smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2[O-])n1	ZINC000019799770	202021093	/nfs/dbraw/zinc/02/10/93/202021093.db2.gz	STROMGIFIYNBGS-LJQANCHMSA-N	-1	3	342.402	4.240	50	10		EICAHM
CC(C)C(=O)N[C@@H](c1ccco1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000092423	205401610	/nfs/dbraw/zinc/40/16/10/205401610.db2.gz	WVFMBPBMXPRWHY-OAHLLOKOSA-N	-1	3	344.798	4.048	50	10		EICAHM
CC(=O)N[C@@H](c1ccccc1Cl)c1c([O-])ccc2ccccc21	ZINC000000245381	563265775	/nfs/dbraw/zinc/26/57/75/563265775.db2.gz	VXXSIPYMJHBDJD-IBGZPJMESA-N	-1	3	325.795	4.424	50	10		EICAHM
Cc1ccc(Nc2ccc([O-])c3c2C(=O)c2ccccc2C3=O)cc1	ZINC000003873981	563490148	/nfs/dbraw/zinc/49/01/48/563490148.db2.gz	LJFWQNJLLOFIJK-UHFFFAOYSA-N	-1	3	329.355	4.220	50	10		EICAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccccn1	ZINC000102907250	564020937	/nfs/dbraw/zinc/02/09/37/564020937.db2.gz	QBBSAYXIDJBUOZ-WIYYLYMNSA-N	-1	3	343.386	4.030	50	10		EICAHM
Cc1cc(C)nc(N[C@H](c2ccco2)c2ccc3cccnc3c2[O-])n1	ZINC000001463139	564073123	/nfs/dbraw/zinc/07/31/23/564073123.db2.gz	ZRYQMCACGDOGEV-SFHVURJKSA-N	-1	3	346.390	4.142	50	10		EICAHM
Cc1cccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])n1	ZINC000019842989	202024162	/nfs/dbraw/zinc/02/41/62/202024162.db2.gz	JSLNGYONZXJHGQ-HXUWFJFHSA-N	-1	3	342.402	4.240	50	10		EICAHM
CCC[C@H]1N=C(c2ccc(OCC)cc2)C[C@@H](c2ccccc2[O-])N1	ZINC000004729431	201614478	/nfs/dbraw/zinc/61/44/78/201614478.db2.gz	NLERMTIZVJICSY-FPOVZHCZSA-N	-1	3	338.451	4.441	50	10		EICAHM
O=C(c1ccccc1)N1N=C(c2ccccc2[O-])C[C@@H]1c1ccccc1	ZINC000013124708	563689206	/nfs/dbraw/zinc/68/92/06/563689206.db2.gz	HQTNORLBPXYIDS-HXUWFJFHSA-N	-1	3	342.398	4.384	50	10		EICAHM
Cc1ccc([C@H]2CC(c3ccccc3[O-])=NN2C(=O)c2ccco2)cc1	ZINC000004942488	563993057	/nfs/dbraw/zinc/99/30/57/563993057.db2.gz	USFYBSWUKOXCMI-GOSISDBHSA-N	-1	3	346.386	4.285	50	10		EICAHM
Cc1ccc([C@@H]2CC(c3ccccc3[O-])=NN2C(=O)c2ccco2)cc1	ZINC000004942487	563993060	/nfs/dbraw/zinc/99/30/60/563993060.db2.gz	USFYBSWUKOXCMI-SFHVURJKSA-N	-1	3	346.386	4.285	50	10		EICAHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccnc3)c([O-])c2n1	ZINC000019799993	202022663	/nfs/dbraw/zinc/02/26/63/202022663.db2.gz	OFMIIQLTLSPRQI-IBGZPJMESA-N	-1	3	342.402	4.240	50	10		EICAHM
CSCC[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3[O-])=NN21	ZINC000020070563	202032084	/nfs/dbraw/zinc/03/20/84/202032084.db2.gz	FRPBVKHZXZXUAP-VQIMIIECSA-N	-1	3	340.448	4.015	50	10		EICAHM
CC[C@@H](NCc1c(C)noc1C)c1cc(Br)ccc1[O-]	ZINC000092329033	203079113	/nfs/dbraw/zinc/07/91/13/203079113.db2.gz	QNTBFEUKAZHLNK-CQSZACIVSA-N	-1	3	339.233	4.000	50	10		EICAHM
O=C(c1ccccc1)N1N=C(c2ccccc2[O-])C[C@H]1c1ccccc1	ZINC000013124709	563689214	/nfs/dbraw/zinc/68/92/14/563689214.db2.gz	HQTNORLBPXYIDS-FQEVSTJZSA-N	-1	3	342.398	4.384	50	10		EICAHM
[O-]c1ccc(Br)cc1CNCc1ccccc1Cl	ZINC000040477072	563923115	/nfs/dbraw/zinc/92/31/15/563923115.db2.gz	ZNEQUURDSZJINC-UHFFFAOYSA-N	-1	3	326.621	4.098	50	10		EICAHM
CCCC(=O)N[C@@H](c1ccc(C)cc1)c1ccc2cccnc2c1[O-]	ZINC000000102661	563984101	/nfs/dbraw/zinc/98/41/01/563984101.db2.gz	YLHAGZFGLRYNET-IBGZPJMESA-N	-1	3	334.419	4.255	50	10		EICAHM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cccc(C)c1	ZINC000100980256	564017160	/nfs/dbraw/zinc/01/71/60/564017160.db2.gz	CBLOQKHGVSSTBY-BOPFTXTBSA-N	-1	3	325.799	4.367	50	10		EICAHM
CC(C)(C)c1ccc2c(c1)C(=O)c1c([O-])c3ccccc3c(O)c1C2=O	ZINC000075284153	564081594	/nfs/dbraw/zinc/08/15/94/564081594.db2.gz	NXHUPOXIQJUYOV-UHFFFAOYSA-N	-1	3	346.382	4.324	50	10		EICAHM
CC(C)(C)c1ccc2c(c1)C(=O)c1c(O)c3ccccc3c([O-])c1C2=O	ZINC000075284153	564081595	/nfs/dbraw/zinc/08/15/95/564081595.db2.gz	NXHUPOXIQJUYOV-UHFFFAOYSA-N	-1	3	346.382	4.324	50	10		EICAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccnc3)c([O-])c2n1	ZINC000019799995	202021756	/nfs/dbraw/zinc/02/17/56/202021756.db2.gz	OFMIIQLTLSPRQI-LJQANCHMSA-N	-1	3	342.402	4.240	50	10		EICAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccncc1	ZINC000102907243	204055083	/nfs/dbraw/zinc/05/50/83/204055083.db2.gz	PFAGYMBTGNNLCN-WIYYLYMNSA-N	-1	3	343.386	4.030	50	10		EICAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccco1	ZINC000102907263	206417958	/nfs/dbraw/zinc/41/79/58/206417958.db2.gz	SFZXNFZLZIAUPV-OXQOHEQNSA-N	-1	3	332.359	4.228	50	10		EICAHM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)c(C)c1	ZINC000000189696	563255954	/nfs/dbraw/zinc/25/59/54/563255954.db2.gz	MECMFNMYRLUUAD-UHFFFAOYSA-N	-1	3	341.432	4.271	50	10		EICAHM
CC(=O)N1N=C(c2ccc3ccccc3c2[O-])C[C@H]1c1ccccc1	ZINC000000541891	563344206	/nfs/dbraw/zinc/34/42/06/563344206.db2.gz	GPUOZDCQOFBPIR-FQEVSTJZSA-N	-1	3	330.387	4.243	50	10		EICAHM
CCCCCc1c([O-])n2c3ccccc3c(-c3ccccc3)cn2c1=O	ZINC000002038936	563419053	/nfs/dbraw/zinc/41/90/53/563419053.db2.gz	KATBVKFXGKGUFE-GOSISDBHSA-N	-1	3	346.430	4.376	50	10	in-man	EICAHM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1cccc(Cl)c1	ZINC000008741491	563638830	/nfs/dbraw/zinc/63/88/30/563638830.db2.gz	ODDXHLLFCMFKSX-AUWJEWJLSA-N	-1	3	332.812	4.071	50	10		EICAHM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(F)cc1	ZINC000013575901	563702581	/nfs/dbraw/zinc/70/25/81/563702581.db2.gz	NFANMZMVXGDSLD-YBEGLDIGSA-N	-1	3	329.762	4.198	50	10		EICAHM
O=C(c1cccs1)N1N=C(c2ccccc2[O-])C[C@H]1c1ccco1	ZINC000011692685	563991073	/nfs/dbraw/zinc/99/10/73/563991073.db2.gz	IQGWRHCCSNMNJV-AWEZNQCLSA-N	-1	3	338.388	4.038	50	10		EICAHM
O=C(c1ccco1)N1N=C(c2ccccc2[O-])C[C@H]1c1cccs1	ZINC000004942495	563993142	/nfs/dbraw/zinc/99/31/42/563993142.db2.gz	KONTWVNJNFSLAV-AWEZNQCLSA-N	-1	3	338.388	4.038	50	10		EICAHM
