smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1CN(C)CCOc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1	ZINC000013603156	561721572	/nfs/dbraw/zinc/72/15/72/561721572.db2.gz	OXLXLTXSQKGWEV-UHFFFAOYSA-N	0	1	507.590	5.453	1	5		KKBFMN
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)C(C)=N1	ZINC000014087672	561736134	/nfs/dbraw/zinc/73/61/34/561736134.db2.gz	DMPUIQVQMKBKRW-DHUJRADRSA-N	0	1	634.733	7.588	1	5		KKBFMN
CCC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(Cc1ccccc1)Cc1ccc2ccccc2c1	ZINC000026483815	561792110	/nfs/dbraw/zinc/79/21/10/561792110.db2.gz	DXNZWTKABFCNFQ-PSXMRANNSA-N	0	1	648.760	7.978	1	5		KKBFMN
CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CCCc1ccc([N+](=O)[O-])cc1	ZINC000026982855	561831495	/nfs/dbraw/zinc/83/14/95/561831495.db2.gz	XYHRDQOAIUJLAB-XGJRVREISA-N	0	1	636.815	5.426	1	5		KKBFMN
CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CCCc1ccc([N+](=O)[O-])cc1	ZINC000026982855	561831497	/nfs/dbraw/zinc/83/14/97/561831497.db2.gz	XYHRDQOAIUJLAB-XGJRVREISA-N	0	1	636.815	5.426	1	5		KKBFMN
O=[N+]([O-])c1cccc(-c2c3ccc(cc4ccc([nH]4)c(-c4cccc([N+](=O)[O-])c4)c4ccc(cc5ccc2[nH]5)n4)n3)c1	ZINC000027519507	561863100	/nfs/dbraw/zinc/86/31/00/561863100.db2.gz	JGOYNYPZPJAGDM-UHFFFAOYSA-N	0	1	552.550	8.020	1	5		KKBFMN
O=[N+]([O-])c1cccc(-c2c3ccc(cc4ccc(n4)c(-c4cccc([N+](=O)[O-])c4)c4ccc(cc5ccc2[nH]5)[nH]4)n3)c1	ZINC000027519507	561863101	/nfs/dbraw/zinc/86/31/01/561863101.db2.gz	JGOYNYPZPJAGDM-UHFFFAOYSA-N	0	1	552.550	8.020	1	5		KKBFMN
COc1cc(/C=C/C(=O)OCCOCC[N@@H+](C)CCOCCOC(=O)c2c3ccccc3cc3ccccc32)cc(OC)c1OC	ZINC000028637372	561941579	/nfs/dbraw/zinc/94/15/79/561941579.db2.gz	YACYGGHYRFUARH-BUHFOSPRSA-N	0	1	631.722	5.397	1	5		KKBFMN
COc1ccc(-c2c3ccc(cc4ccc([nH]4)c(-c4ccc(OC)cc4)c4ccc(cc5ccc2[nH]5)n4)n3)cc1	ZINC000034302713	562038711	/nfs/dbraw/zinc/03/87/11/562038711.db2.gz	BLXCIFQHKILJEZ-UHFFFAOYSA-N	0	1	522.608	8.221	1	5		KKBFMN
CN(C)Cc1ccc(CSCCNc2cc(Oc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1	ZINC000036286856	562054659	/nfs/dbraw/zinc/05/46/59/562054659.db2.gz	LCSLDZZBWHBLFA-UHFFFAOYSA-N	0	1	517.520	5.203	1	5		KKBFMN
COc1cc(-c2c3ccc(cc4ccc([nH]4)c(-c4ccccc4)c4ccc(cc5ccc2[nH]5)n4)n3)cc(OC)c1OC	ZINC000044031913	562651659	/nfs/dbraw/zinc/65/16/59/562651659.db2.gz	YGKXVGYSJQYPSJ-UHFFFAOYSA-N	0	1	552.634	8.230	1	5		KKBFMN
CCc1c(=O)[nH]c(SCc2ccc([N+](=O)[O-])cc2)nc1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000044430338	562657493	/nfs/dbraw/zinc/65/74/93/562657493.db2.gz	ZEWLQOODLJVDAO-UHFFFAOYSA-N	0	1	517.451	6.161	1	5		KKBFMN
Cc1cc([N+](=O)[O-])ccc1N1CCN(CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1	ZINC000049605221	562665504	/nfs/dbraw/zinc/66/55/04/562665504.db2.gz	RFHQOQBFQHJWQF-UHFFFAOYSA-N	0	1	550.059	5.141	1	5		KKBFMN
C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(C)c5CCC(=O)OCCC)c(CCC(=O)OCCO)c4C)[C@]1(C)C3=CC=C(C(=O)OC)[C@@H]1C(=O)OC	ZINC000085540165	562753203	/nfs/dbraw/zinc/75/32/03/562753203.db2.gz	LHXFPSQJODNWEW-WEKDAAGDSA-N	0	1	790.914	6.758	1	5	in-man	KKBFMN
O=[N+]([O-])c1cc(C(F)(F)F)c(I)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl	ZINC000098081899	562805138	/nfs/dbraw/zinc/80/51/38/562805138.db2.gz	YONFVYUNYGNKPC-UHFFFAOYSA-N	0	1	556.544	5.937	1	5		KKBFMN
CCN(CC)C(=O)[C@H]1CCCN1Cc1c(Br)c2ccc(OC)cc2c2cc(OC)c(OC)cc21	ZINC000103216633	562817119	/nfs/dbraw/zinc/81/71/19/562817119.db2.gz	NBKQKDZYDCSVIK-HSZRJFAPSA-N	0	1	529.475	5.614	1	5		KKBFMN
CC[C@H]1C2=Cc3[nH]c4c(c3C)C(=O)C(C(=O)OC)=C4C3=NC(=Cc4[nH]c(c(C(C)=O)c4C)C=C([NH2+]2)[C@@H]1C)[C@@H](C)[C@@H]3CCC(=O)NCCS(=O)(=O)[O-]	ZINC000150600353	562847121	/nfs/dbraw/zinc/84/71/21/562847121.db2.gz	YHHUDOINZAAXPN-AFLFEJEXSA-N	0	1	717.845	5.556	1	5		KKBFMN
C[NH+](C)CCCNc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2cccc(Cl)c2)cc1[N+](=O)[O-]	ZINC000165219939	562849883	/nfs/dbraw/zinc/84/98/83/562849883.db2.gz	SLQMAACJVUBOLV-UHFFFAOYSA-N	0	1	849.882	8.962	1	5		KKBFMN
CN1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4n3Cc3ccc(Cl)cc3)cc2)CC1	ZINC000653874650	562916582	/nfs/dbraw/zinc/91/65/82/562916582.db2.gz	YONQDRYZSFWPNK-UHFFFAOYSA-N	0	1	503.990	5.255	1	5		KKBFMN
COc1ccc2c(OC)c1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)([O-])CC3	ZINC000238783856	717163759	/nfs/dbraw/zinc/16/37/59/717163759.db2.gz	LWPZIQXNFHRCNS-RVKSXVHOSA-N	0	1	668.787	7.184	1	5		KKBFMN
C/C=C1/C[N@+]2([O-])CC[C@@]34C[C@H]5[C@@H]6C[C@@H]7c8c(c9ccccc9n8C)C[C@H]([C@@H]6CO[C@@]5(C)O[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14)N7C	ZINC000255195051	717170946	/nfs/dbraw/zinc/17/09/46/717170946.db2.gz	ANAQCJWFHODQAQ-WPFPFEGGSA-N	0	1	676.858	5.558	1	5		KKBFMN
COc1ccc(CCN2[C@@H]3CC[C@H]2C[C@@H]3N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)c(OC)c2)cc1OC	ZINC000026144771	561767032	/nfs/dbraw/zinc/76/70/32/561767032.db2.gz	KQGTYMOGWVSLAQ-DMDYGQEQSA-N	0	1	561.635	5.124	1	5		KKBFMN
CC(=O)[C@@H]1Cc2c3oc4ccccc4c(=O)c3cc(O)c2[C@@H](O[C@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)O2)C1	ZINC000026292921	561780815	/nfs/dbraw/zinc/78/08/15/561780815.db2.gz	GHEYFRDFRMWXEI-QAYFKYKWSA-N	0	1	698.603	5.177	1	5		KKBFMN
CCOC(=O)C1=C(COCCN(Cc2ccccc2)Cc2ccc(Cl)c(Cl)c2)N=C(C)N(C(=O)OC)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000026478935	561791408	/nfs/dbraw/zinc/79/14/08/561791408.db2.gz	YLSZATVILXMDME-HKBQPEDESA-N	0	1	669.562	6.979	1	5		KKBFMN
CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CC)[C@@]1(C)C4=CCC(C(=O)OC)=C1C(=O)OC)c(C)c3CC	ZINC000028256900	561911599	/nfs/dbraw/zinc/91/15/99/561911599.db2.gz	ZUBNUJWKGLODPE-KXQOOQHDSA-N	0	1	618.778	7.592	1	5		KKBFMN
CCc1c(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)[C@@]1(C)C5=CCC(C(=O)OC)=C1C(=O)OC)c(C)c4CC)c(C)c3CC	ZINC000028256900	561911602	/nfs/dbraw/zinc/91/16/02/561911602.db2.gz	ZUBNUJWKGLODPE-KXQOOQHDSA-N	0	1	618.778	7.592	1	5		KKBFMN
CCCCCC(=O)CCCCCCCCCCCOC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC	ZINC000028231889	561909235	/nfs/dbraw/zinc/90/92/35/561909235.db2.gz	HIIKQTFNFSAFPI-SANMLTNESA-O	0	1	524.700	5.908	1	5		KKBFMN
Oc1cccc(-c2c3ccc(n3)c(-c3cccc(O)c3)c3ccc([nH]3)c(-c3cccc(O)c3)c3ccc(n3)c(-c3cccc(O)c3)c3ccc2[nH]3)c1	ZINC000029225125	562007991	/nfs/dbraw/zinc/00/79/91/562007991.db2.gz	XAEPFBXVLMACNN-UHFFFAOYSA-N	0	1	678.748	10.360	1	5		KKBFMN
CC(C)(C)OC(=O)CC[C@@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2ccc([N+](=O)[O-])c(F)c2F)cc1)C(=O)OC(C)(C)C	ZINC000029246767	562010762	/nfs/dbraw/zinc/01/07/62/562010762.db2.gz	ZPNUDZSOWXKKAU-JOCHJYFZSA-N	0	1	687.745	5.004	1	5		KKBFMN
COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1[NH2+]CCc3cc([O-])c4oc5c(ooc4c31)c(OC)cc1c5[C@H](C2)N(C)CC1	ZINC000042804349	562088716	/nfs/dbraw/zinc/08/87/16/562088716.db2.gz	JDYVOSPQSXHMKP-DQEYMECFSA-N	0	1	594.664	6.926	1	5		KKBFMN
CCOC(=O)C1=Cc2c3nc(cc4[nH]c(cc5[nH]c(cc6nc2[C@@]1(CC)[C@H]6CC)c(CC)c5CC)c(CC)c4CC)c(CC)c3CC	ZINC000058609449	562700993	/nfs/dbraw/zinc/70/09/93/562700993.db2.gz	KZRLWZDZXYKABK-JFZQCQCWSA-N	0	1	632.893	9.769	1	5		KKBFMN
O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	ZINC000059796509	562702360	/nfs/dbraw/zinc/70/23/60/562702360.db2.gz	NEKFFTDGRGZXKK-JYFHCDHNSA-N	0	1	592.496	5.554	3	5	aggregator	KKBFMN
CN1CCN(Cc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2)CC1	ZINC000064548794	562707939	/nfs/dbraw/zinc/70/79/39/562707939.db2.gz	MLRYKMPLYNACRR-UHFFFAOYSA-N	0	1	511.629	5.502	1	5		KKBFMN
CCCCn1c(=O)c2cc(OC)ccc2c2c(OC)c(C(O)(C(F)(F)F)C(F)(F)F)c3c(c21)OCO3	ZINC000071329077	562718778	/nfs/dbraw/zinc/71/87/78/562718778.db2.gz	WOFAKYZCGNOULJ-UHFFFAOYSA-N	0	1	521.410	5.013	1	5		KKBFMN
CCN1CCN(C[C@@H]2S[C@H](c3ccccc3[N+](=O)[O-])N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1	ZINC000082164803	562741238	/nfs/dbraw/zinc/74/12/38/562741238.db2.gz	MVSMBONLCYSHQL-AFPLUKJUSA-N	0	1	736.859	5.018	1	5		KKBFMN
CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c(Cl)c2)cc1NC(=O)c1ccc(CN2CCN(C)CC2)cc1	ZINC000096928313	562802830	/nfs/dbraw/zinc/80/28/30/562802830.db2.gz	LXSXCIYVAJUOHX-UHFFFAOYSA-N	0	1	570.021	5.038	1	5		KKBFMN
CCN(CC)C(=O)[C@@H]1CCCN1Cc1c(Br)c2ccc(OC)cc2c2cc(OC)c(OC)cc21	ZINC000103216630	562817110	/nfs/dbraw/zinc/81/71/10/562817110.db2.gz	NBKQKDZYDCSVIK-QHCPKHFHSA-N	0	1	529.475	5.614	1	5		KKBFMN
Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc([N+](=O)[O-])cc5)cc4)nc(N(C)C)n3)ccc12	ZINC000150584676	562845733	/nfs/dbraw/zinc/84/57/33/562845733.db2.gz	QAQWJCIKYXYNNX-PZSMLTKBSA-N	0	1	786.875	6.161	1	5		KKBFMN
C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1nn(CCOCCOCCNC(=S)Nc3ccc(-c4c5ccc([O-])cc5oc5cc(=O)ccc4-5)c(C(=O)[O-])c3)c3ccccc31)C2	ZINC000150590993	562846197	/nfs/dbraw/zinc/84/61/97/562846197.db2.gz	MYXOSHHXRWCJCA-HNJRQWSBSA-N	0	1	818.953	6.083	1	5		KKBFMN
C[NH+]1CCC(Nc2ccc(S(=O)(=O)[N-]C(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)OC5)CC4)cc3Oc3cccc(Br)c3)cc2[N+](=O)[O-])CC1	ZINC000165246683	562849931	/nfs/dbraw/zinc/84/99/31/562849931.db2.gz	BFQFFDMXXDDCOB-UHFFFAOYSA-N	0	1	908.316	8.203	1	5		KKBFMN
C[NH+]1CCC(Nc2ccc(S(=O)(=O)[N-]C(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)OC5)CC4)cc3Oc3ccccc3Cl)cc2[N+](=O)[O-])CC1	ZINC000165311487	562850118	/nfs/dbraw/zinc/85/01/18/562850118.db2.gz	INGVYUGKKHWQHN-UHFFFAOYSA-N	0	1	863.865	8.093	1	5		KKBFMN
CCc1c(C)c2cc3[nH]c(c(CC(=O)OC)c4nc(cc5nc(cc1[nH]2)[C@@]1(C)C5=CC=C(C(=O)OC)[C@H]1C(=O)OC)c(C)c4C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C	ZINC000169369327	562864701	/nfs/dbraw/zinc/86/47/01/562864701.db2.gz	TYACUJIUKCIULA-WMZZLGCFSA-N	0	1	780.875	6.080	1	5		KKBFMN
CCc1c(C)c2cc3[nH]c(c(CC(=O)OC)c4nc(cc5nc(cc1[nH]2)[C@]1(C)C5=CC=C(C(=O)OC)[C@H]1C(=O)OC)c(C)c4C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C	ZINC000253669666	562882707	/nfs/dbraw/zinc/88/27/07/562882707.db2.gz	TYACUJIUKCIULA-WHKVSQCWSA-N	0	1	780.875	6.080	1	5		KKBFMN
O=c1c(-c2ccc(OC(F)(F)F)cc2)coc2cc3occ(-c4ccc(OC(F)(F)F)cc4)c([O-])c-3c(=O)c12	ZINC000653882114	562916750	/nfs/dbraw/zinc/91/67/50/562916750.db2.gz	DXGSMCYNNNOXLE-UHFFFAOYSA-N	0	1	550.363	6.736	1	5		KKBFMN
O=c1c(-c2ccc(OC(F)(F)F)cc2)coc2cc3occ(-c4ccc(OC(F)(F)F)cc4)c(O)c-3c(=O)c12	ZINC000653882114	562916751	/nfs/dbraw/zinc/91/67/51/562916751.db2.gz	DXGSMCYNNNOXLE-UHFFFAOYSA-N	0	1	550.363	6.736	1	5		KKBFMN
COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N+]1(C)[O-])Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3	ZINC000085772792	717137037	/nfs/dbraw/zinc/13/70/37/717137037.db2.gz	XOKSQIGOCSEXEF-KRBQTJQLSA-N	0	1	638.761	7.175	1	5		KKBFMN
C[N+](C)(C)CCO[P@](=O)([O-])OC[C@@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@@H]1[C@@H]3CC[C@@H]3[C@@H]21	ZINC000231942960	717161617	/nfs/dbraw/zinc/16/16/17/717161617.db2.gz	ZUCLYSUAXIPVLL-CFYNXJRYSA-O	0	1	530.707	5.253	1	5		KKBFMN
COc1ccc2cc1Oc1cccc(c1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)[O-])Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3	ZINC000238771173	717163149	/nfs/dbraw/zinc/16/31/49/717163149.db2.gz	JHTVLFHDHNFVOZ-HMRFYLJESA-N	0	1	638.761	7.175	1	5		KKBFMN
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)C=N1	ZINC000026470943	561790542	/nfs/dbraw/zinc/79/05/42/561790542.db2.gz	RHSABWKNCZHQRT-UMSFTDKQSA-N	0	1	620.706	7.198	1	5		KKBFMN
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)C(N(C)C)=N1	ZINC000026484769	561792258	/nfs/dbraw/zinc/79/22/58/561792258.db2.gz	NIHLNHYHDNICJK-DHUJRADRSA-N	0	1	663.775	7.087	1	5		KKBFMN
CSC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(Cc1ccccc1)Cc1ccc2ccccc2c1	ZINC000026493436	561793746	/nfs/dbraw/zinc/79/37/46/561793746.db2.gz	ORBDPRSLUJGCIO-UUWRZZSWSA-N	0	1	666.800	7.888	1	5		KKBFMN
CSC1=NC(C)=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(Cc1ccccc1)Cc1ccc2ccccc2c1	ZINC000026493440	561793937	/nfs/dbraw/zinc/79/39/37/561793937.db2.gz	ORBDPRSLUJGCIO-UMSFTDKQSA-N	0	1	666.800	7.888	1	5		KKBFMN
CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000026986251	561832004	/nfs/dbraw/zinc/83/20/04/561832004.db2.gz	NCHZWYVOXHDWLS-KEPSJGTLSA-N	0	1	654.855	5.337	1	5		KKBFMN
CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000026986251	561832006	/nfs/dbraw/zinc/83/20/06/561832006.db2.gz	NCHZWYVOXHDWLS-KEPSJGTLSA-N	0	1	654.855	5.337	1	5		KKBFMN
CN(CCc1ccccn1)Cc1c(-c2ccc([N+](=O)[O-])cc2)cc2n1c(=O)c(-c1nc(C(C)(C)C)co1)cn2Cc1ccccc1F	ZINC000027323896	561853120	/nfs/dbraw/zinc/85/31/20/561853120.db2.gz	PUMDQJFTFGAXSD-UHFFFAOYSA-N	0	1	634.712	6.886	1	5		KKBFMN
COc1ccc([C@H](c2ccc(OC[C@@H](O)CN3CCN(Cc4ccccc4)CC3)cc2)c2cc3ccccc3c3ccccc32)cc1	ZINC000028529287	561933881	/nfs/dbraw/zinc/93/38/81/561933881.db2.gz	YAWPPIAPUSJCAG-OFGIETDASA-N	0	1	622.809	7.739	1	5		KKBFMN
CC(C)(C)OC(=O)CC[C@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2ccc([N+](=O)[O-])c(F)c2F)cc1)C(=O)OC(C)(C)C	ZINC000029246773	562010739	/nfs/dbraw/zinc/01/07/39/562010739.db2.gz	ZPNUDZSOWXKKAU-QFIPXVFZSA-N	0	1	687.745	5.004	1	5		KKBFMN
COc1cccc(-c2c3ccc(cc4ccc([nH]4)c(-c4cccc(OC)c4)c4ccc(cc5ccc2[nH]5)n4)n3)c1	ZINC000035986067	562046003	/nfs/dbraw/zinc/04/60/03/562046003.db2.gz	CJHZLOAXCHMJNU-UHFFFAOYSA-N	0	1	522.608	8.221	1	5		KKBFMN
COc1cccc(-c2c3ccc(cc4ccc(n4)c(-c4cccc(OC)c4)c4ccc(cc5ccc2[nH]5)[nH]4)n3)c1	ZINC000035986067	562046005	/nfs/dbraw/zinc/04/60/05/562046005.db2.gz	CJHZLOAXCHMJNU-UHFFFAOYSA-N	0	1	522.608	8.221	1	5		KKBFMN
COc1ccc(-c2c3ccc(cc4ccc([nH]4)c(-c4cc(OC)c(OC)c(OC)c4)c4ccc(cc5ccc2[nH]5)n4)n3)cc1	ZINC000044052609	562651834	/nfs/dbraw/zinc/65/18/34/562651834.db2.gz	CZNHMFIHXQYROI-UHFFFAOYSA-N	0	1	582.660	8.238	1	5		KKBFMN
C[N+](C)(C)CCOP(=O)([O-])OCCCCCCCCCCCCCCCCO[P@@](=O)([O-])OCC[N+](C)(C)C	ZINC000044431112	562657749	/nfs/dbraw/zinc/65/77/49/562657749.db2.gz	DTALMBPGORSXSB-UHFFFAOYSA-P	0	1	590.720	6.127	1	5		KKBFMN
O=C(CN1CCCC1)Nc1ccc(NC(=O)c2cccc3c(=O)c4cccc(C(=O)Nc5ccc(NC(=O)CN6CCCC6)cc5)c4[nH]c23)cc1	ZINC000049694497	562669413	/nfs/dbraw/zinc/66/94/13/562669413.db2.gz	LUQVKTBCNVUURG-UHFFFAOYSA-N	0	1	685.785	5.255	1	5		KKBFMN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)C(C)=N1	ZINC000053122867	562696329	/nfs/dbraw/zinc/69/63/29/562696329.db2.gz	DMPUIQVQMKBKRW-PGUFJCEWSA-N	0	1	634.733	7.588	1	5		KKBFMN
CC[NH+](CC)CCOc1cc2oc3cc([O-])c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC	ZINC000053314182	562697682	/nfs/dbraw/zinc/69/76/82/562697682.db2.gz	CDVYPLVWRPRTCO-UHFFFAOYSA-N	0	1	509.643	6.104	1	5		KKBFMN
O=[N+]([O-])c1ncn(CCCN(Cc2ccc3ccc(Cl)cc3n2)Cc2ccc3ccc(Cl)cc3n2)n1	ZINC000073275558	562737247	/nfs/dbraw/zinc/73/72/47/562737247.db2.gz	PEWAKULERJDGAP-UHFFFAOYSA-N	0	1	522.396	5.682	1	5		KKBFMN
CCCCCCC(=O)CCCCCCCCCOC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OCC	ZINC000084462482	562743206	/nfs/dbraw/zinc/74/32/06/562743206.db2.gz	ODDYZPRJYMMLDY-SANMLTNESA-O	0	1	524.700	5.908	1	5		KKBFMN
CCc1c(C)c2cc3[nH]c(c(CC(=O)OC)c4nc(cc5nc(cc1[nH]2)[C@]1(C)C5=CC=C(C(=O)OC)[C@@H]1C(=O)OC)c(C)c4C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C	ZINC000095615189	562787162	/nfs/dbraw/zinc/78/71/62/562787162.db2.gz	TYACUJIUKCIULA-JODFMMGKSA-N	0	1	780.875	6.080	1	5		KKBFMN
CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1NC(=O)c1ccc(CN2CCN(C)CC2)cc1	ZINC000096928309	562802825	/nfs/dbraw/zinc/80/28/25/562802825.db2.gz	BUCSTRYRMLJUGI-UHFFFAOYSA-N	0	1	676.145	6.617	1	5		KKBFMN
O=c1c2c(oc([O-])c1[C@H](c1cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)c1)C1CC1)CCCCCC2	ZINC000100764943	562807761	/nfs/dbraw/zinc/80/77/61/562807761.db2.gz	YHOKERWXWSKSRO-DEOSSOPVSA-N	0	1	524.595	5.255	1	5		KKBFMN
O=c1oc2c(c([O-])c1[C@H](c1cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c1)C1CC1)CCCCCC2	ZINC000100764561	562807770	/nfs/dbraw/zinc/80/77/70/562807770.db2.gz	IRWZLCPCRDRYIO-DEOSSOPVSA-N	0	1	524.595	5.255	1	5		KKBFMN
CCOC(=O)C1=Cc2c3nc(cc4[nH]c(cc5nc(cc6[nH]c2c(C)c6CC)c(C)c5CC)c(C)c4CC)[C@@H](C)[C@@]31CC	ZINC000169343169	562861128	/nfs/dbraw/zinc/86/11/28/562861128.db2.gz	RISACXCZQWMDFI-XYTTWMLMSA-N	0	1	576.785	8.616	1	5		KKBFMN
CCOC(=O)C1=Cc2c3nc(cc4[nH]c(cc5[nH]c(cc6nc2[C@]1(CC)[C@@H]6C)c(CC)c5C)c(CC)c4C)c(CC)c3C	ZINC000169343169	562861129	/nfs/dbraw/zinc/86/11/29/562861129.db2.gz	RISACXCZQWMDFI-XYTTWMLMSA-N	0	1	576.785	8.616	1	5		KKBFMN
COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1[NH2+]CCc3cc([O-])c4c(c31)Oc1c(OC)cc3c(c1O4)[C@H](C2)[N+](C)([O-])CC3	ZINC000085908104	717137385	/nfs/dbraw/zinc/13/73/85/717137385.db2.gz	DJJSAIRLTRARJX-PRJXJSFWSA-N	0	1	594.664	6.627	1	5		KKBFMN
COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N+]1(C)[O-])Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3	ZINC000153935627	717154643	/nfs/dbraw/zinc/15/46/43/717154643.db2.gz	XOKSQIGOCSEXEF-VIUBGJTESA-N	0	1	638.761	7.175	1	5		KKBFMN
O=C(CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N[C@H]1c2ccccc2CSc2ccccc21	ZINC000013820568	561732632	/nfs/dbraw/zinc/73/26/32/561732632.db2.gz	CKCBNTPFARQMKX-NDEPHWFRSA-N	0	1	502.640	5.009	1	5		KKBFMN
CC(=O)[C@@H]1Cc2c3oc4ccccc4c(=O)c3cc(O)c2[C@@H](O[C@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)O2)C1	ZINC000026292916	561780931	/nfs/dbraw/zinc/78/09/31/561780931.db2.gz	GHEYFRDFRMWXEI-WIXYSDOTSA-N	0	1	698.603	5.177	1	5		KKBFMN
CC(=O)[C@@H]1Cc2c3oc4ccccc4c(=O)c3cc(O)c2[C@@H](O[C@@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)O2)C1	ZINC000026292925	561780852	/nfs/dbraw/zinc/78/08/52/561780852.db2.gz	GHEYFRDFRMWXEI-DIJCFCEBSA-N	0	1	698.603	5.177	1	5		KKBFMN
CC(=O)[C@@H]1Cc2c3oc4ccccc4c(=O)c3cc(O)c2[C@@H](O[C@@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)O2)C1	ZINC000026292930	561780888	/nfs/dbraw/zinc/78/08/88/561780888.db2.gz	GHEYFRDFRMWXEI-FWAKGGEUSA-N	0	1	698.603	5.177	1	5		KKBFMN
CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000026719207	561814819	/nfs/dbraw/zinc/81/48/19/561814819.db2.gz	IQQZEYOKQKUIOY-UHFFFAOYSA-N	0	1	651.667	6.820	1	5		KKBFMN
CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000026986245	561832034	/nfs/dbraw/zinc/83/20/34/561832034.db2.gz	NCHZWYVOXHDWLS-GOQOSDJISA-N	0	1	654.855	5.337	1	5		KKBFMN
CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000026986245	561832036	/nfs/dbraw/zinc/83/20/36/561832036.db2.gz	NCHZWYVOXHDWLS-GOQOSDJISA-N	0	1	654.855	5.337	1	5		KKBFMN
Fc1cnccc1-c1c2ccc(n2)c(-c2ccncc2F)c2ccc([nH]2)c(-c2ccncc2F)c2ccc(n2)c(-c2ccncc2F)c2ccc1[nH]2	ZINC000029226158	562008205	/nfs/dbraw/zinc/00/82/05/562008205.db2.gz	GVWCWSJALRIODO-UHFFFAOYSA-N	0	1	690.664	9.674	1	5		KKBFMN
Fc1ccccc1-c1c2ccc(n2)c(-c2ccccc2F)c2ccc([nH]2)c(-c2ccccc2F)c2ccc(n2)c(-c2ccccc2F)c2ccc1[nH]2	ZINC000029227860	562008800	/nfs/dbraw/zinc/00/88/00/562008800.db2.gz	XUHATPGNPVVDOZ-UHFFFAOYSA-N	0	1	686.712	12.094	1	5		KKBFMN
N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1	ZINC000029320336	562012885	/nfs/dbraw/zinc/01/28/85/562012885.db2.gz	HRKYQBGXXFFONM-MCIHLOJYSA-N	0	1	668.628	7.265	1	5		KKBFMN
CCCCOc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-]	ZINC000031458349	562036250	/nfs/dbraw/zinc/03/62/50/562036250.db2.gz	PJBCTWXGXDEKCF-UHFFFAOYSA-N	0	1	502.755	6.512	1	5		KKBFMN
C[N+](C)(C)CCOP(=O)([O-])OCCCCCCCCCCCCCCO[P@@](=O)([O-])OCC[N+](C)(C)C	ZINC000044417883	562657183	/nfs/dbraw/zinc/65/71/83/562657183.db2.gz	WMNWILTUQIUGRX-UHFFFAOYSA-P	0	1	562.666	5.347	1	5		KKBFMN
CC[NH+](CC)C[C@@H](O)COc1cc2oc3cc([O-])c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC	ZINC000053297957	562697488	/nfs/dbraw/zinc/69/74/88/562697488.db2.gz	NTLXKILPMUNMSW-HXUWFJFHSA-N	0	1	539.669	5.465	1	5		KKBFMN
Cc1nc(C)c(P2(=O)O[C@H](C)C[C@@H](C)O2)c(-c2cccc([N+](=O)[O-])c2)c1C(=O)OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000067906323	562715616	/nfs/dbraw/zinc/71/56/16/562715616.db2.gz	PFKHLXIJSNUZDT-KAYWLYCHSA-N	0	1	698.757	6.870	1	5	in-vitro	KKBFMN
O=[N+]([O-])c1ncn(CCCN(Cc2ccc3cc(Br)ccc3n2)Cc2ccc3cc(Br)ccc3n2)n1	ZINC000073196887	562735213	/nfs/dbraw/zinc/73/52/13/562735213.db2.gz	HWHBXLAFHCNPJO-UHFFFAOYSA-N	0	1	611.298	5.900	1	5		KKBFMN
CCN1CCN(C[C@@H]2S[C@@H](c3ccccc3[N+](=O)[O-])N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1	ZINC000082164794	562741244	/nfs/dbraw/zinc/74/12/44/562741244.db2.gz	MVSMBONLCYSHQL-VBTAUBHQSA-N	0	1	736.859	5.018	1	5		KKBFMN
O=C1CCCN1c1c2ccc(n2)c(-c2ccccc2)c2ccc([nH]2)c(N2CCCC2=O)c2ccc(n2)c(-c2ccccc2)c2ccc1[nH]2	ZINC000096914195	562800745	/nfs/dbraw/zinc/80/07/45/562800745.db2.gz	QVSGHLRRXKILAS-UHFFFAOYSA-N	0	1	628.736	8.458	1	5		KKBFMN
O=[N+]([O-])c1cc(C(F)(F)F)c(Br)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl	ZINC000098081898	562805129	/nfs/dbraw/zinc/80/51/29/562805129.db2.gz	KABRNACGQVFUTJ-UHFFFAOYSA-N	0	1	509.544	6.095	1	5		KKBFMN
COc1cc2c(Br)c(CN3CCC[C@H]3C(=N)OC(C)(C)C)c3cc(OC)c(OC)cc3c2cc1OC	ZINC000103170792	562814823	/nfs/dbraw/zinc/81/48/23/562814823.db2.gz	MPRMAZZDEJLSNI-NRFANRHFSA-N	0	1	559.501	6.547	1	5		KKBFMN
Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc([N+](=O)[O-])cc5)cc4)nc(N(C)C)n3)ccc12	ZINC000150584688	562845726	/nfs/dbraw/zinc/84/57/26/562845726.db2.gz	QAQWJCIKYXYNNX-DYKQPOOOSA-N	0	1	786.875	6.161	1	5		KKBFMN
C[NH+]1CCC(Nc2ccc(S(=O)(=O)[N-]C(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1	ZINC000165271015	562849995	/nfs/dbraw/zinc/84/99/95/562849995.db2.gz	PSGKLZAFCNZUHI-UHFFFAOYSA-N	0	1	861.893	9.105	1	5		KKBFMN
C[C@]12CC[C@@H]3c4ccc(O)c([N+](=O)[O-])c4CC[C@H]3[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(Br)c1	ZINC000474609683	562905652	/nfs/dbraw/zinc/90/56/52/562905652.db2.gz	SKWLDRSDISNIQR-STDWZSPESA-N	0	1	535.460	5.266	1	5		KKBFMN
CCC1=NC(C)=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(Cc1ccccc1)Cc1ccc2ccccc2c1	ZINC000026483820	561792130	/nfs/dbraw/zinc/79/21/30/561792130.db2.gz	DXNZWTKABFCNFQ-BHVANESWSA-N	0	1	648.760	7.978	1	5		KKBFMN
CC1=C(C(=O)OCC2CC2)[C@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(C/C=C/c2ccccc2)Cc2ccccc2)C(C)=N1	ZINC000026493802	561794002	/nfs/dbraw/zinc/79/40/02/561794002.db2.gz	TXOBQFUALPVSAI-BDRQXKFKSA-N	0	1	622.722	6.949	1	5		KKBFMN
COc1ccc(CN(CC[N@H+](C)CCCCCCNC(=O)c2ccc(-c3c4ccc(N)cc4oc4cc(=N)ccc3-4)c(C(=O)[O-])c2)c2ccccn2)cc1	ZINC000028243251	561910603	/nfs/dbraw/zinc/91/06/03/561910603.db2.gz	LVZOXUCPVVPLIK-UHFFFAOYSA-N	0	1	726.878	7.297	1	5		KKBFMN
COc1ccc(CN(CC[N@@H+](C)CCCCCCNC(=O)c2ccc(-c3c4ccc(N)cc4oc4cc(=N)ccc3-4)c(C(=O)[O-])c2)c2ccccn2)cc1	ZINC000028243251	561910605	/nfs/dbraw/zinc/91/06/05/561910605.db2.gz	LVZOXUCPVVPLIK-UHFFFAOYSA-N	0	1	726.878	7.297	1	5		KKBFMN
COc1cc(/C=C/C(=O)OCCN(C)CCOC(=O)c2c3ccccc3cc3ccccc32)cc(OC)c1OC	ZINC000028637726	561941825	/nfs/dbraw/zinc/94/18/25/561941825.db2.gz	URJHANPMNWILAN-BUHFOSPRSA-N	0	1	543.616	5.364	1	5		KKBFMN
O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)c(C(=O)c2ccccc2)c1	ZINC000028638597	561942346	/nfs/dbraw/zinc/94/23/46/561942346.db2.gz	OMCKAIMGTICWQC-ACZFNNMPSA-N	0	1	737.857	8.368	1	5		KKBFMN
C[N+]1(CCO[P@](=O)([O-])OCCCCCC2CCCCCCCCCCCCCC2)CCOCC1	ZINC000029134594	562004216	/nfs/dbraw/zinc/00/42/16/562004216.db2.gz	RLZOGXOIKVEBDH-UHFFFAOYSA-O	0	1	504.713	7.248	1	5		KKBFMN
CC[NH+](CC)C[C@H](O)COc1cc2oc3cc([O-])c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC	ZINC000053297954	562697478	/nfs/dbraw/zinc/69/74/78/562697478.db2.gz	NTLXKILPMUNMSW-FQEVSTJZSA-N	0	1	539.669	5.465	1	5		KKBFMN
CCCCn1c(=O)c2cc(OC)ccc2c2c(OC)c(C(O)(C(F)(F)F)C(F)(F)F)cc(OC)c21	ZINC000071316871	562718068	/nfs/dbraw/zinc/71/80/68/562718068.db2.gz	LYFLWSAVNZXZGH-UHFFFAOYSA-N	0	1	507.427	5.293	1	5		KKBFMN
Oc1ccc2c(c1)c1nc3nc(nc4nc(nc5[nH]c(nc2[nH]1)c1cc(O)ccc15)-c1ccccc1-4)-c1ccccc1-3	ZINC000096905079	562798456	/nfs/dbraw/zinc/79/84/56/562798456.db2.gz	KZHACBUVWUMJLE-UHFFFAOYSA-N	0	1	546.550	6.280	1	5		KKBFMN
CCN(CC)C(=O)[C@@H]1CCCN1Cc1c(Br)c2cc(OC)c(OC)cc2c2cc(OC)ccc21	ZINC000103174195	562814988	/nfs/dbraw/zinc/81/49/88/562814988.db2.gz	RNNBDAKCKQWNEE-QHCPKHFHSA-N	0	1	529.475	5.614	1	5		KKBFMN
C[NH+]1CCC(Nc2ccc(S(=O)(=O)[N-]C(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccccc3F)cc2[N+](=O)[O-])CC1	ZINC000165224673	562849867	/nfs/dbraw/zinc/84/98/67/562849867.db2.gz	PDRCAMAVQKGGRS-UHFFFAOYSA-N	0	1	845.438	8.590	1	5		KKBFMN
CCc1c2cc3[nH]c(cc4nc(cc5[nH]c(cc(n2)c1CC)c(CC)c5CC)[C@@]1(CC)C4=CCC(C(=O)OC)=C1C(=O)OC)c(CC)c3CC	ZINC000169302100	562853031	/nfs/dbraw/zinc/85/30/31/562853031.db2.gz	DOGLGLBLRZBUJE-HUESYALOSA-N	0	1	674.886	8.745	1	5		KKBFMN
CCc1c2cc3nc(cc4[nH]c(cc5[nH]c(cc(n2)c1CC)c(CC)c5CC)c(CC)c4CC)[C@@]1(CC)C3=CCC(C(=O)OC)=C1C(=O)OC	ZINC000169302100	562853032	/nfs/dbraw/zinc/85/30/32/562853032.db2.gz	DOGLGLBLRZBUJE-HUESYALOSA-N	0	1	674.886	8.745	1	5		KKBFMN
CN1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4n3Cc3c(Cl)cccc3Cl)cc2)CC1	ZINC000653874624	562916585	/nfs/dbraw/zinc/91/65/85/562916585.db2.gz	QWQBYWTZELGODP-UHFFFAOYSA-N	0	1	538.435	5.909	1	5		KKBFMN
