-1	0	336.347	4.120	40	10		EICBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2C=CC[C@@H]21	ZINC000409165997	257876284	/nfs/dbraw/zinc/87/62/84/257876284.db2.gz	BSNHEYIIRLUXNP-BWACUDIHSA-N	-1	0	336.347	4.120	40	10		EICBRM
[O-]c1c(O)ccc2cc3c4cc(Br)ccc4nc-3oc12	ZINC000000618213	563359940	/nfs/dbraw/zinc/35/99/40/563359940.db2.gz	FCQJIDKQZXICRE-UHFFFAOYSA-N	-1	0	330.137	4.260	40	10		EICBRM
CCOc1ccccc1N=C(C)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000112112119	564018184	/nfs/dbraw/zinc/01/81/84/564018184.db2.gz	IFCUIUFIFIWACZ-RGEXLXHISA-N	-1	0	335.407	4.194	40	10		EICBRM