CCCC(=O)N[C@H](c1ccco1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000092418	563996565	/nfs/dbraw/zinc/99/65/65/563996565.db2.gz	NULFGCQPRNHAOM-INIZCTEOSA-N	-1	3	344.798	4.193	50	10		EICAHM
CC1(C)Oc2ccccc2[C@@H]2CC(c3cc(Cl)ccc3[O-])=NN21	ZINC000006721849	564096390	/nfs/dbraw/zinc/09/63/90/564096390.db2.gz	AMKAQXHHPNEWTJ-HNNXBMFYSA-N	-1	3	328.799	4.325	50	10		EICAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccccn1	ZINC000010215187	564175124	/nfs/dbraw/zinc/17/51/24/564175124.db2.gz	QBBSAYXIDJBUOZ-RXVVDRJESA-N	-1	3	343.386	4.030	50	10		EICAHM
Cc1c(C)c2cc(Cl)c([O-])c(CN3CCC[C@H](C)C3)c2oc1=O	ZINC000020292566	202036641	/nfs/dbraw/zinc/03/66/41/202036641.db2.gz	CSECEVUEOJVQDB-JTQLQIEISA-N	-1	3	335.831	4.001	50	10		EICAHM
CC(=O)N[C@@H](c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000087266	201432014	/nfs/dbraw/zinc/43/20/14/201432014.db2.gz	NTUQQFGFRQITLD-KRWDZBQOSA-N	-1	3	340.810	4.128	50	10		EICAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1cccnc1	ZINC000102907244	204054867	/nfs/dbraw/zinc/05/48/67/204054867.db2.gz	DHHNXUPNZRIEQV-GHTZIAJQSA-N	-1	3	343.386	4.030	50	10		EICAHM
Cc1ccc([C@H](NC(=O)C(C)C)c2ccc3cccnc3c2[O-])cc1	ZINC000000102672	563226567	/nfs/dbraw/zinc/22/65/67/563226567.db2.gz	IEJCDDPVSNZCAS-SFHVURJKSA-N	-1	3	334.419	4.110	50	10		EICAHM
CC(=O)N[C@@H](c1ccc(Cl)cc1)c1c([O-])ccc2ccc(O)cc21	ZINC000000308457	563279176	/nfs/dbraw/zinc/27/91/76/563279176.db2.gz	NJFAWVRYGNIMCP-IBGZPJMESA-N	-1	3	341.794	4.130	50	10		EICAHM
CN(Cc1ccccc1)Cc1c([O-])ccc2c3ccccc3c(=O)oc21	ZINC000013425402	563698434	/nfs/dbraw/zinc/69/84/34/563698434.db2.gz	DHRWAOWKWHHROR-UHFFFAOYSA-N	-1	3	345.398	4.284	50	10		EICAHM
O=C(c1cccs1)N1N=C(c2ccccc2[O-])C[C@@H]1c1ccco1	ZINC000011692684	563991083	/nfs/dbraw/zinc/99/10/83/563991083.db2.gz	IQGWRHCCSNMNJV-CQSZACIVSA-N	-1	3	338.388	4.038	50	10		EICAHM
CC(C)c1cc([N-]S(=O)(=O)c2ccccc2N)cc(C(C)C)c1O	ZINC000000354329	563996894	/nfs/dbraw/zinc/99/68/94/563996894.db2.gz	VUNDUCCMWIKHDF-UHFFFAOYSA-N	-1	3	348.468	4.022	50	10		EICAHM
Cc1ccnc(N[C@H](c2cccnc2)c2ccc3cccnc3c2[O-])c1	ZINC000019842966	202024280	/nfs/dbraw/zinc/02/42/80/202024280.db2.gz	HXTSBGQMUPMIAB-LJQANCHMSA-N	-1	3	342.402	4.240	50	10		EICAHM
Cc1c2ccc([O-])c(CN(C)C)c2oc(=O)c1-c1ccc(Cl)cc1	ZINC000004353827	201359926	/nfs/dbraw/zinc/35/99/26/201359926.db2.gz	ASHFBCZFYZJHDV-UHFFFAOYSA-N	-1	3	343.810	4.189	50	10		EICAHM
O=C(c1ccsc1)c1coc2ccc([O-])c(CN3CCCC3)c12	ZINC000218446118	241322896	/nfs/dbraw/zinc/32/28/96/241322896.db2.gz	KFXMATBNCANAQE-UHFFFAOYSA-N	-1	3	327.405	4.027	50	10		EICAHM
CC[C@H](NCc1c(C)noc1C)c1cc(Br)ccc1[O-]	ZINC000092329031	203079312	/nfs/dbraw/zinc/07/93/12/203079312.db2.gz	QNTBFEUKAZHLNK-AWEZNQCLSA-N	-1	3	339.233	4.000	50	10		EICAHM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Cl)cc1	ZINC000100041011	563981375	/nfs/dbraw/zinc/98/13/75/563981375.db2.gz	SLINMSRSTKXUCI-GZTJUZNOSA-N	-1	3	325.799	4.367	50	10		EICAHM
COCCCC(=O)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000048354186	564031353	/nfs/dbraw/zinc/03/13/53/564031353.db2.gz	FCDNZRUVEHFQRM-JOCHJYFZSA-N	-1	3	349.430	4.178	50	10		EICAHM
O=[N+]([O-])c1cccc(F)c1CN(Cc1ccccc1[O-])C1CCCC1	ZINC000089813914	564113970	/nfs/dbraw/zinc/11/39/70/564113970.db2.gz	BITGYEXFLBHYCF-UHFFFAOYSA-N	-1	3	344.386	4.384	50	10		EICAHM
[O-]c1c([C@@H](c2ccccn2)N2CCCC2)cc(Cl)c2cccnc12	ZINC000019879777	202025187	/nfs/dbraw/zinc/02/51/87/202025187.db2.gz	QLPZJTVSRZEZHY-SFHVURJKSA-N	-1	3	339.826	4.174	50	10		EICAHM
CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2CN(CC)CC	ZINC000019911595	202026879	/nfs/dbraw/zinc/02/68/79/202026879.db2.gz	UHNOHCDBXDQTMX-UHFFFAOYSA-N	-1	3	337.847	4.336	50	10	aggregator	EICAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1cccnc1	ZINC000102907246	204055282	/nfs/dbraw/zinc/05/52/82/204055282.db2.gz	DHHNXUPNZRIEQV-WIYYLYMNSA-N	-1	3	343.386	4.030	50	10		EICAHM
[O-]c1c(Cl)cc(Cl)cc1[C@H]1NCCc2c3ccccc3[nH]c21	ZINC000019301132	563918182	/nfs/dbraw/zinc/91/81/82/563918182.db2.gz	VGVLRBZRXUPPKU-OAHLLOKOSA-N	-1	3	333.218	4.415	50	10		EICAHM
CCCCC(=O)N[C@H](c1ccccc1)c1ccc2cccnc2c1[O-]	ZINC000003894213	564060298	/nfs/dbraw/zinc/06/02/98/564060298.db2.gz	CVIIJBCJKCLLCV-LJQANCHMSA-N	-1	3	334.419	4.336	50	10	biogenic	EICAHM
Cc1ccc([C@@H]2C[C@H](c3cc(Cl)ccc3[O-])Nc3ncnn32)cc1	ZINC000000389020	564082655	/nfs/dbraw/zinc/08/26/55/564082655.db2.gz	RLXRSACLVHZKNS-CVEARBPZSA-N	-1	3	340.814	4.092	50	10		EICAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccco1	ZINC000010215202	564175134	/nfs/dbraw/zinc/17/51/34/564175134.db2.gz	SFZXNFZLZIAUPV-JXFKEZNVSA-N	-1	3	332.359	4.228	50	10		EICAHM
CCCc1cc(=O)oc2c1cc(Cl)c([O-])c2CN1CCC[C@H](C)C1	ZINC000020331329	202037659	/nfs/dbraw/zinc/03/76/59/202037659.db2.gz	KMDXXIVEURXOTI-LBPRGKRZSA-N	-1	3	349.858	4.336	50	10		EICAHM
CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1[O-]	ZINC000000102704	563226509	/nfs/dbraw/zinc/22/65/09/563226509.db2.gz	GKQPLNYKUJGLNH-KRWDZBQOSA-N	-1	3	340.810	4.209	50	10	biogenic	EICAHM
CCN(CC)c1ccc(/C=C/c2noc(-c3ccccc3[O-])n2)cc1	ZINC000004747537	563973082	/nfs/dbraw/zinc/97/30/82/563973082.db2.gz	FJDFGXLEVJBWLE-SDNWHVSQSA-N	-1	3	335.407	4.459	50	10		EICAHM
CC(=O)N1N=C(c2ccccc2[O-])C[C@H]1c1ccc(Cl)cc1Cl	ZINC000000088666	563221451	/nfs/dbraw/zinc/22/14/51/563221451.db2.gz	KMCTZTBEJZNCJM-INIZCTEOSA-N	-1	3	349.217	4.397	50	10		EICAHM
COc1ccc([C@@H](NC(=O)C(C)C)c2c([O-])ccc3ccccc32)cc1	ZINC000000446325	563317393	/nfs/dbraw/zinc/31/73/93/563317393.db2.gz	PVVXKVZDFCYHSG-OAQYLSRUSA-N	-1	3	349.430	4.416	50	10		EICAHM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cccc(C)c1	ZINC000015134087	563778768	/nfs/dbraw/zinc/77/87/68/563778768.db2.gz	GLTYDQNKYCMVJK-BOPFTXTBSA-N	-1	3	325.799	4.367	50	10		EICAHM