O=c1c(-c2cccc(C(F)(F)F)c2)coc2cc3occ(-c4cccc(C(F)(F)F)c4)c(O)c-3c(=O)c12	ZINC000653905711	562917588	/nfs/dbraw/zinc/91/75/88/562917588.db2.gz	BKKGRXFXICAHKN-UHFFFAOYSA-N	0	1	518.365	6.977	1	5		KKBFMN
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@@+]1(C)[O-])Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3	ZINC000255281221	717171589	/nfs/dbraw/zinc/17/15/89/717171589.db2.gz	XOKSQIGOCSEXEF-QXPOBEJSSA-N	0	1	638.761	7.175	1	5		KKBFMN
CCCCCC[C@@H]1C[C@@H]1CCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000015261740	561752971	/nfs/dbraw/zinc/75/29/71/561752971.db2.gz	JMNXFZCXVGEDAC-UODIDJSMSA-O	0	1	536.711	5.848	1	5		KKBFMN
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)C(C(C)C)=N1	ZINC000026470958	561790548	/nfs/dbraw/zinc/79/05/48/561790548.db2.gz	YHXKSWSHBCAQFR-BHVANESWSA-N	0	1	662.787	8.224	1	5		KKBFMN
COCCN(C)Cc1c(-c2ccc([N+](=O)[O-])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F	ZINC000027196748	561844437	/nfs/dbraw/zinc/84/44/37/561844437.db2.gz	MIPYMIUZURPKGG-UHFFFAOYSA-N	0	1	592.624	5.194	1	5		KKBFMN
CN(CCc1ccccn1)Cc1c(-c2ccc([N+](=O)[O-])cc2)cc2n1c(=O)c(C1=NC(C)(C)CO1)cn2Cc1ccccc1F	ZINC000027323908	561853098	/nfs/dbraw/zinc/85/30/98/561853098.db2.gz	UZNLYQNSOXDZTB-UHFFFAOYSA-N	0	1	608.674	5.489	1	5		KKBFMN
C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(C)c5CCC(=O)OC)c(CCC(=O)OC)c4C)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC	ZINC000029130628	562002742	/nfs/dbraw/zinc/00/27/42/562002742.db2.gz	KAMMMQZZCHKHEB-KWLHKINFSA-N	0	1	732.834	6.615	1	5		KKBFMN
CC(C)c1ccc2nc3ccc(C(=O)NCCN4CCN(C(c5ccccc5)c5ccccc5)CC4)cn3c(=O)c2c1	ZINC000029395824	562018529	/nfs/dbraw/zinc/01/85/29/562018529.db2.gz	FVOHSYJQACJPDA-UHFFFAOYSA-N	0	1	559.714	5.108	1	5		KKBFMN
CCN1CCN(C[C@H]2S[C@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1	ZINC000082165105	562741429	/nfs/dbraw/zinc/74/14/29/562741429.db2.gz	QYWINVBBKSLXRA-QIKUIUABSA-N	0	1	736.859	5.018	1	5		KKBFMN
CCN(CC)C(=O)[C@H]1CCCN1Cc1c(Br)c2ccc(OC)c(Br)c2c2cc(OC)c(OC)cc21	ZINC000103174192	562815002	/nfs/dbraw/zinc/81/50/02/562815002.db2.gz	FMDSQPJLTLTJCK-HXUWFJFHSA-N	0	1	608.371	6.377	1	5		KKBFMN
Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc([N+](=O)[O-])cc5)cc4)nc(N(C)C)n3)ccc12	ZINC000150584670	562845738	/nfs/dbraw/zinc/84/57/38/562845738.db2.gz	QAQWJCIKYXYNNX-GOJCVTOHSA-N	0	1	786.875	6.161	1	5		KKBFMN
C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(C)c5CCC(=O)OCCC)c(CCC(=O)OCCO)c4C)[C@@]1(C)C3=CC=C(C(=O)OC)[C@@H]1C(=O)OC	ZINC000169292456	562852028	/nfs/dbraw/zinc/85/20/28/562852028.db2.gz	LHXFPSQJODNWEW-RHKHYPKJSA-N	0	1	790.914	6.758	1	5	in-man	KKBFMN
O=c1cc2occ(-c3ccc(OC(F)(F)F)cc3)c(=O)c2c2occ(-c3ccc(OC(F)(F)F)cc3)c(O)c1-2	ZINC000653916389	562917906	/nfs/dbraw/zinc/91/79/06/562917906.db2.gz	NCTKSPZGFPNQBI-UHFFFAOYSA-N	0	1	550.363	6.736	1	5		KKBFMN
C[N+](C)(C)CCO[P@](=O)([O-])OC[C@@H](CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H](C1)[C@@H]1[C@@H]3CC[C@@H]3[C@@H]21	ZINC000231942964	717161613	/nfs/dbraw/zinc/16/16/13/717161613.db2.gz	ZUCLYSUAXIPVLL-FOMGNTOASA-O	0	1	530.707	5.253	1	5		KKBFMN
CCOC(=O)C1=C(Cl)N=C(C)N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000026474104	561790779	/nfs/dbraw/zinc/79/07/79/561790779.db2.gz	WAVBRYFJXCNMAJ-YTTGMZPUSA-N	0	1	641.124	7.376	1	5		KKBFMN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)C(=O)N1	ZINC000026476627	561791185	/nfs/dbraw/zinc/79/11/85/561791185.db2.gz	FEPQKGWVWLLPTQ-MGBGTMOVSA-N	0	1	636.705	6.879	1	5		KKBFMN
CN(C)Cc1c(-c2ccc([N+](=O)[O-])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F	ZINC000027178968	561841484	/nfs/dbraw/zinc/84/14/84/561841484.db2.gz	UKWDIDHJGAGPJX-UHFFFAOYSA-N	0	1	548.571	5.177	1	5		KKBFMN
C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)[C@@]1(C)C5=CCC(C(=O)OC)=C1C(=O)OC)c(C)c4CCC(=O)OC)c(CCC(=O)OC)c3C	ZINC000028257036	561911659	/nfs/dbraw/zinc/91/16/59/561911659.db2.gz	WEAHWYOTPJBDKA-HUESYALOSA-N	0	1	732.834	6.759	1	5		KKBFMN
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1	ZINC000028638425	561942168	/nfs/dbraw/zinc/94/21/68/561942168.db2.gz	QFWMQTZDFZRODH-VBKBYABBSA-N	0	1	639.668	6.728	1	5		KKBFMN
CC(C)(C)OC(=O)CC[C@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2cc(F)cc(F)c2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C	ZINC000029239369	562010019	/nfs/dbraw/zinc/01/00/19/562010019.db2.gz	OKBOSVKRKIHTKC-DEOSSOPVSA-N	0	1	687.745	5.004	1	5		KKBFMN
O=C1C(N2C(=O)c3ccccc3C2=O)[C@H](c2ccccc2)N1c1cc2c3ccccc3ccc2c2ccccc21	ZINC000029318270	562012769	/nfs/dbraw/zinc/01/27/69/562012769.db2.gz	BBPOHINRHLHHIY-AJQTZOPKSA-N	0	1	518.572	6.899	1	5		KKBFMN
O=[N+]([O-])c1nccn1CCCN(Cc1ccc2cc(Br)ccc2n1)Cc1ccc2cc(Br)ccc2n1	ZINC000073196199	562735007	/nfs/dbraw/zinc/73/50/07/562735007.db2.gz	MYRJIULVRFGVMD-UHFFFAOYSA-N	0	1	610.310	6.505	1	5		KKBFMN
O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1cc(-c2c([O-])cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1	ZINC000096940122	562804879	/nfs/dbraw/zinc/80/48/79/562804879.db2.gz	AUPWYWWGBFAOEI-UHFFFAOYSA-N	0	1	536.585	5.228	1	5		KKBFMN
O=c1c2c(oc([O-])c1[C@@H](c1cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)c1)C1CC1)CCCCCC2	ZINC000100764945	562807808	/nfs/dbraw/zinc/80/78/08/562807808.db2.gz	YHOKERWXWSKSRO-XMMPIXPASA-N	0	1	524.595	5.255	1	5		KKBFMN
CCN(CC)C(=O)[C@H]1CCCN1Cc1c(Br)c2cc(OC)c(OC)cc2c2cc(OC)ccc21	ZINC000103174769	562815006	/nfs/dbraw/zinc/81/50/06/562815006.db2.gz	RNNBDAKCKQWNEE-HSZRJFAPSA-N	0	1	529.475	5.614	1	5		KKBFMN
Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc([N+](=O)[O-])cc5)cc4)nc(N(C)C)n3)ccc12	ZINC000150584681	562845747	/nfs/dbraw/zinc/84/57/47/562845747.db2.gz	QAQWJCIKYXYNNX-WNOXWKSXSA-N	0	1	786.875	6.161	1	5		KKBFMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(-n3ccc4c3cccc4-c3ccc(C(F)(F)F)cc3)c2)c1	ZINC000169307537	562853859	/nfs/dbraw/zinc/85/38/59/562853859.db2.gz	AKAGQDKIIOVNKF-UHFFFAOYSA-N	0	1	537.519	7.025	1	5		KKBFMN
CCc1c(C)c2cc3[nH]c(c(CC(=O)OC)c4nc(cc5nc(cc1[nH]2)[C@@]1(C)C5=CC=C(C(=O)OC)[C@@H]1C(=O)OC)c(C)c4C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C	ZINC000253669671	562882711	/nfs/dbraw/zinc/88/27/11/562882711.db2.gz	TYACUJIUKCIULA-XEAWLQPPSA-N	0	1	780.875	6.080	1	5		KKBFMN
CN1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4n3Cc3ccc(C(F)(F)F)cc3)cc2)CC1	ZINC000653874657	562916627	/nfs/dbraw/zinc/91/66/27/562916627.db2.gz	ZZERETKCCUIWCO-UHFFFAOYSA-N	0	1	537.542	5.621	1	5		KKBFMN
CCCCCCC(=O)CCCCCCCCCOC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OCC	ZINC000026167139	561769365	/nfs/dbraw/zinc/76/93/65/561769365.db2.gz	ODDYZPRJYMMLDY-AREMUKBSSA-O	0	1	524.700	5.908	1	5		KKBFMN
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)C(=O)N1	ZINC000026476633	561791163	/nfs/dbraw/zinc/79/11/63/561791163.db2.gz	FEPQKGWVWLLPTQ-XIFFEERXSA-N	0	1	636.705	6.879	1	5		KKBFMN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccccc2)C(C(F)(F)F)=N1	ZINC000026484848	561792235	/nfs/dbraw/zinc/79/22/35/561792235.db2.gz	REZGJCFSFINHNY-GDLZYMKVSA-N	0	1	638.643	6.977	1	5		KKBFMN
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccccc2)C(C)=N1	ZINC000026488062	561792808	/nfs/dbraw/zinc/79/28/08/561792808.db2.gz	QYWRMIXNITVJOH-HKBQPEDESA-N	0	1	584.673	6.435	1	5		KKBFMN
CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CCCc1ccc([N+](=O)[O-])cc1	ZINC000026982862	561831463	/nfs/dbraw/zinc/83/14/63/561831463.db2.gz	XYHRDQOAIUJLAB-RJSONGRPSA-N	0	1	636.815	5.426	1	5		KKBFMN
CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CCCc1ccc([N+](=O)[O-])cc1	ZINC000026982862	561831465	/nfs/dbraw/zinc/83/14/65/561831465.db2.gz	XYHRDQOAIUJLAB-RJSONGRPSA-N	0	1	636.815	5.426	1	5		KKBFMN
CCOC(=O)C1=Cc2c3nc(cc4[nH]c(cc5nc(cc6[nH]c2c(C)c6CC)c(C)c5CC)c(C)c4CC)[C@@H](C)[C@]31CC	ZINC000028012349	561896484	/nfs/dbraw/zinc/89/64/84/561896484.db2.gz	RISACXCZQWMDFI-TXQSWDKBSA-N	0	1	576.785	8.616	1	5		KKBFMN
CCOC(=O)C1=Cc2c3nc(cc4[nH]c(cc5[nH]c(cc6nc2[C@@]1(CC)[C@@H]6C)c(CC)c5C)c(CC)c4C)c(CC)c3C	ZINC000028012349	561896485	/nfs/dbraw/zinc/89/64/85/561896485.db2.gz	RISACXCZQWMDFI-TXQSWDKBSA-N	0	1	576.785	8.616	1	5		KKBFMN
COc1ccc([C@@H](c2ccc(OC[C@@H](O)CN3CCN(C)CC3)cc2)c2cc3ccccc3c3ccccc32)cc1	ZINC000028529117	561933705	/nfs/dbraw/zinc/93/37/05/561933705.db2.gz	AZMYTHBVRWQUGM-IVUOSGLUSA-N	0	1	546.711	6.169	1	5		KKBFMN
