smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1c(C)nc(C)c(C(=O)OC(C)(C)C[N@H+](C)CCC(c2ccccc2)c2ccccc2)c1-c1cccc([N+](=O)[O-])c1	ZINC000097978539	1069692647	/nfs/dbraw/zinc/69/26/47/1069692647.db2.gz	JIWNIVBUTXSUBK-UHFFFAOYSA-N	1	0	609.723	7.150	40	5		KKBBRO
CC(C)Oc1cccc(C(=O)CN2CCC[C@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1	ZINC000200049129	1069723250	/nfs/dbraw/zinc/72/32/50/1069723250.db2.gz	IVKFRDOJMJDKJU-GAQXSTBRSA-N	1	0	620.685	8.340	40	5		KKBBRO
CC(C)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1	ZINC000102370251	1071307325	/nfs/dbraw/zinc/30/73/25/1071307325.db2.gz	HPEVXTCHWZUTIR-LRXFEKEMSA-N	1	0	599.643	6.364	40	5		KKBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c(Cl)c1	ZINC000016385809	553562058	/nfs/dbraw/zinc/56/20/58/553562058.db2.gz	YCDTYXKTHLIMKO-UHFFFAOYSA-N	1	0	515.224	6.989	40	5		KKBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1cccnc1	ZINC000022107287	553725731	/nfs/dbraw/zinc/72/57/31/553725731.db2.gz	NPDXUVJBTMAOGS-UHFFFAOYSA-N	1	0	521.799	5.195	40	5		KKBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000105251069	571392248	/nfs/dbraw/zinc/39/22/48/571392248.db2.gz	RQPBTEOCLIDHMJ-UHFFFAOYSA-N	1	0	559.277	7.388	40	5		KKBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1	ZINC000105249238	571392295	/nfs/dbraw/zinc/39/22/95/571392295.db2.gz	ANZNTXZIJSFCDA-UHFFFAOYSA-N	1	0	525.230	6.445	40	5		KKBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	ZINC000105251011	571392344	/nfs/dbraw/zinc/39/23/44/571392344.db2.gz	HNRSCUYBNDLTKB-UHFFFAOYSA-N	1	0	603.728	7.497	40	5		KKBBRO
O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000105318434	571400786	/nfs/dbraw/zinc/40/07/86/571400786.db2.gz	VWCTZIFFRKRGTJ-UHFFFAOYSA-N	1	0	541.633	5.304	40	5		KKBBRO
Cn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(/N=c4\ccn(C)c5ccc([N+](=O)[O-])cc54)cc3[N+](=O)[O-])cc2)cc1	ZINC000001559443	551684292	/nfs/dbraw/zinc/68/42/92/551684292.db2.gz	WCAXYNQWNUORFD-GKPLWNPISA-N	1	0	549.547	5.050	40	5		KKBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000016196309	553556648	/nfs/dbraw/zinc/55/66/48/553556648.db2.gz	SMZXLBSKXNOEMA-UHFFFAOYSA-N	1	0	510.805	6.344	40	5		KKBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)cc1Cl	ZINC000016214704	553556837	/nfs/dbraw/zinc/55/68/37/553556837.db2.gz	GLWPQWLPJKCEQB-UHFFFAOYSA-N	1	0	510.805	6.344	40	5		KKBBRO
CCC[NH+](CCC)C[C@@H](O)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(Cl)c(Cl)cc21	ZINC000104205174	562825121	/nfs/dbraw/zinc/82/51/21/562825121.db2.gz	MDEZWUCWFGHWMB-OAQYLSRUSA-N	1	0	526.348	8.493	40	5		KKBBRO
Cc1ccc(NCCCN2CCN(CCCNc3ccc(C)c4sc5ccccc5c(=O)c34)CC2)c2c(=O)c3ccccc3sc12	ZINC000150421641	562843382	/nfs/dbraw/zinc/84/33/82/562843382.db2.gz	ZCEQSFLZLVZRGS-UHFFFAOYSA-N	1	0	648.898	7.681	40	5		KKBBRO
CCCC[NH+](CCCC)CCNc1ccc(NS(=O)(=O)c2ccccc2)c2sc3ccccc3c(=O)c12	ZINC000004522227	552462628	/nfs/dbraw/zinc/46/26/28/552462628.db2.gz	HNLXMYJBRLQRKH-UHFFFAOYSA-N	1	0	537.751	6.530	40	5		KKBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl	ZINC000016195770	553556650	/nfs/dbraw/zinc/55/66/50/553556650.db2.gz	VXVJTNGTXWBROE-UHFFFAOYSA-N	1	0	520.811	5.800	40	5		KKBBRO