CCC(=O)N[C@H](c1ccccc1Cl)c1ccc2cccnc2c1[O-]	ZINC000000446233	563917474	/nfs/dbraw/zinc/91/74/74/563917474.db2.gz	AWCFIQDSTVKBNT-GOSISDBHSA-N	-1	3	340.810	4.209	50	10	biogenic	EICAHM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(F)cc1	ZINC000101128735	564019242	/nfs/dbraw/zinc/01/92/42/564019242.db2.gz	NFANMZMVXGDSLD-MHWRWJLKSA-N	-1	3	329.762	4.198	50	10		EICAHM
COc1ccc(-c2cnc(NCc3cc(Cl)ccc3[O-])n2C)cc1	ZINC000000819124	564035256	/nfs/dbraw/zinc/03/52/56/564035256.db2.gz	WTHVYJHYJIUIKA-UHFFFAOYSA-N	-1	3	343.814	4.067	50	10		EICAHM
Cc1c(Cl)c(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000000065416	209397105	/nfs/dbraw/zinc/39/71/05/209397105.db2.gz	MLAWOIICTZPZQT-UHFFFAOYSA-N	-1	3	339.844	4.278	50	10		EICAHM
[O-]c1ccccc1CN(Cc1nnc(C2CCC2)o1)C1CCCCC1	ZINC000079099968	217193010	/nfs/dbraw/zinc/19/30/10/217193010.db2.gz	QWDPHHYQBKYASN-UHFFFAOYSA-N	-1	3	341.455	4.378	50	10		EICAHM
O=C(c1ccco1)N1N=C(c2ccccc2[O-])C[C@@H]1c1cccs1	ZINC000004942496	210334907	/nfs/dbraw/zinc/33/49/07/210334907.db2.gz	KONTWVNJNFSLAV-CQSZACIVSA-N	-1	3	338.388	4.038	50	10		EICAHM
CCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1c([O-])ccc2ccccc21	ZINC000000446481	563317360	/nfs/dbraw/zinc/31/73/60/563317360.db2.gz	WIIVTVUNBAATAJ-QFIPXVFZSA-N	-1	3	348.446	4.227	50	10		EICAHM
Cn1c2ccccc2nc1[C@H]1CCCN1Cc1c([O-])cccc1Cl	ZINC000097032710	563966834	/nfs/dbraw/zinc/96/68/34/563966834.db2.gz	NPFXBDKQBYXHSC-QGZVFWFLSA-N	-1	3	341.842	4.269	50	10		EICAHM
CC(C)C(=O)N[C@H](c1ccco1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000092428	563976582	/nfs/dbraw/zinc/97/65/82/563976582.db2.gz	WVFMBPBMXPRWHY-HNNXBMFYSA-N	-1	3	344.798	4.048	50	10		EICAHM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(F)cc1	ZINC000101125459	564019255	/nfs/dbraw/zinc/01/92/55/564019255.db2.gz	JQMZZFFTJMEUBE-MHWRWJLKSA-N	-1	3	329.762	4.198	50	10		EICAHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc(Cl)c1C	ZINC000044826973	564027187	/nfs/dbraw/zinc/02/71/87/564027187.db2.gz	GNSSVOWXFRLORV-PTNGSMBKSA-N	-1	3	325.799	4.367	50	10		EICAHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(C)c(Cl)c1	ZINC000044965562	564027928	/nfs/dbraw/zinc/02/79/28/564027928.db2.gz	JPJYTFWNWVTDND-WJDWOHSUSA-N	-1	3	325.799	4.367	50	10		EICAHM
CCCN(Cc1ccccc1O)C(=O)c1cc([O-])c2ccccc2c1	ZINC000225402405	564046426	/nfs/dbraw/zinc/04/64/26/564046426.db2.gz	YNWVKUPTXTYDSB-UHFFFAOYSA-N	-1	3	335.403	4.303	50	10		EICAHM
Cn1c(-c2ccc(F)cc2)cnc1NCc1cc(Cl)ccc1[O-]	ZINC000004678624	210244492	/nfs/dbraw/zinc/24/44/92/210244492.db2.gz	CPKOWZWXHYXOQG-UHFFFAOYSA-N	-1	3	331.778	4.197	50	10		EICAHM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cccc(C)c1	ZINC000004180242	210140300	/nfs/dbraw/zinc/14/03/00/210140300.db2.gz	CBLOQKHGVSSTBY-GZTJUZNOSA-N	-1	3	325.799	4.367	50	10		EICAHM
Cc1cc([N-]S(=O)(=O)c2ccccc2)c(C(C)C)c(Cl)c1O	ZINC000000065431	209396919	/nfs/dbraw/zinc/39/69/19/209396919.db2.gz	FPMUWLLQWSYUSS-UHFFFAOYSA-N	-1	3	339.844	4.278	50	10		EICAHM
CC[C@@H]1CCCCN1Cc1c([O-])c(Cl)cc2c(C)cc(=O)oc21	ZINC000019789539	212067022	/nfs/dbraw/zinc/06/70/22/212067022.db2.gz	KOBRSAVGLLIUTE-GFCCVEGCSA-N	-1	3	335.831	4.225	50	10		EICAHM
CCCCCc1c([O-])n2c3ccccc3c(-c3ccccc3)cn2c1=O	ZINC000001680067	563402693	/nfs/dbraw/zinc/40/26/93/563402693.db2.gz	KATBVKFXGKGUFE-SFHVURJKSA-N	-1	3	346.430	4.376	50	10	in-man	EICAHM
Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1c([O-])cccc1Cl	ZINC000097032709	563966815	/nfs/dbraw/zinc/96/68/15/563966815.db2.gz	NPFXBDKQBYXHSC-KRWDZBQOSA-N	-1	3	341.842	4.269	50	10		EICAHM
COc1cccc(C2=N[C@](C)(C(C)C)N[C@H](c3ccccc3[O-])C2)c1	ZINC000004729828	210262648	/nfs/dbraw/zinc/26/26/48/210262648.db2.gz	IWBQKXZUVIHQAZ-FPOVZHCZSA-N	-1	3	338.451	4.297	50	10		EICAHM
Cc1c(C)c2cc(Cl)c([O-])c(CN3CCC[C@@H](C)C3)c2oc1=O	ZINC000020292563	212117268	/nfs/dbraw/zinc/11/72/68/212117268.db2.gz	CSECEVUEOJVQDB-SNVBAGLBSA-N	-1	3	335.831	4.001	50	10		EICAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccco1	ZINC000010215205	211153502	/nfs/dbraw/zinc/15/35/02/211153502.db2.gz	SFZXNFZLZIAUPV-UZLBHIALSA-N	-1	3	332.359	4.228	50	10		EICAHM
CCn1c2ccccc2nc1NCc1cc(Br)ccc1[O-]	ZINC000000285493	563272666	/nfs/dbraw/zinc/27/26/66/563272666.db2.gz	GUVFPFMXZFAHAM-UHFFFAOYSA-N	-1	3	346.228	4.136	50	10		EICAHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(F)c(Cl)c1	ZINC000102570082	564020357	/nfs/dbraw/zinc/02/03/57/564020357.db2.gz	JFAMDWHLVBGZNA-GXDHUFHOSA-N	-1	3	329.762	4.198	50	10		EICAHM
[O-]c1ccc(Br)cc1CNc1cnc2ccccc2c1	ZINC000000520443	564020970	/nfs/dbraw/zinc/02/09/70/564020970.db2.gz	NUURZVATAGGICJ-UHFFFAOYSA-N	-1	3	329.197	4.315	50	10		EICAHM
Cc1ccccc1NC1=NC(=O)C(=Cc2cc(Cl)ccc2[O-])S1	ZINC000059459375	564050603	/nfs/dbraw/zinc/05/06/03/564050603.db2.gz	LRVFXXSYRILKNM-DHDCSXOGSA-N	-1	3	344.823	4.436	50	10		EICAHM
Cc1ccc([C@H]2C[C@@H](c3cc(Cl)ccc3[O-])Nc3ncnn32)cc1	ZINC000000389017	564082661	/nfs/dbraw/zinc/08/26/61/564082661.db2.gz	RLXRSACLVHZKNS-JKSUJKDBSA-N	-1	3	340.814	4.092	50	10		EICAHM
COc1cc(NCc2cc(Cl)ccc2[O-])c(OC)cc1Cl	ZINC000020555866	212146649	/nfs/dbraw/zinc/14/66/49/212146649.db2.gz	UEEOTGCBSOHMMA-UHFFFAOYSA-N	-1	3	328.195	4.328	50	10		EICAHM
Cc1cccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2[O-])n1	ZINC000019799769	212070289	/nfs/dbraw/zinc/07/02/89/212070289.db2.gz	STROMGIFIYNBGS-IBGZPJMESA-N	-1	3	342.402	4.240	50	10		EICAHM
Cc1cccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2[O-])n1	ZINC000019794066	212069404	/nfs/dbraw/zinc/06/94/04/212069404.db2.gz	KRJJOESORRXLIL-HXUWFJFHSA-N	-1	3	342.402	4.240	50	10		EICAHM
CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cccc(F)c1	ZINC000012410897	211372401	/nfs/dbraw/zinc/37/24/01/211372401.db2.gz	GTSUSDIPOSBYOE-ATVHPVEESA-N	-1	3	341.361	4.464	50	10		EICAHM