N[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1	ZINC000028639328	561942535	/nfs/dbraw/zinc/94/25/35/561942535.db2.gz	WVHFHFQUVFGDPV-MCIHLOJYSA-N	0	1	635.076	6.900	1	5		KKBFMN
O=C1C(N2C(=O)c3ccccc3C2=O)[C@H](c2ccccc2)N1c1cc2c3ccccc3ccc2c2ccccc21	ZINC000029318265	562012796	/nfs/dbraw/zinc/01/27/96/562012796.db2.gz	BBPOHINRHLHHIY-ACHIHNKUSA-N	0	1	518.572	6.899	1	5		KKBFMN
COc1ccc(CCN2[C@@H]3CC[C@H]2C[C@H]3N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)c(OC)c2)cc1OC	ZINC000029567653	562034746	/nfs/dbraw/zinc/03/47/46/562034746.db2.gz	KQGTYMOGWVSLAQ-SKBVVQJISA-N	0	1	561.635	5.124	1	5		KKBFMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3c(O)ccc4cc(-c5cccc(O)c5)ccc43)c2)cc1	ZINC000084653934	562747131	/nfs/dbraw/zinc/74/71/31/562747131.db2.gz	CJPPUTUNHZPJHQ-UHFFFAOYSA-N	0	1	512.543	6.294	1	5		KKBFMN
O=C(NC1CC[NH+](C2CCCCCC2)CC1)c1cc(-c2c([O-])cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1	ZINC000096940110	562804891	/nfs/dbraw/zinc/80/48/91/562804891.db2.gz	WBQGHCXSLMBGDR-UHFFFAOYSA-N	0	1	536.585	5.370	1	5		KKBFMN
CC(=O)Oc1ccc(/C=C/C(=O)Nc2cccc3c2cccc3S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC(C)=O	ZINC000098085031	562805772	/nfs/dbraw/zinc/80/57/72/562805772.db2.gz	YIROMWHLQRCSFL-FYWRMAATSA-N	0	1	589.582	5.051	1	5		KKBFMN
CC1(C)CCC(C[NH+]2CCN(c3ccc(C(=O)[N-]S(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccnc(N)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	ZINC000165253777	562849942	/nfs/dbraw/zinc/84/99/42/562849942.db2.gz	ZZDPTIKPAGTWTJ-UHFFFAOYSA-N	0	1	844.435	7.761	1	5		KKBFMN
C[NH+]1CCC(Nc2ccc(S(=O)(=O)[N-]C(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccccc3Cl)cc2[N+](=O)[O-])CC1	ZINC000165332132	562850128	/nfs/dbraw/zinc/85/01/28/562850128.db2.gz	QEEKNPQNKYFVPW-UHFFFAOYSA-N	0	1	861.893	9.105	1	5		KKBFMN
O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccccc4n4cc5ccccc5c34)cc2)CC1	ZINC000199678757	562873031	/nfs/dbraw/zinc/87/30/31/562873031.db2.gz	UYWIIFFWRJMXNP-UHFFFAOYSA-N	0	1	523.640	6.788	1	5		KKBFMN
C[C@]12CC[C@@H]3c4cc([N+](=O)[O-])c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000474608452	562905514	/nfs/dbraw/zinc/90/55/14/562905514.db2.gz	MALBMSTYSJBKNL-JFDOVZFRSA-N	0	1	524.561	5.522	1	5		KKBFMN
CN1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4n3Cc3ccc(Br)cc3)cc2)CC1	ZINC000653874632	562916578	/nfs/dbraw/zinc/91/65/78/562916578.db2.gz	SWDORYFZFAAACT-UHFFFAOYSA-N	0	1	548.441	5.364	1	5		KKBFMN
CCCCCC[C@H]1C[C@H]1CCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000015261743	717111345	/nfs/dbraw/zinc/11/13/45/717111345.db2.gz	JMNXFZCXVGEDAC-JIMJEQGWSA-O	0	1	536.711	5.848	1	5		KKBFMN
O=C(CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N[C@@H]1c2ccccc2CSc2ccccc21	ZINC000013820566	561732605	/nfs/dbraw/zinc/73/26/05/561732605.db2.gz	CKCBNTPFARQMKX-MUUNZHRXSA-N	0	1	502.640	5.009	1	5		KKBFMN
CC1=C(C(=O)OCC2CC2)[C@@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(C/C=C/c2ccccc2)Cc2ccccc2)C(C)=N1	ZINC000026493798	561793966	/nfs/dbraw/zinc/79/39/66/561793966.db2.gz	TXOBQFUALPVSAI-KMLPMNCASA-N	0	1	622.722	6.949	1	5		KKBFMN
CCOC(=O)C1=Cc2c3nc(cc4[nH]c(cc5nc(cc6[nH]c2c(CC)c6CC)c(CC)c5CC)c(CC)c4CC)[C@@H](CC)[C@]31CC	ZINC000028006947	561895588	/nfs/dbraw/zinc/89/55/88/561895588.db2.gz	KZRLWZDZXYKABK-AJSRXKBESA-N	0	1	632.893	9.769	1	5		KKBFMN
CCOC(=O)C1=Cc2c3nc(cc4[nH]c(cc5[nH]c(cc6nc2[C@@]1(CC)[C@@H]6CC)c(CC)c5CC)c(CC)c4CC)c(CC)c3CC	ZINC000028006947	561895590	/nfs/dbraw/zinc/89/55/90/561895590.db2.gz	KZRLWZDZXYKABK-AJSRXKBESA-N	0	1	632.893	9.769	1	5		KKBFMN
CCCCCC(=O)CCCCCCCCCCCOC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC	ZINC000028231894	561909192	/nfs/dbraw/zinc/90/91/92/561909192.db2.gz	HIIKQTFNFSAFPI-AREMUKBSSA-O	0	1	524.700	5.908	1	5		KKBFMN
COc1ccc([C@@H](c2ccc(OC[C@@H](O)CN3CCN(Cc4ccccc4)CC3)cc2)c2cc3ccccc3c3ccccc32)cc1	ZINC000028529285	561933937	/nfs/dbraw/zinc/93/39/37/561933937.db2.gz	YAWPPIAPUSJCAG-ZMEFLVBSSA-N	0	1	622.809	7.739	1	5		KKBFMN
Cc1cccc2nc3cccc(C(=O)NCCCN4CCN(CCCNC(=O)c5cccc6nc7cccc(C)c7nc65)CC4)c3nc12	ZINC000029209479	562005562	/nfs/dbraw/zinc/00/55/62/562005562.db2.gz	QNTNMSLLUUEJHI-UHFFFAOYSA-N	0	1	640.792	5.054	1	5		KKBFMN
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4ooc5cc6c(cc5oc43)C(=NCC6)C2)CCN1C	ZINC000103578914	560051809	/nfs/dbraw/zinc/05/18/09/560051809.db2.gz	GLWWHEHOVUJGNJ-MHZLTWQESA-N	0	1	576.649	7.379	1	5	biogenic,in-vitro	KKBFMN
O=c1c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1Cc1ccc2ccccc2c1	ZINC000071315842	562717755	/nfs/dbraw/zinc/71/77/55/562717755.db2.gz	SNUBGTSSORCULQ-UHFFFAOYSA-N	0	1	501.426	6.668	1	5		KKBFMN
CCN1CCN(C[C@H]2S[C@H](c3ccccc3[N+](=O)[O-])N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1	ZINC000082164800	562741260	/nfs/dbraw/zinc/74/12/60/562741260.db2.gz	MVSMBONLCYSHQL-QIKUIUABSA-N	0	1	736.859	5.018	1	5		KKBFMN
CCN1CCN(C[C@H]2S[C@@H](c3ccccc3[N+](=O)[O-])N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1	ZINC000082164792	562741269	/nfs/dbraw/zinc/74/12/69/562741269.db2.gz	MVSMBONLCYSHQL-FJQKOURKSA-N	0	1	736.859	5.018	1	5		KKBFMN
CN1CCN(c2ccc(Nc3ncc4nc(Nc5cccc([N+](=O)[O-])c5)n(C5CCCC5)c4n3)cc2)CC1	ZINC000095576372	562770602	/nfs/dbraw/zinc/77/06/02/562770602.db2.gz	XUVALDKZKUYGFZ-UHFFFAOYSA-N	0	1	513.606	5.089	1	5		KKBFMN
O=C(NC1CC[NH+](C2CCC(F)(F)CC2)CC1)c1cc(-c2c([O-])cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1	ZINC000114328474	562827915	/nfs/dbraw/zinc/82/79/15/562827915.db2.gz	IZPJDEVSLUINKO-UHFFFAOYSA-N	0	1	558.538	5.225	1	5		KKBFMN
COc1ccc2[nH]c3c(c2c1)c(C)c1c(cc[nH+]c1NCCC[N@@H+](C)CCCNc1ccc2nnn4c2c1c(=O)c1ccccc14)c3C	ZINC000150630458	562848939	/nfs/dbraw/zinc/84/89/39/562848939.db2.gz	CHAAUOYAMXYTLU-UHFFFAOYSA-N	0	1	638.776	6.878	1	5		KKBFMN
C[NH+](C)CCCNc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000165206464	562849863	/nfs/dbraw/zinc/84/98/63/562849863.db2.gz	NQFYRHPUCJHAMA-UHFFFAOYSA-N	0	1	833.427	8.448	1	5		KKBFMN
C[NH+]1CCC(Nc2ccc(S(=O)(=O)[N-]C(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccc(F)cc3)cc2[N+](=O)[O-])CC1	ZINC000165229261	562849898	/nfs/dbraw/zinc/84/98/98/562849898.db2.gz	YAGUDAARBDRLDQ-UHFFFAOYSA-N	0	1	845.438	8.590	1	5		KKBFMN
C[NH+]1CCC(Nc2ccc(S(=O)(=O)[N-]C(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(F)c3)cc2[N+](=O)[O-])CC1	ZINC000165292088	562850084	/nfs/dbraw/zinc/85/00/84/562850084.db2.gz	SDFDMUACMZSBJA-UHFFFAOYSA-N	0	1	845.438	8.590	1	5		KKBFMN
C[NH+]1CCC(Nc2ccc(S(=O)(=O)[N-]C(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc(Br)c3)cc2[N+](=O)[O-])CC1	ZINC000165407329	562850221	/nfs/dbraw/zinc/85/02/21/562850221.db2.gz	DBKAZDQBIPEOGV-UHFFFAOYSA-N	0	1	906.344	9.214	1	5		KKBFMN
C[C@]12CC[C@@H]3c4ccc(O)c([N+](=O)[O-])c4CC[C@H]3[C@@H]1CC[C@@H]2NS(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000474603296	562905230	/nfs/dbraw/zinc/90/52/30/562905230.db2.gz	BTDQRBVJMWSZDL-DLONEKPESA-N	0	1	532.662	6.171	1	5		KKBFMN
O=c1cc2occ(-c3cccc(C(F)(F)F)c3)c(=O)c2c2occ(-c3cccc(C(F)(F)F)c3)c(O)c1-2	ZINC000653870726	562916376	/nfs/dbraw/zinc/91/63/76/562916376.db2.gz	LYWBKDCRXOSDRY-UHFFFAOYSA-N	0	1	518.365	6.977	1	5		KKBFMN
O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	ZINC000017307119	561754694	/nfs/dbraw/zinc/75/46/94/561754694.db2.gz	NEKFFTDGRGZXKK-BVAGGSTKSA-N	0	1	592.496	5.554	3	5	aggregator	KKBFMN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)C(C(C)C)=N1	ZINC000026470951	561790520	/nfs/dbraw/zinc/79/05/20/561790520.db2.gz	YHXKSWSHBCAQFR-PSXMRANNSA-N	0	1	662.787	8.224	1	5		KKBFMN
CC(C)(C)OC(=O)CC[C@@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C	ZINC000029242589	562010327	/nfs/dbraw/zinc/01/03/27/562010327.db2.gz	PNEUFCKBRGHZHK-XMMPIXPASA-N	0	1	687.745	5.004	1	5		KKBFMN
CCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ncccc2c3=O)c1	ZINC000049035574	562663556	/nfs/dbraw/zinc/66/35/56/562663556.db2.gz	SVTPJKZZYJPYRV-UHFFFAOYSA-N	0	1	517.626	5.911	1	5		KKBFMN
Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCOc1ccc([N+](=O)[O-])cc1)C2	ZINC000049784485	562683632	/nfs/dbraw/zinc/68/36/32/562683632.db2.gz	YXRBOKWYDKWBAU-UHFFFAOYSA-N	0	1	534.465	6.384	1	5		KKBFMN