CCOc1c(Br)cc(Br)cc1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000016688071	553572846	/nfs/dbraw/zinc/57/28/46/553572846.db2.gz	PSTYYNVKKOBOOB-UHFFFAOYSA-N	1	0	507.610	5.374	40	5		KKBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1	ZINC000016688611	553573274	/nfs/dbraw/zinc/57/32/74/553573274.db2.gz	OVIHFVSNMMBOGM-UHFFFAOYSA-N	1	0	500.393	5.537	40	5		KKBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl	ZINC000105249231	571392350	/nfs/dbraw/zinc/39/23/50/571392350.db2.gz	FLJUSVDEOWUYFG-UHFFFAOYSA-N	1	0	534.838	6.190	40	5		KKBBRO
O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000105318483	571400878	/nfs/dbraw/zinc/40/08/78/571400878.db2.gz	HPAYDHOCLLZOMN-UHFFFAOYSA-N	1	0	541.633	5.304	40	5		KKBBRO
COc1c2c(cc3c1[C@@H](CC(=O)[C@H]1CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]14C)[N+](C)(C)CC3)OCO2	ZINC000118920373	571445780	/nfs/dbraw/zinc/44/57/80/571445780.db2.gz	ZZXJOMSIUOUAHV-LDHDYSPKSA-N	1	0	550.760	5.997	40	5		KKBBRO
O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cc[nH+]cc3)cc2)cc1	ZINC000224764487	571615032	/nfs/dbraw/zinc/61/50/32/571615032.db2.gz	URXACJYSYMMQKK-NSOVKSMOSA-N	1	0	550.669	6.504	40	5		KKBBRO
CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@H](O)C[N@@+](C)(Cc2ccccc2)C2CCCCC2)cc1	ZINC000245240287	572213850	/nfs/dbraw/zinc/21/38/50/572213850.db2.gz	PRONGAWLQZADHF-KAODMTDESA-N	1	0	510.783	7.136	40	5		KKBBRO
CCn1cc(-c2ccnc3c2cc(-c2cccc(C[NH+](C)C)c2)n3S(=O)(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000100455143	1069697493	/nfs/dbraw/zinc/69/74/93/1069697493.db2.gz	PFAZESHYUFDGEW-UHFFFAOYSA-N	1	0	606.708	6.461	40	5		KKBBRO
COc1cc([C@@H](C)Oc2ccc(C(c3ccc(OCC[NH+](C)C)cc3)=C3CCCCC3)cc2)c([N+](=O)[O-])cc1OC	ZINC000205365424	1069726747	/nfs/dbraw/zinc/72/67/47/1069726747.db2.gz	LEWSIOIRJFVOOD-HSZRJFAPSA-N	1	0	560.691	7.458	40	5		KKBBRO
COc1cccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000016228243	553557486	/nfs/dbraw/zinc/55/74/86/553557486.db2.gz	KZKCWOTXWXLHHO-UHFFFAOYSA-N	1	0	510.805	6.344	40	5		KKBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2cc(Br)ccc2OCc2ccc(F)cc2)c(Cl)c1	ZINC000016401809	553562820	/nfs/dbraw/zinc/56/28/20/553562820.db2.gz	AZUFQDQNJYBYJI-UHFFFAOYSA-N	1	0	508.775	5.931	40	5		KKBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccccc1F	ZINC000016688745	553573185	/nfs/dbraw/zinc/57/31/85/553573185.db2.gz	LIIUWXMRTHUXJD-UHFFFAOYSA-N	1	0	508.377	6.220	40	5		KKBBRO
CC1=C[C@@H](C[NH+]2CCN(c3ccccn3)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000067890464	554534856	/nfs/dbraw/zinc/53/48/56/554534856.db2.gz	UOSYVFRWBOOBRZ-GNKBHMEESA-N	1	0	516.646	5.259	40	5	biogenic,in-vitro	KKBBRO
CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CC[NH+](Cc5ccccc5)CC4)c3)CC2)cc1	ZINC000101104260	554639766	/nfs/dbraw/zinc/63/97/66/554639766.db2.gz	VKDBGFAGBJMRKW-UHFFFAOYSA-N	1	0	541.696	5.177	40	5		KKBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl	ZINC000105250881	571392346	/nfs/dbraw/zinc/39/23/46/571392346.db2.gz	FXCGVLGPLQLMAN-UHFFFAOYSA-N	1	0	589.701	7.107	40	5		KKBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000105250868	571392370	/nfs/dbraw/zinc/39/23/70/571392370.db2.gz	HOHAYGCKXCAQRP-UHFFFAOYSA-N	1	0	555.256	6.453	40	5		KKBBRO