CCC(CC)C(=O)N1N=C(c2ccccc2[O-])C[C@H]1c1ccco1	ZINC000011692701	211235782	/nfs/dbraw/zinc/23/57/82/211235782.db2.gz	MLMTWWKOUMWZTQ-INIZCTEOSA-N	-1	3	326.396	4.099	50	10		EICAHM
O=c1[nH]c(C(Cl)=Cc2cc(O)c([O-])c(Cl)c2)nc2ccccc12	ZINC000008777737	211005170	/nfs/dbraw/zinc/00/51/70/211005170.db2.gz	AIQBTYHXRMRCGB-WDZFZDKYSA-N	-1	3	349.173	4.137	50	10		EICAHM
CC(=O)N[C@H](c1ccc(Cl)cc1)c1c([O-])ccc2ccc(O)cc21	ZINC000000308459	563279151	/nfs/dbraw/zinc/27/91/51/563279151.db2.gz	NJFAWVRYGNIMCP-LJQANCHMSA-N	-1	3	341.794	4.130	50	10		EICAHM
CC(=O)N1N=C(c2ccc3ccccc3c2[O-])C[C@@H]1c1ccccc1	ZINC000000541890	563344232	/nfs/dbraw/zinc/34/42/32/563344232.db2.gz	GPUOZDCQOFBPIR-HXUWFJFHSA-N	-1	3	330.387	4.243	50	10		EICAHM
[O-]c1ccccc1CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000071750741	563965141	/nfs/dbraw/zinc/96/51/41/563965141.db2.gz	HYPAWVIUIHXCOK-QGZVFWFLSA-N	-1	3	338.234	4.273	50	10		EICAHM
CCCC(=O)N[C@H](c1ccc(C)cc1)c1ccc2cccnc2c1[O-]	ZINC000000102666	563984118	/nfs/dbraw/zinc/98/41/18/563984118.db2.gz	YLHAGZFGLRYNET-LJQANCHMSA-N	-1	3	334.419	4.255	50	10		EICAHM
CCCCC(=O)N[C@@H](c1ccccc1)c1ccc2cccnc2c1[O-]	ZINC000003894212	210085242	/nfs/dbraw/zinc/08/52/42/210085242.db2.gz	CVIIJBCJKCLLCV-IBGZPJMESA-N	-1	3	334.419	4.336	50	10	biogenic	EICAHM
CCC(=O)N[C@H](c1ccc(OC)cc1)c1c([O-])ccc2ccccc21	ZINC000000446256	563317291	/nfs/dbraw/zinc/31/72/91/563317291.db2.gz	ULEVRJUAJNPONO-OAQYLSRUSA-N	-1	3	335.403	4.170	50	10		EICAHM
CN(Cc1ccccc1)Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3	ZINC000002598879	563443914	/nfs/dbraw/zinc/44/39/14/563443914.db2.gz	QUDOKQDBCOZAKD-UHFFFAOYSA-N	-1	3	349.430	4.009	50	10		EICAHM
CCC(=O)N[C@@H](c1ccccc1Cl)c1ccc2cccnc2c1[O-]	ZINC000000446232	563917507	/nfs/dbraw/zinc/91/75/07/563917507.db2.gz	AWCFIQDSTVKBNT-SFHVURJKSA-N	-1	3	340.810	4.209	50	10	biogenic	EICAHM
CCC[C@H]1N=C(c2ccc(OCC)cc2)C[C@H](c2ccccc2[O-])N1	ZINC000004729434	210262834	/nfs/dbraw/zinc/26/28/34/210262834.db2.gz	NLERMTIZVJICSY-CTNGQTDRSA-N	-1	3	338.451	4.441	50	10		EICAHM
CC1=NN(c2ccccc2)C(=O)/C1=C/c1c([O-])ccc2ccccc21	ZINC000103693454	219319910	/nfs/dbraw/zinc/31/99/10/219319910.db2.gz	QCNQZKOJEAOELK-QGOAFFKASA-N	-1	3	328.371	4.352	50	10		EICAHM
C[C@@H]1CCCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4)coc32)C1	ZINC000019793077	212067546	/nfs/dbraw/zinc/06/75/46/212067546.db2.gz	HFRMWZYFFSQPDE-OAHLLOKOSA-N	-1	3	349.430	4.398	50	10	biogenic	EICAHM
[O-]c1ccc2ccccc2c1CNc1ccc(Br)cn1	ZINC000018323701	563852354	/nfs/dbraw/zinc/85/23/54/563852354.db2.gz	BVFCCUUBMKTVQX-UHFFFAOYSA-N	-1	3	329.197	4.315	50	10		EICAHM
CC(C)CC(=O)N[C@H](c1cccs1)c1ccc2cccnc2c1[O-]	ZINC000000092403	563916904	/nfs/dbraw/zinc/91/69/04/563916904.db2.gz	MDLWLVWPYPTEPB-SFHVURJKSA-N	-1	3	340.448	4.254	50	10		EICAHM
COCCCC(=O)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000048354185	564031349	/nfs/dbraw/zinc/03/13/49/564031349.db2.gz	FCDNZRUVEHFQRM-QFIPXVFZSA-N	-1	3	349.430	4.178	50	10		EICAHM
CC1(C)Oc2ccccc2[C@H]2CC(c3cc(Cl)ccc3[O-])=NN21	ZINC000006721850	564096420	/nfs/dbraw/zinc/09/64/20/564096420.db2.gz	AMKAQXHHPNEWTJ-OAHLLOKOSA-N	-1	3	328.799	4.325	50	10		EICAHM
Cc1cccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2[O-])n1	ZINC000021729068	212246336	/nfs/dbraw/zinc/24/63/36/212246336.db2.gz	LFZRZBCBGYZINQ-LJQANCHMSA-N	-1	3	342.402	4.240	50	10		EICAHM
CCc1cc(=O)oc2c1cc(Cl)c([O-])c2CN1CCCC[C@H]1CC	ZINC000020323933	212119820	/nfs/dbraw/zinc/11/98/20/212119820.db2.gz	IGAOLRKTALBPMO-CYBMUJFWSA-N	-1	3	349.858	4.479	50	10		EICAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccccn1	ZINC000010215190	211153228	/nfs/dbraw/zinc/15/32/28/211153228.db2.gz	QBBSAYXIDJBUOZ-NQIIRXRSSA-N	-1	3	343.386	4.030	50	10		EICAHM
CCC(=O)N[C@@H](c1ccccc1OC)c1c([O-])ccc2ccccc21	ZINC000000245279	563265815	/nfs/dbraw/zinc/26/58/15/563265815.db2.gz	KROQTWALYYTXRW-NRFANRHFSA-N	-1	3	335.403	4.170	50	10		EICAHM
CC1=NN(c2ccccc2)C(=O)/C1=C\c1c([O-])ccc2ccccc21	ZINC000016872842	563824773	/nfs/dbraw/zinc/82/47/73/563824773.db2.gz	QCNQZKOJEAOELK-AQTBWJFISA-N	-1	3	328.371	4.352	50	10		EICAHM
[O-]c1c([C@H](Nc2ccccn2)c2ccccc2O)ccc2cccnc21	ZINC000000038230	563968595	/nfs/dbraw/zinc/96/85/95/563968595.db2.gz	WDUVBQZZERJUFX-HXUWFJFHSA-N	-1	3	343.386	4.243	50	10		EICAHM
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000000077823	563974530	/nfs/dbraw/zinc/97/45/30/563974530.db2.gz	GCKSENNZWDTDLF-UHFFFAOYSA-N	-1	3	339.844	4.278	50	10		EICAHM
CC(=O)N[C@H](c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000087270	563976239	/nfs/dbraw/zinc/97/62/39/563976239.db2.gz	NTUQQFGFRQITLD-QGZVFWFLSA-N	-1	3	340.810	4.128	50	10		EICAHM
CCOC(=O)c1[n-]c2ccc(F)cc2c1/N=N/N1CCCC[C@H]1C	ZINC000000524268	564021195	/nfs/dbraw/zinc/02/11/95/564021195.db2.gz	SHIYFCPHHSSVMK-PQOIGDABSA-N	-1	3	332.379	4.357	50	10		EICAHM
CSCC[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3[O-])=NN21	ZINC000006721579	564096347	/nfs/dbraw/zinc/09/63/47/564096347.db2.gz	FRPBVKHZXZXUAP-QFBILLFUSA-N	-1	3	340.448	4.015	50	10		EICAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccncc1	ZINC000006721619	564096379	/nfs/dbraw/zinc/09/63/79/564096379.db2.gz	PFAGYMBTGNNLCN-RXVVDRJESA-N	-1	3	343.386	4.030	50	10		EICAHM
COc1cccc(C2=N[C@@](C)(C(C)C)N[C@H](c3ccccc3[O-])C2)c1	ZINC000004729829	210262097	/nfs/dbraw/zinc/26/20/97/210262097.db2.gz	IWBQKXZUVIHQAZ-PZJWPPBQSA-N	-1	3	338.451	4.297	50	10		EICAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccco1	ZINC000102907260	219240574	/nfs/dbraw/zinc/24/05/74/219240574.db2.gz	SFZXNFZLZIAUPV-OXJNMPFZSA-N	-1	3	332.359	4.228	50	10		EICAHM