CN1CCN(c2ccc(Nc3ncc4c(=O)n(-c5c(Cl)cc(Cl)cc5Cl)c5nc6ccccc6n5c4n3)cc2)CC1	ZINC000053026053	562696136	/nfs/dbraw/zinc/69/61/36/562696136.db2.gz	LSUOLDVCRALNRA-UHFFFAOYSA-N	0	1	605.917	6.037	1	5		KKBFMN
O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	ZINC000059796508	562702343	/nfs/dbraw/zinc/70/23/43/562702343.db2.gz	NEKFFTDGRGZXKK-ZEQKJWHPSA-N	0	1	592.496	5.554	3	5	aggregator	KKBFMN
CCN1CCN(C[C@@H]2S[C@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1	ZINC000082165109	562741402	/nfs/dbraw/zinc/74/14/02/562741402.db2.gz	QYWINVBBKSLXRA-AFPLUKJUSA-N	0	1	736.859	5.018	1	5		KKBFMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(-c3c(O)ccc4cc(-c5cccc(O)c5)ccc43)c2)c1	ZINC000084653933	562747141	/nfs/dbraw/zinc/74/71/41/562747141.db2.gz	ZQSAATAMFMCMHN-UHFFFAOYSA-N	0	1	512.543	6.294	1	5		KKBFMN
Oc1ccc2c(c1)-c1nc3[nH]c(nc4nc(nc5[nH]c(nc-2n1)c1cc(O)ccc15)-c1cc(O)ccc1-4)c1cc(O)ccc13	ZINC000096905080	562798469	/nfs/dbraw/zinc/79/84/69/562798469.db2.gz	VKZVVCZBOGRDPL-UHFFFAOYSA-N	0	1	578.548	5.692	1	5		KKBFMN
Oc1ccc2c(c1)-c1nc3[nH]c(nc4nc(nc5[nH]c(nc-2n1)c1ccccc15)-c1cc(O)ccc1-4)c1cc(O)ccc13	ZINC000096905100	562798509	/nfs/dbraw/zinc/79/85/09/562798509.db2.gz	BVAPVULNMIMVQJ-UHFFFAOYSA-N	0	1	562.549	5.986	1	5		KKBFMN
O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@@H](O)CN3CCCCC3)c(Cc3ccccc3)cc2c1	ZINC000096907320	562799094	/nfs/dbraw/zinc/79/90/94/562799094.db2.gz	ULLCZRZRMLOTFB-MHZLTWQESA-N	0	1	501.558	6.185	1	5		KKBFMN
O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	ZINC000103765571	562825087	/nfs/dbraw/zinc/82/50/87/562825087.db2.gz	NEKFFTDGRGZXKK-OZXSUGGESA-N	0	1	592.496	5.554	3	5	aggregator	KKBFMN
CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccc(F)c([N+](=O)[O-])c2)C1	ZINC000114100395	562827715	/nfs/dbraw/zinc/82/77/15/562827715.db2.gz	NPPMCXRCRKJKTJ-HXUWFJFHSA-N	0	1	520.001	5.055	1	5		KKBFMN
C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1nn(CCCNC(=S)Nc3ccc(-c4c5ccc([O-])cc5oc5cc(=O)ccc4-5)c(C(=O)[O-])c3)c3ccccc31)C2	ZINC000150594985	562846556	/nfs/dbraw/zinc/84/65/56/562846556.db2.gz	SDFVJNYZXNDMQD-PBROBROCSA-N	0	1	744.874	6.440	1	5		KKBFMN
C[NH+](C)CCCNc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2ccccc2Cl)cc1[N+](=O)[O-]	ZINC000165228512	562849911	/nfs/dbraw/zinc/84/99/11/562849911.db2.gz	KXMPTEZIWZJEJF-UHFFFAOYSA-N	0	1	849.882	8.962	1	5		KKBFMN
Cc1cccc(Oc2cc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)ccc2C(=O)[N-]S(=O)(=O)c2ccc(NC3CC[NH+](C)CC3)c([N+](=O)[O-])c2)c1	ZINC000165247074	562849928	/nfs/dbraw/zinc/84/99/28/562849928.db2.gz	TXJZKVMXSRESBL-UHFFFAOYSA-N	0	1	841.475	8.760	1	5		KKBFMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-n3ccc4c3cccc4-c3ccc(C(F)(F)F)cc3)c2)cc1	ZINC000169307538	562853844	/nfs/dbraw/zinc/85/38/44/562853844.db2.gz	MZXCPWOMNDHPTO-UHFFFAOYSA-N	0	1	537.519	7.025	1	5		KKBFMN
CCN(CC)C(=O)Oc1cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C	ZINC000473150897	562901588	/nfs/dbraw/zinc/90/15/88/562901588.db2.gz	NDSHBNHQOJYTNZ-UHFFFAOYSA-N	0	1	509.599	6.224	1	5		KKBFMN
C[C@]12CC[C@@H]3c4cc([N+](=O)[O-])c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2NS(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000474605885	562905353	/nfs/dbraw/zinc/90/53/53/562905353.db2.gz	GPWXMRXOHJVIAK-ZKVCXLDKSA-N	0	1	532.662	6.171	1	5		KKBFMN
C/C=C1/C[N@+]2([O-])CC[C@@]34C[C@H]5[C@@H]6C[C@@H]7c8c(c9cc(OC)ccc9n8C)C[C@H]([C@@H]6CO[C@@]5(C)O[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14)N7C	ZINC000255279942	717171754	/nfs/dbraw/zinc/17/17/54/717171754.db2.gz	XBZCBOSPSDWMOG-LJYAVOCXSA-N	0	1	706.884	5.566	1	5		KKBFMN
CN(CCc1ccccn1)Cc1c(-c2ccc([N+](=O)[O-])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F	ZINC000027183408	561842145	/nfs/dbraw/zinc/84/21/45/561842145.db2.gz	XPNXWVWCCJFVPE-UHFFFAOYSA-N	0	1	639.684	6.185	1	5		KKBFMN
CCNC(=O)c1ccc(C(c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccoc2)cc1	ZINC000028390219	561922059	/nfs/dbraw/zinc/92/20/59/561922059.db2.gz	YHWLBBANJNPHID-PLQXJYEYSA-N	0	1	515.566	5.265	1	5		KKBFMN
COc1ccc([C@H](c2ccc(OC[C@@H](O)CN3CCN(C)CC3)cc2)c2cc3ccccc3c3ccccc32)cc1	ZINC000028529119	561933755	/nfs/dbraw/zinc/93/37/55/561933755.db2.gz	AZMYTHBVRWQUGM-RHBXAEEVSA-N	0	1	546.711	6.169	1	5		KKBFMN
COc1ccc([C@H](c2ccc(OC[C@H](O)CN3CCN(Cc4ccccc4)CC3)cc2)c2cc3ccccc3c3ccccc32)cc1	ZINC000028529292	561933988	/nfs/dbraw/zinc/93/39/88/561933988.db2.gz	YAWPPIAPUSJCAG-KKMSLZIYSA-N	0	1	622.809	7.739	1	5		KKBFMN
N[C@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1	ZINC000028638895	561942472	/nfs/dbraw/zinc/94/24/72/561942472.db2.gz	BKJASAVKMLVXAX-DKZDZWEYSA-N	0	1	600.631	6.246	1	5		KKBFMN
CC1(CN2C(=O)S/C(=C\c3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])c(C(F)(F)F)c4)cc3)C2=O)CCCCC1	ZINC000049762160	562676361	/nfs/dbraw/zinc/67/63/61/562676361.db2.gz	FANMQRSNMHKZCR-BKUYFWCQSA-N	0	1	583.610	6.421	1	5		KKBFMN
COc1cc(-c2c3ccc(cc4ccc([nH]4)c(-c4cc(OC)c(OC)c(OC)c4)c4ccc(cc5ccc2n5)[nH]4)n3)cc(OC)c1OC	ZINC000049938058	562695064	/nfs/dbraw/zinc/69/50/64/562695064.db2.gz	ULXDJEJVJWXWHJ-UHFFFAOYSA-N	0	1	642.712	8.256	1	5		KKBFMN
COc1cc(-c2c3ccc(cc4ccc([nH]4)c(-c4cc(OC)c(OC)c(OC)c4)c4ccc(cc5ccc2[nH]5)n4)n3)cc(OC)c1OC	ZINC000049938058	562695065	/nfs/dbraw/zinc/69/50/65/562695065.db2.gz	ULXDJEJVJWXWHJ-UHFFFAOYSA-N	0	1	642.712	8.256	1	5		KKBFMN
Cc1ccc(S(=O)(=O)Nc2cc([C@H]3[C@H]([N+](=O)[O-])[C@@H](c4ccccc4Br)CCN3Cc3cccnc3)ccc2O)cc1	ZINC000049946978	562695656	/nfs/dbraw/zinc/69/56/56/562695656.db2.gz	YYAOCCAAAXLVBD-TZFWCWEWSA-N	0	1	637.556	6.035	1	5		KKBFMN
CC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1	ZINC000067809102	562715591	/nfs/dbraw/zinc/71/55/91/562715591.db2.gz	DMBXAIHFQXVVDB-WJOKGBTCSA-N	0	1	653.563	7.741	1	5		KKBFMN
CCN1CCN(C[C@@H]2S[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1	ZINC000082165101	562741337	/nfs/dbraw/zinc/74/13/37/562741337.db2.gz	QYWINVBBKSLXRA-VBTAUBHQSA-N	0	1	736.859	5.018	1	5		KKBFMN
N[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1	ZINC000084742208	562752233	/nfs/dbraw/zinc/75/22/33/562752233.db2.gz	WVHFHFQUVFGDPV-SSRTYMPSSA-N	0	1	635.076	6.900	1	5		KKBFMN
CCN(CC)C(=O)[C@H]1CCCCN1Cc1c(Br)c2cc(OC)c(OC)cc2c2cc(OC)ccc21	ZINC000103203479	562816277	/nfs/dbraw/zinc/81/62/77/562816277.db2.gz	OAYSJFKRZQXYJT-XMMPIXPASA-N	0	1	543.502	6.004	1	5		KKBFMN
COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)[O-]	ZINC000238770600	717163053	/nfs/dbraw/zinc/16/30/53/717163053.db2.gz	BJIBONWGTYBODI-NGYPEZQGSA-N	0	1	638.761	7.175	1	5		KKBFMN
C/C=C1/C[N@+]2([O-])CC[C@@H]3c4ccccc4N4[C@H](C(=O)OC)[C@H]1C[C@H]2[C@]34/C=C/C1=COC[C@@H]2[C@H]1C[C@H]1c3c(c4cc(OC)ccc4n3C)C[C@@H]2N1C	ZINC000255222592	717171717	/nfs/dbraw/zinc/17/17/17/717171717.db2.gz	KGWJLSSPCMIMGI-OGJSBMQUSA-N	0	1	688.869	6.142	1	5		KKBFMN
CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3oc4c(cc(O)c5c4[C@H](O)[C@@H](O)C(C)(C)O5)c3c(=O)c2c1O	ZINC000085756738	291911617	/nfs/dbraw/zinc/91/16/17/291911617.db2.gz	PMRKLKITLXQFHQ-RBJSKKJNSA-N	0	1	536.577	5.392	1	5	biogenic,in-vitro	KKBFMN
CN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)Nc2ccccc2)c1	ZINC000013781326	561729281	/nfs/dbraw/zinc/72/92/81/561729281.db2.gz	JLIDJRGQAIERBG-UHFFFAOYSA-N	0	1	508.574	6.458	1	5		KKBFMN
O=C(CCCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21	ZINC000013820093	561732602	/nfs/dbraw/zinc/73/26/02/561732602.db2.gz	DDYVQERITORIJH-ZLZBJJAKSA-N	0	1	522.715	5.262	1	5		KKBFMN
CC(C)(C)OC(=O)CC[C@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C	ZINC000029242594	562010349	/nfs/dbraw/zinc/01/03/49/562010349.db2.gz	PNEUFCKBRGHZHK-DEOSSOPVSA-N	0	1	687.745	5.004	1	5		KKBFMN
CCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1	ZINC000084652157	562746466	/nfs/dbraw/zinc/74/64/66/562746466.db2.gz	BIWGLWXGEPTCNE-UHFFFAOYSA-N	0	1	516.638	6.516	1	5		KKBFMN
Oc1ccc2c(c1)-c1nc3[nH]c(nc4nc(nc5[nH]c(nc-2n1)c1ccccc15)-c1ccccc1-4)c1ccccc13	ZINC000096905102	562798490	/nfs/dbraw/zinc/79/84/90/562798490.db2.gz	GRHHBRQSUQZMOY-UHFFFAOYSA-N	0	1	530.551	6.575	1	5		KKBFMN
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Br	ZINC000103280242	562823496	/nfs/dbraw/zinc/82/34/96/562823496.db2.gz	SAOXPNKDQWHMJJ-UHFFFAOYSA-N	0	1	509.544	6.095	1	5		KKBFMN