O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cc[nH+]cc3)cc2)cc1	ZINC000224764582	571615040	/nfs/dbraw/zinc/61/50/40/571615040.db2.gz	URXACJYSYMMQKK-WUFINQPMSA-N	1	0	550.669	6.504	40	5		KKBBRO
Cc1ccc(C[N+]2(C[C@@H](O)COCCOc3ccc(C(C)(C)CC(C)(C)C)cc3)CCCCCC2)cc1	ZINC000226069570	572125115	/nfs/dbraw/zinc/12/51/15/572125115.db2.gz	IEFTXZXWILRBPG-SSEXGKCCSA-N	1	0	510.783	7.056	40	5		KKBBRO
O=C(c1cccs1)[C@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12	ZINC000103534404	1071308839	/nfs/dbraw/zinc/30/88/39/1071308839.db2.gz	HZJJTVSUAGHUPD-QSNJERLUSA-N	1	0	547.592	5.638	40	5		KKBBRO
C=C/C=C(\C=C)[C@H](CC[N@@H+](C)CC(C)(C)OC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000936069038	1072828859	/nfs/dbraw/zinc/82/88/59/1072828859.db2.gz	YKEREWIYGUSPGG-KXVAQBEZSA-N	1	0	613.755	6.729	40	5		KKBBRO
O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc32)cc1[N+](=O)[O-]	ZINC000005011932	552491916	/nfs/dbraw/zinc/49/19/16/552491916.db2.gz	YUOOWNPVFAMPNZ-UHFFFAOYSA-N	1	0	521.493	6.186	40	5		KKBBRO
C[C@@H](/[NH+]=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1)c1ccccc1	ZINC000104266819	571378062	/nfs/dbraw/zinc/37/80/62/571378062.db2.gz	VFKUFQIZGDLVQP-RJDAJXPISA-N	1	0	535.478	8.843	40	5		KKBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1F	ZINC000105251030	571392266	/nfs/dbraw/zinc/39/22/66/571392266.db2.gz	IPRBXWGWANJBGJ-UHFFFAOYSA-N	1	0	552.828	6.329	40	5		KKBBRO
CC[NH+](CC)CCCN(CC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000003811823	552418627	/nfs/dbraw/zinc/41/86/27/552418627.db2.gz	ZZRUNKWLFOCIGS-UHFFFAOYSA-N	1	0	500.684	5.263	40	5	investigational	KKBBRO
CC(=O)O[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[n+]1ccc(-c2ccccc2)cc1-c1ccccc1	ZINC000015770759	553536252	/nfs/dbraw/zinc/53/62/52/553536252.db2.gz	KZEOSNCVEJHRNN-SAIUNTKASA-N	1	0	515.589	7.110	40	5		KKBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1c(Cl)cccc1Cl	ZINC000016196259	553556639	/nfs/dbraw/zinc/55/66/39/553556639.db2.gz	DJRNXFNZCYDNPV-UHFFFAOYSA-N	1	0	510.805	6.344	40	5		KKBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)c(Cl)c1	ZINC000105250899	571392262	/nfs/dbraw/zinc/39/22/62/571392262.db2.gz	DPDMEJSYDRBIRH-UHFFFAOYSA-N	1	0	530.839	7.489	40	5		KKBBRO
COc1c2c(cc3c1[C@H](CC(=O)[C@H]1CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]14C)[N+](C)(C)CC3)OCO2	ZINC000118920374	571445783	/nfs/dbraw/zinc/44/57/83/571445783.db2.gz	ZZXJOMSIUOUAHV-GPYLCJDESA-N	1	0	550.760	5.997	40	5		KKBBRO
O=C(CN(Cc1ccc(Cl)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1)Nc1c(Br)cc([N+](=O)[O-])cc1Br	ZINC000150405640	571479370	/nfs/dbraw/zinc/47/93/70/571479370.db2.gz	GQZMHCBDMOLFIW-NRFANRHFSA-N	1	0	642.688	5.856	40	5		KKBBRO
CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N+]2(Cc3ccc(F)cc3)CCCCCC2)c(C(C)(C)C)c1	ZINC000226070331	572125657	/nfs/dbraw/zinc/12/56/57/572125657.db2.gz	YXSNWSADRLBBNO-NDEPHWFRSA-N	1	0	514.746	6.768	40	5		KKBBRO