Cc1oc2c(ccc([O-])c2CN2CCCCC2)c(=O)c1-c1ccccc1	ZINC000020412032	212126226	/nfs/dbraw/zinc/12/62/26/212126226.db2.gz	CNZJZAABODREQK-UHFFFAOYSA-N	-1	3	349.430	4.460	50	10	biogenic	EICAHM
Cc1ccnc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2[O-])c1	ZINC000019842965	212075413	/nfs/dbraw/zinc/07/54/13/212075413.db2.gz	HXTSBGQMUPMIAB-IBGZPJMESA-N	-1	3	342.402	4.240	50	10		EICAHM
O=c1c2ccc([O-])c(CN3CCCCC3)c2occ1-c1ccccc1	ZINC000019771101	212063088	/nfs/dbraw/zinc/06/30/88/212063088.db2.gz	WRKNCGBLJWHTCH-UHFFFAOYSA-N	-1	3	335.403	4.152	50	10	biogenic,in-vitro	EICAHM
Cc1ccc(NC2=NC(=O)C(=Cc3ccccc3[O-])S2)cc1Cl	ZINC000000446773	563317776	/nfs/dbraw/zinc/31/77/76/563317776.db2.gz	LSLYYWQDTPGBAA-NVNXTCNLSA-N	-1	3	344.823	4.436	50	10		EICAHM
COc1ccc(C2=NN[C@H](c3ccc(Cl)cc3Cl)C2)c([O-])c1	ZINC000000457225	563324827	/nfs/dbraw/zinc/32/48/27/563324827.db2.gz	IYOMIFKUOWMIJS-AWEZNQCLSA-N	-1	3	337.206	4.146	50	10		EICAHM
O=C1/C(=C\c2cc(Cl)ccc2[O-])SC(=S)N1c1ccccc1	ZINC000013943544	563732037	/nfs/dbraw/zinc/73/20/37/563732037.db2.gz	PFQJCHWKBKNLBH-NTEUORMPSA-N	-1	3	347.848	4.451	50	10		EICAHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc(C(F)(F)F)c1	ZINC000100148687	563984014	/nfs/dbraw/zinc/98/40/14/563984014.db2.gz	JOOQNNLVTJBLDE-LFIBNONCSA-N	-1	3	345.324	4.424	50	10		EICAHM
CCOC(=O)c1[n-]c2ccccc2c1/N=N/N1CCc2ccccc2C1	ZINC000000500250	564018968	/nfs/dbraw/zinc/01/89/68/564018968.db2.gz	PBRJESPLEPGNCN-GHVJWSGMSA-N	-1	3	348.406	4.402	50	10		EICAHM
C[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000104005636	564023657	/nfs/dbraw/zinc/02/36/57/564023657.db2.gz	XRESISWWGXCJAW-YMTYPPQLSA-N	-1	3	331.415	4.407	50	10		EICAHM
Cc1cc(C)nc(N[C@@H](c2ccco2)c2ccc3cccnc3c2[O-])n1	ZINC000001463140	564073138	/nfs/dbraw/zinc/07/31/38/564073138.db2.gz	ZRYQMCACGDOGEV-GOSISDBHSA-N	-1	3	346.390	4.142	50	10		EICAHM
COc1ccc([C@@H]2CC(c3cc(Cl)ccc3[O-])=NN2)cc1Cl	ZINC000006590476	564092469	/nfs/dbraw/zinc/09/24/69/564092469.db2.gz	NMADWZFOOCIDOJ-ZDUSSCGKSA-N	-1	3	337.206	4.146	50	10		EICAHM
CCC[C@@H]1N=C(c2ccc(OCC)cc2)C[C@H](c2ccccc2[O-])N1	ZINC000004648109	210237207	/nfs/dbraw/zinc/23/72/07/210237207.db2.gz	NLERMTIZVJICSY-TZIWHRDSSA-N	-1	3	338.451	4.441	50	10		EICAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccccn1	ZINC000102907248	219240988	/nfs/dbraw/zinc/24/09/88/219240988.db2.gz	QBBSAYXIDJBUOZ-GHTZIAJQSA-N	-1	3	343.386	4.030	50	10		EICAHM
Cc1oc2c(ccc([O-])c2CN2CCCC2)c(=O)c1-c1ccccc1	ZINC000020358169	212122406	/nfs/dbraw/zinc/12/24/06/212122406.db2.gz	NDIPHDMPQHERIW-UHFFFAOYSA-N	-1	3	335.403	4.070	50	10	biogenic	EICAHM
C[C@H](Nc1ccc(Br)cn1)c1cc(Cl)ccc1[O-]	ZINC000020290369	212116848	/nfs/dbraw/zinc/11/68/48/212116848.db2.gz	DMNOHUCRAOCAAX-QMMMGPOBSA-N	-1	3	327.609	4.376	50	10		EICAHM
O=C(c1cccs1)c1coc2ccc([O-])c(CN3CCCCC3)c12	ZINC000019830690	212072991	/nfs/dbraw/zinc/07/29/91/212072991.db2.gz	PEDQWDLNCXEXQQ-UHFFFAOYSA-N	-1	3	341.432	4.417	50	10		EICAHM
[O-]c1ccccc1C1N(Cc2ccccc2)CCN1Cc1ccccc1	ZINC000019300103	212013485	/nfs/dbraw/zinc/01/34/85/212013485.db2.gz	WZYDUILDTXZIHH-UHFFFAOYSA-N	-1	3	344.458	4.409	50	10		EICAHM
CCC(=O)N[C@@H](c1ccc(OC)cc1)c1c([O-])ccc2ccccc21	ZINC000002870038	563458713	/nfs/dbraw/zinc/45/87/13/563458713.db2.gz	ULEVRJUAJNPONO-NRFANRHFSA-N	-1	3	335.403	4.170	50	10		EICAHM
CC(=O)c1cc(F)cc(CN(Cc2ccc(F)cc2)C2CC2)c1[O-]	ZINC000072312038	563920245	/nfs/dbraw/zinc/92/02/45/563920245.db2.gz	JFJMBFPIORMKNW-UHFFFAOYSA-N	-1	3	331.362	4.038	50	10		EICAHM
CCOC(=O)c1[n-]c2ccc(F)cc2c1/N=N/N1CCC(C)CC1	ZINC000000550438	564022891	/nfs/dbraw/zinc/02/28/91/564022891.db2.gz	HVQIOPMBYWPLIJ-QZQOTICOSA-N	-1	3	332.379	4.214	50	10		EICAHM
COc1cccc(-c2cnc(NCc3cc(Cl)ccc3[O-])n2C)c1	ZINC000000819130	564035212	/nfs/dbraw/zinc/03/52/12/564035212.db2.gz	XTGDNRAKCFTLPG-UHFFFAOYSA-N	-1	3	343.814	4.067	50	10	aggregator	EICAHM
O=c1[nH]c(-c2sc3ccccc3c2[O-])nc2cc(Cl)ccc12	ZINC000006585717	564092244	/nfs/dbraw/zinc/09/22/44/564092244.db2.gz	WSJZEJZHHBKDKH-UHFFFAOYSA-N	-1	3	328.780	4.164	50	10		EICAHM
CCCc1cc(=O)oc2c1cc(Cl)c([O-])c2CN1CCCCC1	ZINC000020267580	212115846	/nfs/dbraw/zinc/11/58/46/212115846.db2.gz	HODUTTCWKJIMSS-UHFFFAOYSA-N	-1	3	335.831	4.090	50	10		EICAHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc(C(F)(F)F)c1	ZINC000013395691	211554889	/nfs/dbraw/zinc/55/48/89/211554889.db2.gz	JOOQNNLVTJBLDE-WJDWOHSUSA-N	-1	3	345.324	4.424	50	10		EICAHM
CC(C)CC(=O)N[C@@H](c1ccccc1)c1ccc2cccnc2c1[O-]	ZINC000000092382	563223159	/nfs/dbraw/zinc/22/31/59/563223159.db2.gz	UECHRCZFFNFJCG-IBGZPJMESA-N	-1	3	334.419	4.192	50	10		EICAHM
[O-]c1c([C@@H](Nc2ccccn2)c2ccccc2O)ccc2cccnc21	ZINC000000038229	563968587	/nfs/dbraw/zinc/96/85/87/563968587.db2.gz	WDUVBQZZERJUFX-FQEVSTJZSA-N	-1	3	343.386	4.243	50	10		EICAHM
COc1ccc([C@H]2CC(c3cc(Cl)ccc3[O-])=NN2)cc1Cl	ZINC000006590477	564092490	/nfs/dbraw/zinc/09/24/90/564092490.db2.gz	NMADWZFOOCIDOJ-CYBMUJFWSA-N	-1	3	337.206	4.146	50	10		EICAHM
O=C(c1ccsc1)c1coc2ccc([O-])c(CN3CCCCC3)c12	ZINC000218544755	241331049	/nfs/dbraw/zinc/33/10/49/241331049.db2.gz	INKQJQQONHSHNL-UHFFFAOYSA-N	-1	3	341.432	4.417	50	10		EICAHM
Cc1ccc([C@@H](NC(=O)C(C)C)c2ccc3cccnc3c2[O-])cc1	ZINC000000102677	563226488	/nfs/dbraw/zinc/22/64/88/563226488.db2.gz	IEJCDDPVSNZCAS-GOSISDBHSA-N	-1	3	334.419	4.110	50	10		EICAHM
COc1ccc(Cl)cc1NCc1cc(Br)ccc1[O-]	ZINC000044836261	563926709	/nfs/dbraw/zinc/92/67/09/563926709.db2.gz	XIKYCJYRKNAKKC-UHFFFAOYSA-N	-1	3	342.620	4.429	50	10		EICAHM
[O-]c1c([C@H](Nc2ncccn2)c2ccc(F)cc2)ccc2cccnc21	ZINC000000086086	563975881	/nfs/dbraw/zinc/97/58/81/563975881.db2.gz	LYEBONJOTDUHOF-QGZVFWFLSA-N	-1	3	346.365	4.071	50	10		EICAHM
Cc1ccc([C@H]2C[C@H](c3cc(Cl)ccc3[O-])Nc3ncnn32)cc1	ZINC000000389019	564082673	/nfs/dbraw/zinc/08/26/73/564082673.db2.gz	RLXRSACLVHZKNS-HZPDHXFCSA-N	-1	3	340.814	4.092	50	10		EICAHM