O=c1oc2c(c([O-])c1[C@@H](c1cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c1)C1CC1)CCCCCC2	ZINC000100764562	562807786	/nfs/dbraw/zinc/80/77/86/562807786.db2.gz	IRWZLCPCRDRYIO-XMMPIXPASA-N	0	1	524.595	5.255	1	5		KKBFMN
COc1cc(-c2c3ccc(cc4ccc([nH]4)c(-c4cc(OC)c(OC)c(OC)c4)c4ccc(cc5ccc2[nH]5)n4)n3)cc(OC)c1OC	ZINC000150545350	562844385	/nfs/dbraw/zinc/84/43/85/562844385.db2.gz	BNDKVIZDTGNNTO-UHFFFAOYSA-N	0	1	642.712	8.256	1	5		KKBFMN
COc1cc(-c2c3ccc(cc4ccc(n4)c(-c4cc(OC)c(OC)c(OC)c4)c4ccc(cc5ccc2[nH]5)[nH]4)n3)cc(OC)c1OC	ZINC000150545350	562844386	/nfs/dbraw/zinc/84/43/86/562844386.db2.gz	BNDKVIZDTGNNTO-UHFFFAOYSA-N	0	1	642.712	8.256	1	5		KKBFMN
C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1nn(CCCCNC(=S)Nc3ccc(-c4c5ccc([O-])cc5oc5cc(=O)ccc4-5)c(C(=O)[O-])c3)c3ccccc31)C2	ZINC000150594987	562846568	/nfs/dbraw/zinc/84/65/68/562846568.db2.gz	MHNNUCFPEURPIX-OJXFFNQFSA-N	0	1	758.901	6.830	1	5		KKBFMN
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)[O-])Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3	ZINC000085772793	553686565	/nfs/dbraw/zinc/68/65/65/553686565.db2.gz	XOKSQIGOCSEXEF-HMRFYLJESA-N	0	1	638.761	7.175	1	5		KKBFMN
CCOC(=O)C1=C(Cl)N=C(C)N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000026474096	561790796	/nfs/dbraw/zinc/79/07/96/561790796.db2.gz	WAVBRYFJXCNMAJ-JGCGQSQUSA-N	0	1	641.124	7.376	1	5		KKBFMN
CCOC(=O)C1=C(COCCN(Cc2ccccc2)Cc2ccc(Cl)c(Cl)c2)N=C(C)N(C(=O)OC)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000026478930	561791448	/nfs/dbraw/zinc/79/14/48/561791448.db2.gz	YLSZATVILXMDME-WJOKGBTCSA-N	0	1	669.562	6.979	1	5		KKBFMN
CC1=NC(C)=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1	ZINC000026484103	561792147	/nfs/dbraw/zinc/79/21/47/561792147.db2.gz	DMBXAIHFQXVVDB-HKBQPEDESA-N	0	1	653.563	7.741	1	5		KKBFMN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)C(N(C)C)=N1	ZINC000026484763	561792220	/nfs/dbraw/zinc/79/22/20/561792220.db2.gz	NIHLNHYHDNICJK-PGUFJCEWSA-N	0	1	663.775	7.087	1	5		KKBFMN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccccc2)C(C)=N1	ZINC000026488058	561792768	/nfs/dbraw/zinc/79/27/68/561792768.db2.gz	QYWRMIXNITVJOH-WJOKGBTCSA-N	0	1	584.673	6.435	1	5		KKBFMN
CCc1c2cc3[nH]c(cc4nc(cc5[nH]c(cc(n2)c1CC)c(CC)c5CC)[C@]1(CC)C4=CCC(C(=O)OC)=C1C(=O)OC)c(CC)c3CC	ZINC000028252986	561911163	/nfs/dbraw/zinc/91/11/63/561911163.db2.gz	DOGLGLBLRZBUJE-WBCKFURZSA-N	0	1	674.886	8.745	1	5		KKBFMN
CCc1c2cc3nc(cc4[nH]c(cc5[nH]c(cc(n2)c1CC)c(CC)c5CC)c(CC)c4CC)[C@]1(CC)C3=CCC(C(=O)OC)=C1C(=O)OC	ZINC000028252986	561911165	/nfs/dbraw/zinc/91/11/65/561911165.db2.gz	DOGLGLBLRZBUJE-WBCKFURZSA-N	0	1	674.886	8.745	1	5		KKBFMN
COc1ccc([C@H](c2ccc(OC[C@H](O)CN3CCN(C)CC3)cc2)c2cc3ccccc3c3ccccc32)cc1	ZINC000028529123	561933746	/nfs/dbraw/zinc/93/37/46/561933746.db2.gz	AZMYTHBVRWQUGM-JQMWFGOGSA-N	0	1	546.711	6.169	1	5		KKBFMN
O=[N+]([O-])c1cccc(-c2cc(CN3[C@@H]4CC[C@H]3CN(Cc3ccnc(-c5cccc([N+](=O)[O-])c5)c3)C4)ccn2)c1	ZINC000028707581	561950048	/nfs/dbraw/zinc/95/00/48/561950048.db2.gz	NPDBDOCCYYTVIN-HNRBIFIRSA-N	0	1	536.592	5.476	1	5		KKBFMN
CC(C)(C)OC(=O)CC[C@@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2cc(F)cc(F)c2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C	ZINC000029239361	562009998	/nfs/dbraw/zinc/00/99/98/562009998.db2.gz	OKBOSVKRKIHTKC-XMMPIXPASA-N	0	1	687.745	5.004	1	5		KKBFMN
CC(C)COc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-]	ZINC000031458355	562036225	/nfs/dbraw/zinc/03/62/25/562036225.db2.gz	VSIVXQQCJRHRLJ-UHFFFAOYSA-N	0	1	502.755	6.367	1	5		KKBFMN
CCCCOc1ccc(-n2c3nc4ccccc4n3c3nc(Nc4ccc(N5CCN(C)CC5)cc4)ncc3c2=O)cc1	ZINC000053206633	562696499	/nfs/dbraw/zinc/69/64/99/562696499.db2.gz	KPLCCFOGSKCZSS-UHFFFAOYSA-N	0	1	574.689	5.256	1	5		KKBFMN
CCN(CC)C(=O)[C@@H]1CCCCN1Cc1c(Br)c2cc(OC)c(OC)cc2c2cc(OC)ccc21	ZINC000103203477	562816264	/nfs/dbraw/zinc/81/62/64/562816264.db2.gz	OAYSJFKRZQXYJT-DEOSSOPVSA-N	0	1	543.502	6.004	1	5		KKBFMN
Cc1ccccc1Oc1cc(N2CCN(CC3=C(c4ccc(Cl)cc4)CC(C)(C)CC3)CC2)ccc1C(=O)[N-]S(=O)(=O)c1ccc(NC2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000165224954	562849895	/nfs/dbraw/zinc/84/98/95/562849895.db2.gz	FFHRCTIMPMTQPK-UHFFFAOYSA-N	0	1	841.475	8.760	1	5		KKBFMN
C[NH+]1CCC(Nc2ccc(S(=O)(=O)[N-]C(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)OC5)CC4)cc3Oc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1	ZINC000165299406	562850110	/nfs/dbraw/zinc/85/01/10/562850110.db2.gz	DKSBZPMDKRHXCD-UHFFFAOYSA-N	0	1	863.865	8.093	1	5		KKBFMN
C[NH+]1CCC(Nc2ccc(S(=O)(=O)[N-]C(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)OC5)CC4)cc3Oc3cccc(I)c3)cc2[N+](=O)[O-])CC1	ZINC000165350285	562850140	/nfs/dbraw/zinc/85/01/40/562850140.db2.gz	JFTHAQPXDYZZNJ-UHFFFAOYSA-N	0	1	955.316	8.045	1	5		KKBFMN
C[NH+](C)CCCNc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2ccccc2F)cc1[N+](=O)[O-]	ZINC000165395100	562850196	/nfs/dbraw/zinc/85/01/96/562850196.db2.gz	XRBVTNUARSPHNE-UHFFFAOYSA-N	0	1	833.427	8.448	1	5		KKBFMN
CCCCCC[C@@H]1C[C@H]1CCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000015261742	561752954	/nfs/dbraw/zinc/75/29/54/561752954.db2.gz	JMNXFZCXVGEDAC-TWJOJJKGSA-O	0	1	536.711	5.848	1	5		KKBFMN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)C=N1	ZINC000026470935	561790528	/nfs/dbraw/zinc/79/05/28/561790528.db2.gz	RHSABWKNCZHQRT-UUWRZZSWSA-N	0	1	620.706	7.198	1	5		KKBFMN
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccccc2)C(C(F)(F)F)=N1	ZINC000026484854	561792252	/nfs/dbraw/zinc/79/22/52/561792252.db2.gz	REZGJCFSFINHNY-LJAQVGFWSA-N	0	1	638.643	6.977	1	5		KKBFMN
CCCCOC(=O)C1=C(C)N=C(C)N(C(=O)OCCN(Cc2ccccc2)Cc2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000026488052	561792764	/nfs/dbraw/zinc/79/27/64/561792764.db2.gz	QHJBPBGHUZOENL-YTTGMZPUSA-N	0	1	598.700	6.826	1	5		KKBFMN
COc1ccc([C@@H](c2ccc(OC[C@H](O)CN3CCN(Cc4ccccc4)CC3)cc2)c2cc3ccccc3c3ccccc32)cc1	ZINC000028529290	561933907	/nfs/dbraw/zinc/93/39/07/561933907.db2.gz	YAWPPIAPUSJCAG-DFABAFTESA-N	0	1	622.809	7.739	1	5		KKBFMN
O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)c(C(=O)c2ccccc2)c1	ZINC000028638588	561942349	/nfs/dbraw/zinc/94/23/49/561942349.db2.gz	OMCKAIMGTICWQC-GVAOBULLSA-N	0	1	737.857	8.368	1	5		KKBFMN
COc1cccc(-c2c3ccc(n3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)c1	ZINC000049778370	562681215	/nfs/dbraw/zinc/68/12/15/562681215.db2.gz	VXODFODGPYBQOF-UHFFFAOYSA-N	0	1	644.778	11.547	1	5		KKBFMN
O=C(Nc1ccc(-c2nc3ccc(-c4nc5cc(NC(=O)c6ccccc6[N+](=O)[O-])ccc5[nH]4)cc3[nH]2)cc1)c1ccccc1[N+](=O)[O-]	ZINC000049918050	562694378	/nfs/dbraw/zinc/69/43/78/562694378.db2.gz	VMHKSARNUYRCPZ-UHFFFAOYSA-N	0	1	638.600	7.094	1	5		KKBFMN
O=C(Nc1ccc(-c2nc3cc(-c4nc5ccc(NC(=O)c6ccccc6[N+](=O)[O-])cc5[nH]4)ccc3[nH]2)cc1)c1ccccc1[N+](=O)[O-]	ZINC000049918050	562694379	/nfs/dbraw/zinc/69/43/79/562694379.db2.gz	VMHKSARNUYRCPZ-UHFFFAOYSA-N	0	1	638.600	7.094	1	5		KKBFMN
CN1CCN(c2ccc(Nc3ncc4c(=O)n(-c5c(Cl)cccc5Cl)c5nc6ccccc6n5c4n3)cc2)CC1	ZINC000053206571	562696483	/nfs/dbraw/zinc/69/64/83/562696483.db2.gz	NERIOWKHAYAGPO-UHFFFAOYSA-N	0	1	571.472	5.384	1	5		KKBFMN
O=[N+]([O-])c1cccc2c(Oc3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4Br)cc3)ccnc21	ZINC000072175163	562731318	/nfs/dbraw/zinc/73/13/18/562731318.db2.gz	KOTURJYSWOVWCK-UHFFFAOYSA-N	0	1	568.327	6.517	1	5		KKBFMN
O=C1CCCN1c1c2ccc(n2)c(-c2ccccc2)c2ccc(n2)c(Br)c2ccc([nH]2)c(-c2ccccc2)c2ccc1[nH]2	ZINC000096914194	562800740	/nfs/dbraw/zinc/80/07/40/562800740.db2.gz	KLBQBNGSKHRAMA-UHFFFAOYSA-N	0	1	624.542	9.093	1	5		KKBFMN
O=C1CCCN1c1c2ccc(n2)c(-c2ccccc2)c2ccc([nH]2)c(Br)c2ccc(n2)c(-c2ccccc2)c2ccc1[nH]2	ZINC000096914194	562800741	/nfs/dbraw/zinc/80/07/41/562800741.db2.gz	KLBQBNGSKHRAMA-UHFFFAOYSA-N	0	1	624.542	9.093	1	5		KKBFMN
CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1NC(=O)c1ccc(CN2CCN(C)CC2)cc1	ZINC000096928305	562802871	/nfs/dbraw/zinc/80/28/71/562802871.db2.gz	WWENZQRXUNKHJQ-UHFFFAOYSA-N	0	1	659.143	5.873	1	5		KKBFMN
c1c2cc3ccc4cc5c6c7c(cc8ccc9c%10c%11c(c1[C@H]9N1CCOCCOCCOCCOCCOCC1)c2c1c(c%11c7c%108)c6c4c13)C5	ZINC000150632486	562848980	/nfs/dbraw/zinc/84/89/80/562848980.db2.gz	WUKRAMDLHBROAJ-SJARJILFSA-N	0	1	657.766	8.398	1	5		KKBFMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Nc3c4ccccc4nc4ccc(Cl)cc43)cc2)cc1	ZINC000653779561	562912037	/nfs/dbraw/zinc/91/20/37/562912037.db2.gz	XRQGCYGXORPVFM-UHFFFAOYSA-N	0	1	504.955	5.916	1	5		KKBFMN