COc1ccc(NCc2cc(Br)ccc2[O-])cc1Cl	ZINC000044836258	213649842	/nfs/dbraw/zinc/64/98/42/213649842.db2.gz	BGISTXZTWXDJEK-UHFFFAOYSA-N	-1	3	342.620	4.429	50	10		EICAHM
CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2CN1CCCC1	ZINC000020289870	212116629	/nfs/dbraw/zinc/11/66/29/212116629.db2.gz	BVATZHAEXPQYGE-UHFFFAOYSA-N	-1	3	335.831	4.090	50	10	aggregator	EICAHM
Cc1ccnc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2[O-])c1	ZINC000019851401	212076825	/nfs/dbraw/zinc/07/68/25/212076825.db2.gz	IOQCYUYXGUSASM-HXUWFJFHSA-N	-1	3	342.402	4.240	50	10		EICAHM
Cc1ccc([C@@H]2C[C@@H](c3cc(Cl)ccc3[O-])Nc3ncnn32)cc1	ZINC000000389018	564082658	/nfs/dbraw/zinc/08/26/58/564082658.db2.gz	RLXRSACLVHZKNS-HOTGVXAUSA-N	-1	3	340.814	4.092	50	10		EICAHM
Cc1cccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2[O-])n1	ZINC000021729066	212246645	/nfs/dbraw/zinc/24/66/45/212246645.db2.gz	LFZRZBCBGYZINQ-IBGZPJMESA-N	-1	3	342.402	4.240	50	10		EICAHM
COc1cc(OC)c(NCc2cc(Cl)ccc2[O-])cc1Cl	ZINC000020553036	212146496	/nfs/dbraw/zinc/14/64/96/212146496.db2.gz	IAFHWCPRAOUMRE-UHFFFAOYSA-N	-1	3	328.195	4.328	50	10		EICAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccccn3)c([O-])c2n1	ZINC000019843044	212075473	/nfs/dbraw/zinc/07/54/73/212075473.db2.gz	OZUXQEGCXXIRJP-FQEVSTJZSA-N	-1	3	342.402	4.240	50	10		EICAHM
Cc1ccnc(N[C@H](c2ccncc2)c2ccc3cccnc3c2[O-])c1	ZINC000019800004	212070328	/nfs/dbraw/zinc/07/03/28/212070328.db2.gz	TVPUVEWTDLBXFX-LJQANCHMSA-N	-1	3	342.402	4.240	50	10		EICAHM
COc1ccc([C@H](NC(=O)C(C)C)c2c([O-])ccc3ccccc32)cc1	ZINC000000446324	563317299	/nfs/dbraw/zinc/31/72/99/563317299.db2.gz	PVVXKVZDFCYHSG-NRFANRHFSA-N	-1	3	349.430	4.416	50	10		EICAHM
Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(O)cc2)c1C	ZINC000000472474	563332591	/nfs/dbraw/zinc/33/25/91/563332591.db2.gz	FVMKEDCKEZVROI-UHFFFAOYSA-N	-1	3	333.453	4.107	50	10		EICAHM
[O-]c1ccc(Br)cc1CNc1cc(F)c(F)cc1F	ZINC000000732345	563363045	/nfs/dbraw/zinc/36/30/45/563363045.db2.gz	HGDIZVHJXWPBPZ-UHFFFAOYSA-N	-1	3	332.119	4.184	50	10		EICAHM
CN(Cc1nc2ccccc2s1)Cc1c([O-])ccc2ccncc21	ZINC000012972940	563679627	/nfs/dbraw/zinc/67/96/27/563679627.db2.gz	QGHYFTIPCZPOHH-UHFFFAOYSA-N	-1	3	335.432	4.182	50	10		EICAHM
COc1ccc([C@@H]2CC(c3ccc4ccccc4c3[O-])=NN2)cc1OC	ZINC000000120749	563986770	/nfs/dbraw/zinc/98/67/70/563986770.db2.gz	VKFDUDUPVUIVOZ-KRWDZBQOSA-N	-1	3	348.402	4.001	50	10		EICAHM
Cc1cc(=O)oc2c1cc(Cl)c([O-])c2CN(C)Cc1ccccc1	ZINC000005697450	564019275	/nfs/dbraw/zinc/01/92/75/564019275.db2.gz	GIUNPICXIIGCAZ-UHFFFAOYSA-N	-1	3	343.810	4.092	50	10	biogenic	EICAHM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cccc(Cl)c1	ZINC000095470930	564141250	/nfs/dbraw/zinc/14/12/50/564141250.db2.gz	DURUUDVALCSBHT-BOPFTXTBSA-N	-1	3	325.799	4.367	50	10		EICAHM
COc1cccc(C2=N[C@](C)(C(C)C)N[C@@H](c3ccccc3[O-])C2)c1	ZINC000004729832	210262916	/nfs/dbraw/zinc/26/29/16/210262916.db2.gz	IWBQKXZUVIHQAZ-CTNGQTDRSA-N	-1	3	338.451	4.297	50	10		EICAHM
Cc1ccnc(N[C@H](c2ccccn2)c2ccc3cccnc3c2[O-])c1	ZINC000019851403	212076338	/nfs/dbraw/zinc/07/63/38/212076338.db2.gz	IOQCYUYXGUSASM-FQEVSTJZSA-N	-1	3	342.402	4.240	50	10		EICAHM
C[C@H]1CCCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4)coc32)C1	ZINC000019793078	212067719	/nfs/dbraw/zinc/06/77/19/212067719.db2.gz	HFRMWZYFFSQPDE-HNNXBMFYSA-N	-1	3	349.430	4.398	50	10	biogenic	EICAHM
CCCC(=O)N[C@@H](c1ccco1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000000092414	563996557	/nfs/dbraw/zinc/99/65/57/563996557.db2.gz	NULFGCQPRNHAOM-MRXNPFEDSA-N	-1	3	344.798	4.193	50	10		EICAHM
[O-]c1ccc(Br)cc1CNc1cccc2cccnc21	ZINC000000463693	564012687	/nfs/dbraw/zinc/01/26/87/564012687.db2.gz	HRODNMNKFBNWQE-UHFFFAOYSA-N	-1	3	329.197	4.315	50	10		EICAHM
CCC(=O)c1c(Cc2ccccc2)oc2ccc([O-])c(CN(C)C)c21	ZINC000075279829	564081473	/nfs/dbraw/zinc/08/14/73/564081473.db2.gz	SPNNYADLTQNQIV-UHFFFAOYSA-N	-1	3	337.419	4.384	50	10		EICAHM
CCC[C@@H]1N=C(c2ccc(OCC)cc2)C[C@@H](c2ccccc2[O-])N1	ZINC000004729433	210263322	/nfs/dbraw/zinc/26/33/22/210263322.db2.gz	NLERMTIZVJICSY-PZJWPPBQSA-N	-1	3	338.451	4.441	50	10		EICAHM
CC(C)(C)c1cnc(SCc2nc(C(F)(F)F)cc(=O)[n-]2)s1	ZINC000095441043	218385125	/nfs/dbraw/zinc/38/51/25/218385125.db2.gz	ZBSUFBFQQBPOPT-UHFFFAOYSA-N	-1	3	349.403	4.247	50	10		EICAHM
CCCC(=O)N[C@@H](c1cccs1)c1ccc2cccnc2c1[O-]	ZINC000000087166	563996550	/nfs/dbraw/zinc/99/65/50/563996550.db2.gz	HQMZBXRQASJEMD-QGZVFWFLSA-N	-1	3	326.421	4.008	50	10		EICAHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cc(Cl)ccc1C	ZINC000044826970	564027218	/nfs/dbraw/zinc/02/72/18/564027218.db2.gz	XXEXBCXZLGLNSN-LFIBNONCSA-N	-1	3	325.799	4.367	50	10		EICAHM
O=[N+]([O-])c1ccc2c(c1)CCCN2Cc1c([O-])ccc2ccccc21	ZINC000084595043	564068937	/nfs/dbraw/zinc/06/89/37/564068937.db2.gz	XGRVINJISGRKBP-UHFFFAOYSA-N	-1	3	334.375	4.406	50	10		EICAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccncc1	ZINC000006721620	564096351	/nfs/dbraw/zinc/09/63/51/564096351.db2.gz	PFAGYMBTGNNLCN-NQIIRXRSSA-N	-1	3	343.386	4.030	50	10		EICAHM
CN(C)Cc1c2c(ccc1[O-])occ2C(=O)c1ccc(Cl)cc1	ZINC000004705282	210255246	/nfs/dbraw/zinc/25/52/46/210255246.db2.gz	MDJXCRQVZHPYTB-UHFFFAOYSA-N	-1	3	329.783	4.084	50	10		EICAHM
C[C@@H]1C[C@H]1C(=O)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000036489935	213099362	/nfs/dbraw/zinc/09/93/62/213099362.db2.gz	XRESISWWGXCJAW-CFCCAZDESA-N	-1	3	331.415	4.407	50	10		EICAHM
CCC(CC)C(=O)N1N=C(c2ccccc2[O-])C[C@@H]1c1ccco1	ZINC000011692700	211235131	/nfs/dbraw/zinc/23/51/31/211235131.db2.gz	MLMTWWKOUMWZTQ-MRXNPFEDSA-N	-1	3	326.396	4.099	50	10		EICAHM
CCCC(=O)N[C@H](c1cccs1)c1ccc2cccnc2c1[O-]	ZINC000002470668	564003948	/nfs/dbraw/zinc/00/39/48/564003948.db2.gz	HQMZBXRQASJEMD-KRWDZBQOSA-N	-1	3	326.421	4.008	50	10		EICAHM
CCOC(=O)c1[n-]c2ccc(F)cc2c1/N=N/N1CCC[C@H](C)C1	ZINC000002310497	564132204	/nfs/dbraw/zinc/13/22/04/564132204.db2.gz	HNRCFHAUJIZLSQ-BMQZVHBQSA-N	-1	3	332.379	4.214	50	10		EICAHM
CCc1cc(=O)oc2c1cc(Cl)c([O-])c2CN1CCCC[C@@H]1CC	ZINC000020323939	212119864	/nfs/dbraw/zinc/11/98/64/212119864.db2.gz	IGAOLRKTALBPMO-ZDUSSCGKSA-N	-1	3	349.858	4.479	50	10		EICAHM
CC(C)CC(=O)N[C@H](c1ccccc1)c1ccc2cccnc2c1[O-]	ZINC000000092389	563223139	/nfs/dbraw/zinc/22/31/39/563223139.db2.gz	UECHRCZFFNFJCG-LJQANCHMSA-N	-1	3	334.419	4.192	50	10		EICAHM
CCC(=O)N[C@H](c1ccccc1OC)c1c([O-])ccc2ccccc21	ZINC000000245286	563265812	/nfs/dbraw/zinc/26/58/12/563265812.db2.gz	KROQTWALYYTXRW-OAQYLSRUSA-N	-1	3	335.403	4.170	50	10		EICAHM
Cc1ccc(NC2=NC(=O)C(=Cc3cc(Cl)ccc3[O-])S2)cc1	ZINC000059145661	564050469	/nfs/dbraw/zinc/05/04/69/564050469.db2.gz	ZCZCKDJRPANEPE-DHDCSXOGSA-N	-1	3	344.823	4.436	50	10		EICAHM
Cc1ccsc1CN(Cc1ccccn1)Cc1cccc(F)c1[O-]	ZINC000055371526	214313735	/nfs/dbraw/zinc/31/37/35/214313735.db2.gz	FPHVFUHHVNNCHJ-UHFFFAOYSA-N	-1	3	342.439	4.499	50	10		EICAHM
Cc1ccc(-c2cnc(NCc3cc(Cl)ccc3[O-])n2C)cc1	ZINC000004678528	210245023	/nfs/dbraw/zinc/24/50/23/210245023.db2.gz	QHUMBAIAOAJUDJ-UHFFFAOYSA-N	-1	3	327.815	4.367	50	10		EICAHM
C[C@@H](Nc1ccc(Br)cn1)c1cc(Cl)ccc1[O-]	ZINC000020290367	212117197	/nfs/dbraw/zinc/11/71/97/212117197.db2.gz	DMNOHUCRAOCAAX-MRVPVSSYSA-N	-1	3	327.609	4.376	50	10		EICAHM
CCc1c(C)c2cc(Cl)c([O-])c(CN3CCCCC3)c2oc1=O	ZINC000020293035	212116658	/nfs/dbraw/zinc/11/66/58/212116658.db2.gz	OUOQGRXLGNBUQE-UHFFFAOYSA-N	-1	3	335.831	4.009	50	10	aggregator	EICAHM
O=c1oc2c(cc(Cl)c([O-])c2CN2CCCCC2)c2c1CCCC2	ZINC000019789543	212066360	/nfs/dbraw/zinc/06/63/60/212066360.db2.gz	YFYMWFNBNWLLTC-UHFFFAOYSA-N	-1	3	347.842	4.017	50	10		EICAHM
CCC(=O)N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1[O-]	ZINC000000102711	563226599	/nfs/dbraw/zinc/22/65/99/563226599.db2.gz	GKQPLNYKUJGLNH-QGZVFWFLSA-N	-1	3	340.810	4.209	50	10	biogenic	EICAHM
CC(=O)N[C@H](c1ccccc1Cl)c1c([O-])ccc2ccccc21	ZINC000000245385	563265778	/nfs/dbraw/zinc/26/57/78/563265778.db2.gz	VXXSIPYMJHBDJD-LJQANCHMSA-N	-1	3	325.795	4.424	50	10		EICAHM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1cccc(Cl)c1	ZINC000002364480	563430524	/nfs/dbraw/zinc/43/05/24/563430524.db2.gz	ODDXHLLFCMFKSX-VGOFMYFVSA-N	-1	3	332.812	4.071	50	10		EICAHM
[O-]c1ccc(-c2nc3ccccc3s2)cc1CN1CCSCC1	ZINC000014984428	563770402	/nfs/dbraw/zinc/77/04/02/563770402.db2.gz	NLHDSZUWAFXDHF-UHFFFAOYSA-N	-1	3	342.489	4.218	50	10		EICAHM
CC(C)CC(=O)N[C@@H](c1cccs1)c1ccc2cccnc2c1[O-]	ZINC000000092406	563916892	/nfs/dbraw/zinc/91/68/92/563916892.db2.gz	MDLWLVWPYPTEPB-GOSISDBHSA-N	-1	3	340.448	4.254	50	10		EICAHM
CCOC(=O)c1[n-]c2ccc(F)cc2c1/N=N/N1CCCC[C@@H]1C	ZINC000000524270	564021197	/nfs/dbraw/zinc/02/11/97/564021197.db2.gz	SHIYFCPHHSSVMK-BMQZVHBQSA-N	-1	3	332.379	4.357	50	10		EICAHM
Cc1ccc(NC2=NC(=O)C(=Cc3cc(Cl)ccc3[O-])S2)cc1	ZINC000024830035	564034009	/nfs/dbraw/zinc/03/40/09/564034009.db2.gz	ZCZCKDJRPANEPE-OQLLNIDSSA-N	-1	3	344.823	4.436	50	10		EICAHM
CCOC(=O)c1[n-]c2ccc(F)cc2c1/N=N/N1CCC[C@@H](C)C1	ZINC000002310496	564132147	/nfs/dbraw/zinc/13/21/47/564132147.db2.gz	HNRCFHAUJIZLSQ-PQOIGDABSA-N	-1	3	332.379	4.214	50	10		EICAHM
O=C(c1coc2ccc([O-])c(CN3CCCC3)c12)c1ccc(F)cc1	ZINC000253405333	568422851	/nfs/dbraw/zinc/42/28/51/568422851.db2.gz	IGBMHCFUGVRRLD-UHFFFAOYSA-N	-1	3	339.366	4.104	50	10		EICAHM
Cc1ccccc1NC1=NC(=O)C(=Cc2cc(Cl)ccc2[O-])S1	ZINC000012598000	1055944399	/nfs/dbraw/zinc/94/43/99/1055944399.db2.gz	LRVFXXSYRILKNM-OQLLNIDSSA-N	-1	3	344.823	4.436	50	10		EICAHM
[O-]c1c([C@H](c2ccccn2)N2CCCC2)cc(Cl)c2cccnc12	ZINC000019879775	212078917	/nfs/dbraw/zinc/07/89/17/212078917.db2.gz	QLPZJTVSRZEZHY-GOSISDBHSA-N	-1	3	339.826	4.174	50	10		EICAHM
Cc1cccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2[O-])n1	ZINC000019794067	212068480	/nfs/dbraw/zinc/06/84/80/212068480.db2.gz	KRJJOESORRXLIL-FQEVSTJZSA-N	-1	3	342.402	4.240	50	10		EICAHM
CC1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4)coc32)CC1	ZINC000019770882	212063448	/nfs/dbraw/zinc/06/34/48/212063448.db2.gz	NENSQPHXVCCTKY-UHFFFAOYSA-N	-1	3	349.430	4.398	50	10		EICAHM
C[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000010910258	211194833	/nfs/dbraw/zinc/19/48/33/211194833.db2.gz	XRESISWWGXCJAW-IQVOZAENSA-N	-1	3	331.415	4.407	50	10		EICAHM
Cc1cc(CC(=O)Nc2ccccc2[O-])c(C)n1-c1ccc(C)cc1	ZINC000009112722	211040021	/nfs/dbraw/zinc/04/00/21/211040021.db2.gz	WMSQICRHSCVANV-UHFFFAOYSA-N	-1	3	334.419	4.289	50	10		EICAHM
O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1ccccc1[O-]	ZINC000075260688	564081319	/nfs/dbraw/zinc/08/13/19/564081319.db2.gz	AZBVPNCVBLHGEK-FLIHGVEMSA-N	-1	3	339.441	4.354	50	10		EICAHM
COc1cccc(C2=N[C@@](C)(C(C)C)N[C@@H](c3ccccc3[O-])C2)c1	ZINC000004729833	210262054	/nfs/dbraw/zinc/26/20/54/210262054.db2.gz	IWBQKXZUVIHQAZ-TZIWHRDSSA-N	-1	3	338.451	4.297	50	10		EICAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccncc1	ZINC000102907241	219240767	/nfs/dbraw/zinc/24/07/67/219240767.db2.gz	PFAGYMBTGNNLCN-GHTZIAJQSA-N	-1	3	343.386	4.030	50	10		EICAHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccn3)c([O-])c2n1	ZINC000019843042	212075496	/nfs/dbraw/zinc/07/54/96/212075496.db2.gz	OZUXQEGCXXIRJP-HXUWFJFHSA-N	-1	3	342.402	4.240	50	10		EICAHM
CC[C@H]1CCCCN1Cc1c([O-])c(Cl)cc2c(C)cc(=O)oc21	ZINC000019789541	212066396	/nfs/dbraw/zinc/06/63/96/212066396.db2.gz	KOBRSAVGLLIUTE-LBPRGKRZSA-N	-1	3	335.831	4.225	50	10		EICAHM