O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000023968607	561762248	/nfs/dbraw/zinc/76/22/48/561762248.db2.gz	RPVOWJQJQLLGEI-IBGZPJMESA-N	0	1	505.518	5.925	3	5		KKBFMN
COc1cc2c3cnc4cc5c(cc4c3n(CCN(Cc3ccccc3)Cc3ccccc3)c(=O)c2cc1OC)OCO5	ZINC000028521099	561929217	/nfs/dbraw/zinc/92/92/17/561929217.db2.gz	ZTQAXIHDOOYUQS-UHFFFAOYSA-N	0	1	573.649	6.151	1	5		KKBFMN
COc1ccc([C@@H](c2ccc(OC[C@H](O)CN3CCN(C)CC3)cc2)c2cc3ccccc3c3ccccc32)cc1	ZINC000028529121	561933715	/nfs/dbraw/zinc/93/37/15/561933715.db2.gz	AZMYTHBVRWQUGM-ZADIWHOSSA-N	0	1	546.711	6.169	1	5		KKBFMN
Fc1cccc(-c2c3ccc(n3)c(-c3cccc(F)c3)c3ccc([nH]3)c(-c3cccc(F)c3)c3ccc(n3)c(-c3cccc(F)c3)c3ccc2[nH]3)c1	ZINC000029224369	562007860	/nfs/dbraw/zinc/00/78/60/562007860.db2.gz	DOEPDUMCRVDMIR-UHFFFAOYSA-N	0	1	686.712	12.094	1	5		KKBFMN
Cc1c(=O)[nH]c(SCc2ccc([N+](=O)[O-])cc2)nc1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000040898757	562083254	/nfs/dbraw/zinc/08/32/54/562083254.db2.gz	RRGMLMFYBRWIPY-UHFFFAOYSA-N	0	1	503.424	5.907	1	5		KKBFMN
CCOC(=O)C1=Cc2c3nc(cc4[nH]c(cc5nc(cc6[nH]c2c(C)c6CC)c(C)c5CC)c(C)c4CC)[C@H](C)[C@]31CC	ZINC000058537885	562698730	/nfs/dbraw/zinc/69/87/30/562698730.db2.gz	RISACXCZQWMDFI-QSSUKDSPSA-N	0	1	576.785	8.616	1	5		KKBFMN
CCOC(=O)C1=Cc2c3nc(cc4[nH]c(cc5[nH]c(cc6nc2[C@@]1(CC)[C@H]6C)c(CC)c5C)c(CC)c4C)c(CC)c3C	ZINC000058537885	562698731	/nfs/dbraw/zinc/69/87/31/562698731.db2.gz	RISACXCZQWMDFI-QSSUKDSPSA-N	0	1	576.785	8.616	1	5		KKBFMN
CCCCn1c(=O)c2cc(OC)ccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)c(OC)c(OC)c21	ZINC000071318466	562718527	/nfs/dbraw/zinc/71/85/27/562718527.db2.gz	KAQNQZMFWQONGS-UHFFFAOYSA-N	0	1	507.427	5.293	1	5		KKBFMN
CCN1CCN(C[C@H]2S[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1	ZINC000082165094	562741382	/nfs/dbraw/zinc/74/13/82/562741382.db2.gz	QYWINVBBKSLXRA-FJQKOURKSA-N	0	1	736.859	5.018	1	5		KKBFMN
O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@H](O)CN3CCCCC3)c(Cc3ccccc3)cc2c1	ZINC000096907319	562799073	/nfs/dbraw/zinc/79/90/73/562799073.db2.gz	ULLCZRZRMLOTFB-HHHXNRCGSA-N	0	1	501.558	6.185	1	5		KKBFMN
CCN(CC)C(=O)[C@@H]1CCCN1Cc1c(Br)c2ccc(OC)c(Br)c2c2cc(OC)c(OC)cc21	ZINC000103174189	562815023	/nfs/dbraw/zinc/81/50/23/562815023.db2.gz	FMDSQPJLTLTJCK-FQEVSTJZSA-N	0	1	608.371	6.377	1	5		KKBFMN
C[NH+](C)CCCNc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2cccc(F)c2)cc1[N+](=O)[O-]	ZINC000165368545	562850148	/nfs/dbraw/zinc/85/01/48/562850148.db2.gz	NSZGQMXEWICLQV-UHFFFAOYSA-N	0	1	833.427	8.448	1	5		KKBFMN
CCOC(=O)C1=Cc2c3nc(cc4[nH]c(cc5nc(cc6[nH]c2c(CC)c6CC)c(CC)c5CC)c(CC)c4CC)[C@@H](CC)[C@@]31CC	ZINC000169358247	562863983	/nfs/dbraw/zinc/86/39/83/562863983.db2.gz	KZRLWZDZXYKABK-MHBRKDDOSA-N	0	1	632.893	9.769	1	5		KKBFMN
CCOC(=O)C1=Cc2c3nc(cc4[nH]c(cc5[nH]c(cc6nc2[C@]1(CC)[C@@H]6CC)c(CC)c5CC)c(CC)c4CC)c(CC)c3CC	ZINC000169358247	562863984	/nfs/dbraw/zinc/86/39/84/562863984.db2.gz	KZRLWZDZXYKABK-MHBRKDDOSA-N	0	1	632.893	9.769	1	5		KKBFMN
C[C@]12CC[C@@H]3c4ccc(O)c([N+](=O)[O-])c4CC[C@H]3[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000474607912	562905454	/nfs/dbraw/zinc/90/54/54/562905454.db2.gz	KMUCTAPQLOLMHH-STDWZSPESA-N	0	1	524.561	5.522	1	5		KKBFMN
CCCCCC[C@H]1C[C@@H]1CCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000015261741	717111197	/nfs/dbraw/zinc/11/11/97/717111197.db2.gz	JMNXFZCXVGEDAC-KKUQBAQOSA-O	0	1	536.711	5.848	1	5		KKBFMN
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CC[N+]1(C)[O-]	ZINC000140959361	717152036	/nfs/dbraw/zinc/15/20/36/717152036.db2.gz	RNMAGZPLDYDSJT-YVSHNDLJSA-N	0	1	622.718	6.887	1	5		KKBFMN
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@+]1(C)[O-])Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3	ZINC000299806834	717180392	/nfs/dbraw/zinc/18/03/92/717180392.db2.gz	XOKSQIGOCSEXEF-DUSKGIEQSA-N	0	1	638.761	7.175	1	5		KKBFMN
O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000023968605	561762389	/nfs/dbraw/zinc/76/23/89/561762389.db2.gz	RPVOWJQJQLLGEI-LJQANCHMSA-N	0	1	505.518	5.925	3	5		KKBFMN
COC(C/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1)OC	ZINC000027646574	561875896	/nfs/dbraw/zinc/87/58/96/561875896.db2.gz	LUJRCQYMCVCAET-UQRQXUALSA-N	0	1	519.432	6.700	1	5		KKBFMN
COc1cccc(-n2c(=O)c3c(CN(C)Cc4ccccc4)c(-c4ccc([N+](=O)[O-])cc4)sc3n(Cc3c(F)cccc3F)c2=O)c1	ZINC000028242478	561910507	/nfs/dbraw/zinc/91/05/07/561910507.db2.gz	ZDTLUZMODJQJLO-UHFFFAOYSA-N	0	1	654.695	6.756	1	5		KKBFMN
O=[N+]([O-])c1ccc(-c2cc(CN3[C@@H]4CC[C@H]3CN(Cc3ccnc(-c5ccc([N+](=O)[O-])cc5)c3)C4)ccn2)cc1	ZINC000028707578	561950029	/nfs/dbraw/zinc/95/00/29/561950029.db2.gz	FUTLWZGYIXQWAE-HNRBIFIRSA-N	0	1	536.592	5.476	1	5		KKBFMN
C[N+]1(CCO[P@](=O)([O-])OCCCCCC2CCCCCCCCCCCCCC2)CCCCC1	ZINC000029133993	562003775	/nfs/dbraw/zinc/00/37/75/562003775.db2.gz	BRIUTWFHOXDQNM-UHFFFAOYSA-O	0	1	502.741	8.402	1	5		KKBFMN
N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1	ZINC000029314831	562012343	/nfs/dbraw/zinc/01/23/43/562012343.db2.gz	BKJASAVKMLVXAX-YGUKWBMBSA-N	0	1	600.631	6.246	1	5		KKBFMN
N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1	ZINC000029320331	562012899	/nfs/dbraw/zinc/01/28/99/562012899.db2.gz	HRKYQBGXXFFONM-SSRTYMPSSA-N	0	1	668.628	7.265	1	5		KKBFMN
CN(C)c1nc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])c(Cl)cc1C(F)(F)F	ZINC000031501452	562036218	/nfs/dbraw/zinc/03/62/18/562036218.db2.gz	IQWKYBOMDVHGMG-UHFFFAOYSA-N	0	1	508.162	6.052	1	5		KKBFMN
CCCCCC[C@@H]1C[C@@H]1CCCCCCCCCC(=O)OC[C@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000034178168	562038357	/nfs/dbraw/zinc/03/83/57/562038357.db2.gz	JMNXFZCXVGEDAC-ZNZIZOMTSA-O	0	1	536.711	5.848	1	5		KKBFMN
O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000040865937	562081307	/nfs/dbraw/zinc/08/13/07/562081307.db2.gz	BLIVHEHDCFYGMI-UHFFFAOYSA-N	0	1	500.747	5.608	1	5		KKBFMN
CC1(CN2C(=O)S/C(=C\c3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)C2=O)CCCCC1	ZINC000045358951	562661982	/nfs/dbraw/zinc/66/19/82/562661982.db2.gz	TWLXALMZQJPFFI-QNGOZBTKSA-N	0	1	515.613	5.402	1	5		KKBFMN
COc1ccc(-c2cc3[nH]c2c(-c2ccccc2)c2ccc(n2)c(-c2ccccc2)c2ccc(n2)c(-c2ccccc2)c2ccc([nH]2)c3-c2ccccc2)cc1	ZINC000082191494	562742697	/nfs/dbraw/zinc/74/26/97/562742697.db2.gz	WYVYHKKJFQHISQ-UHFFFAOYSA-N	0	1	720.876	13.214	1	5		KKBFMN
CN(CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1	ZINC000084654382	562747244	/nfs/dbraw/zinc/74/72/44/562747244.db2.gz	UAAXSLDYQFFMML-UHFFFAOYSA-N	0	1	579.697	6.744	1	5		KKBFMN
CCCCOC(=O)C1=C(C)N=C(C)N(C(=O)OCCN(Cc2ccccc2)Cc2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000095544035	562757600	/nfs/dbraw/zinc/75/76/00/562757600.db2.gz	QHJBPBGHUZOENL-JGCGQSQUSA-N	0	1	598.700	6.826	1	5		KKBFMN
CC(C)(C)NC(=O)COC(=O)c1ccc(-c2c3ccc(n3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)cc1	ZINC000095572174	562769341	/nfs/dbraw/zinc/76/93/41/562769341.db2.gz	GSQODJVWASBPPK-UHFFFAOYSA-N	0	1	771.921	11.610	1	5		KKBFMN
O=c1c2ccccc2c2c1c(-c1ccccc1)c1c(=O)n(CCCCN3CCN(c4ccccc4F)CC3)c(=O)c1c2-c1ccccc1	ZINC000096929811	562803148	/nfs/dbraw/zinc/80/31/48/562803148.db2.gz	QWWOOJDKMCPGRW-UHFFFAOYSA-N	0	1	635.739	6.979	1	5		KKBFMN
O=c1c2ccccc2c2c1c(-c1ccccc1)c1c(=O)n(CCCCN3CCN(c4ccccc4Cl)CC3)c(=O)c1c2-c1ccccc1	ZINC000096929814	562803159	/nfs/dbraw/zinc/80/31/59/562803159.db2.gz	UECFQLOWVUIEIO-UHFFFAOYSA-N	0	1	652.194	7.494	1	5		KKBFMN
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncc(Br)cc1Br	ZINC000103280182	562823446	/nfs/dbraw/zinc/82/34/46/562823446.db2.gz	AUKYCYLMAVUDJT-UHFFFAOYSA-N	0	1	520.443	5.839	1	5		KKBFMN
O=c1cc2occ(-c3ccc(C(F)(F)F)cc3)c(=O)c2c2occ(-c3ccc(C(F)(F)F)cc3)c(O)c1-2	ZINC000653916402	562917924	/nfs/dbraw/zinc/91/79/24/562917924.db2.gz	QZWACXVSFFFKSM-UHFFFAOYSA-N	0	1	518.365	6.977	1	5		KKBFMN
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)[O-])Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3	ZINC000042852063	565111749	/nfs/dbraw/zinc/11/17/49/565111749.db2.gz	XOKSQIGOCSEXEF-NGYPEZQGSA-N	0	1	638.761	7.175	1	5	biogenic,in-vitro	KKBFMN