C[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000010910252	211195059	/nfs/dbraw/zinc/19/50/59/211195059.db2.gz	XRESISWWGXCJAW-IBZMOEQTSA-N	-1	3	331.415	4.407	50	10		EICAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1cccnc1	ZINC000006721621	210690258	/nfs/dbraw/zinc/69/02/58/210690258.db2.gz	DHHNXUPNZRIEQV-RXVVDRJESA-N	-1	3	343.386	4.030	50	10		EICAHM
O=C1/C(=C/C=C\c2ccccc2)SC(=S)N1c1ccccc1[O-]	ZINC000210988757	564053318	/nfs/dbraw/zinc/05/33/18/564053318.db2.gz	AZBVPNCVBLHGEK-AMHMVXRNSA-N	-1	3	339.441	4.354	50	10		EICAHM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)cc1C	ZINC000004660869	210240206	/nfs/dbraw/zinc/24/02/06/210240206.db2.gz	LSXVBXDJYQKTSO-UHFFFAOYSA-N	-1	3	341.432	4.271	50	10		EICAHM
CCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1c([O-])ccc2ccccc21	ZINC000000446482	209605848	/nfs/dbraw/zinc/60/58/48/209605848.db2.gz	WIIVTVUNBAATAJ-JOCHJYFZSA-N	-1	3	348.446	4.227	50	10		EICAHM
COc1cc(Cl)cc(/C=C2/SC(c3ccccc3)=NC2=O)c1[O-]	ZINC000000115738	209430933	/nfs/dbraw/zinc/43/09/33/209430933.db2.gz	GLHVXTUPIGWXRE-RIYZIHGNSA-N	-1	3	345.807	4.115	50	10		EICAHM
[O-]c1c([C@H](Nc2nccs2)c2ccccc2O)ccc2cccnc21	ZINC000000067169	209398824	/nfs/dbraw/zinc/39/88/24/209398824.db2.gz	VMIMNLFMPPMDIV-QGZVFWFLSA-N	-1	3	349.415	4.304	50	10		EICAHM
[O-]c1c([C@@H](Nc2nccs2)c2ccccc2O)ccc2cccnc21	ZINC000000067162	209398301	/nfs/dbraw/zinc/39/83/01/209398301.db2.gz	VMIMNLFMPPMDIV-KRWDZBQOSA-N	-1	3	349.415	4.304	50	10		EICAHM
CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2CN1CCCCC1	ZINC000020325800	212119675	/nfs/dbraw/zinc/11/96/75/212119675.db2.gz	MBHCOFCTLPLCLB-UHFFFAOYSA-N	-1	3	349.858	4.481	50	10		EICAHM
Cc1ccnc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2[O-])c1	ZINC000019800002	212069554	/nfs/dbraw/zinc/06/95/54/212069554.db2.gz	TVPUVEWTDLBXFX-IBGZPJMESA-N	-1	3	342.402	4.240	50	10		EICAHM
CC(=O)N1N=C(c2ccccc2[O-])C[C@@H]1c1ccc(Cl)cc1Cl	ZINC000000088663	563221413	/nfs/dbraw/zinc/22/14/13/563221413.db2.gz	KMCTZTBEJZNCJM-MRXNPFEDSA-N	-1	3	349.217	4.397	50	10		EICAHM
COc1ccc(C2=NN[C@@H](c3ccc(Cl)cc3Cl)C2)c([O-])c1	ZINC000000457224	563324885	/nfs/dbraw/zinc/32/48/85/563324885.db2.gz	IYOMIFKUOWMIJS-CQSZACIVSA-N	-1	3	337.206	4.146	50	10		EICAHM
[O-]c1ccc(Br)cc1CNc1ccc(F)c(F)c1F	ZINC000000732338	563363054	/nfs/dbraw/zinc/36/30/54/563363054.db2.gz	FICGRGQEJGOPGV-UHFFFAOYSA-N	-1	3	332.119	4.184	50	10		EICAHM
[O-]c1c(Cl)cc(Cl)cc1[C@@H]1NCCc2c3ccccc3[nH]c21	ZINC000019301131	563918152	/nfs/dbraw/zinc/91/81/52/563918152.db2.gz	VGVLRBZRXUPPKU-HNNXBMFYSA-N	-1	3	333.218	4.415	50	10		EICAHM
O=S(=O)([N-]c1ccc(O)cc1)c1ccc(C2CCCCC2)cc1	ZINC000041091092	563924222	/nfs/dbraw/zinc/92/42/22/563924222.db2.gz	CZMCSWPASMTJNL-UHFFFAOYSA-N	-1	3	331.437	4.241	50	10		EICAHM
[O-]c1ccccc1CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000071750740	563965094	/nfs/dbraw/zinc/96/50/94/563965094.db2.gz	HYPAWVIUIHXCOK-KRWDZBQOSA-N	-1	3	338.234	4.273	50	10		EICAHM
[O-]c1c([C@@H](Nc2ncccn2)c2ccc(F)cc2)ccc2cccnc21	ZINC000000086092	563975865	/nfs/dbraw/zinc/97/58/65/563975865.db2.gz	LYEBONJOTDUHOF-KRWDZBQOSA-N	-1	3	346.365	4.071	50	10		EICAHM
COc1ccc([C@H]2CC(c3ccc4ccccc4c3[O-])=NN2)cc1OC	ZINC000000120745	563986760	/nfs/dbraw/zinc/98/67/60/563986760.db2.gz	VKFDUDUPVUIVOZ-QGZVFWFLSA-N	-1	3	348.402	4.001	50	10		EICAHM
CCc1c(C)c2cc(Cl)c([O-])c(CN3CCC[C@@H](C)C3)c2oc1=O	ZINC000020362797	212122962	/nfs/dbraw/zinc/12/29/62/212122962.db2.gz	IOJVXSUWACTTBY-LLVKDONJSA-N	-1	3	349.858	4.255	50	10		EICAHM
CCc1c(C)c2cc(Cl)c([O-])c(CN3CCC[C@H](C)C3)c2oc1=O	ZINC000020362799	212122893	/nfs/dbraw/zinc/12/28/93/212122893.db2.gz	IOJVXSUWACTTBY-NSHDSACASA-N	-1	3	349.858	4.255	50	10		EICAHM
Cc1cccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])n1	ZINC000019842987	212074916	/nfs/dbraw/zinc/07/49/16/212074916.db2.gz	JSLNGYONZXJHGQ-FQEVSTJZSA-N	-1	3	342.402	4.240	50	10		EICAHM
CCOC(=O)c1[n-]c2ccccc2c1/N=N/N1CCCC(C)(C)C1	ZINC000005278020	564002299	/nfs/dbraw/zinc/00/22/99/564002299.db2.gz	MYSKRSWHUXVBEF-QZQOTICOSA-N	-1	3	328.416	4.465	50	10		EICAHM
CCOC(=O)c1c(C)oc2cc(Sc3ccccc3)c([O-])c(O)c21	ZINC000000478514	564013199	/nfs/dbraw/zinc/01/31/99/564013199.db2.gz	SNNGDCZBDXHPIL-UHFFFAOYSA-N	-1	3	344.388	4.480	50	10		EICAHM
O=C(c1coc2ccc([O-])c(CN3CCCCC3)c12)c1ccccc1	ZINC000253403688	564086971	/nfs/dbraw/zinc/08/69/71/564086971.db2.gz	HICUMWQCNKZANY-UHFFFAOYSA-N	-1	3	335.403	4.355	50	10		EICAHM
CSCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3[O-])=NN21	ZINC000006721580	564096353	/nfs/dbraw/zinc/09/63/53/564096353.db2.gz	FRPBVKHZXZXUAP-LPHOPBHVSA-N	-1	3	340.448	4.015	50	10		EICAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1cccnc1	ZINC000006721622	564096374	/nfs/dbraw/zinc/09/63/74/564096374.db2.gz	DHHNXUPNZRIEQV-NQIIRXRSSA-N	-1	3	343.386	4.030	50	10		EICAHM
COc1cccc([O-])c1CN(Cc1ccsc1)Cc1cccnc1	ZINC000055211260	214287931	/nfs/dbraw/zinc/28/79/31/214287931.db2.gz	LIVZXSJWBNCBJT-UHFFFAOYSA-N	-1	3	340.448	4.060	50	10		EICAHM
CCCc1cc(=O)oc2c1cc(Cl)c([O-])c2CN1CCC[C@@H](C)C1	ZINC000020331324	212119851	/nfs/dbraw/zinc/11/98/51/212119851.db2.gz	KMDXXIVEURXOTI-GFCCVEGCSA-N	-1	3	349.858	4.336	50	10		EICAHM
CSCC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3[O-])=NN21	ZINC000020070559	212099798	/nfs/dbraw/zinc/09/97/98/212099798.db2.gz	FRPBVKHZXZXUAP-APWZRJJASA-N	-1	3	340.448	4.015	50	10		EICAHM
COc1cc(Cl)cc(/C=C2\SC(c3ccccc3)=NC2=O)c1[O-]	ZINC000012418314	211375004	/nfs/dbraw/zinc/37/50/04/211375004.db2.gz	GLHVXTUPIGWXRE-ZSOIEALJSA-N	-1	3	345.807	4.115	50	10		EICAHM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Cl)cc1	ZINC000015134083	563778663	/nfs/dbraw/zinc/77/86/63/563778663.db2.gz	SLINMSRSTKXUCI-BOPFTXTBSA-N	-1	3	325.799	4.367	50	10		EICAHM