CC(C)(C)c1ccc(OCCOC[C@H](O)C[N@@+](C)(Cc2ccccc2)C2CCCCC2)c(C(C)(C)C)c1	ZINC000245240527	572214051	/nfs/dbraw/zinc/21/40/51/572214051.db2.gz	ZKKOEEJLMHFPLK-ANHUGMMASA-N	1	0	510.783	7.017	40	5		KKBBRO
COc1cc2c[n+](C)c3c(cc(OCc4ccccc4)c4cc(OCc5ccccc5)c(OC)cc43)c2cc1OC	ZINC000001584871	551685316	/nfs/dbraw/zinc/68/53/16/551685316.db2.gz	MJHVZBQYEARUBT-UHFFFAOYSA-N	1	0	546.643	7.155	40	5		KKBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(F)cc1	ZINC000016195524	553556365	/nfs/dbraw/zinc/55/63/65/553556365.db2.gz	HESCDWSVCYEMJE-UHFFFAOYSA-N	1	0	504.356	5.286	40	5		KKBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000016195446	553556434	/nfs/dbraw/zinc/55/64/34/553556434.db2.gz	NHMOFLQJXDLIPS-UHFFFAOYSA-N	1	0	520.811	5.800	40	5		KKBBRO
O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000059294341	554387723	/nfs/dbraw/zinc/38/77/23/554387723.db2.gz	YCRNJNQDMONGHD-UHFFFAOYSA-N	1	0	507.015	6.037	40	5		KKBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)cc1Cl	ZINC000105250937	571392352	/nfs/dbraw/zinc/39/23/52/571392352.db2.gz	YPEHGVCQXMACBB-UHFFFAOYSA-N	1	0	524.832	6.734	40	5		KKBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)c(Cl)c1	ZINC000105250979	571392361	/nfs/dbraw/zinc/39/23/61/571392361.db2.gz	RXDKQFZNZPSUAH-UHFFFAOYSA-N	1	0	525.230	6.445	40	5		KKBBRO
O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cc[nH+]cc3)cc2)cc1	ZINC000224764621	571615016	/nfs/dbraw/zinc/61/50/16/571615016.db2.gz	URXACJYSYMMQKK-VSGBNLITSA-N	1	0	550.669	6.504	40	5		KKBBRO
C[N+](C)(CCCCCCOc1c(Br)cc(Br)cc1Br)Cc1ccc(Br)o1	ZINC000005492673	552503325	/nfs/dbraw/zinc/50/33/25/552503325.db2.gz	MTVJDRPZFGCKST-UHFFFAOYSA-N	1	0	618.022	7.545	40	5		KKBBRO
CC(=O)O[C@H](c1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[n+]1ccc(-c2ccccc2)cc1-c1ccccc1	ZINC000015770761	553536241	/nfs/dbraw/zinc/53/62/41/553536241.db2.gz	KZEOSNCVEJHRNN-JHOUSYSJSA-N	1	0	515.589	7.110	40	5		KKBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000016195487	553556378	/nfs/dbraw/zinc/55/63/78/553556378.db2.gz	SQTISJAWRRPIGI-UHFFFAOYSA-N	1	0	510.805	6.344	40	5		KKBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2cc(Br)ccc2OCc2ccccc2F)c(Cl)c1	ZINC000016449980	553565159	/nfs/dbraw/zinc/56/51/59/553565159.db2.gz	LTDITIZOCRSJCV-UHFFFAOYSA-N	1	0	508.775	5.931	40	5		KKBBRO
Cn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(/N=c4\ccn(C)c5ccc([N+](=O)[O-])cc54)cc3)cc2)cc1	ZINC000018057104	553602490	/nfs/dbraw/zinc/60/24/90/553602490.db2.gz	SDVVSJQTYKFAFR-TVKQRKNISA-N	1	0	504.550	5.142	40	5		KKBBRO
CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1	ZINC000103288082	571361562	/nfs/dbraw/zinc/36/15/62/571361562.db2.gz	RWNXCLOGXUGYJO-LRXFEKEMSA-N	1	0	599.643	6.365	40	5		KKBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000105251056	571392270	/nfs/dbraw/zinc/39/22/70/571392270.db2.gz	KBKLZWQTLHBSMT-UHFFFAOYSA-N	1	0	524.832	6.734	40	5		KKBBRO
O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000105318459	571400799	/nfs/dbraw/zinc/40/07/99/571400799.db2.gz	QWGZOMHXFAKYEP-UHFFFAOYSA-N	1	0	558.708	5.034	40	5		KKBBRO
O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cc[nH+]cc3)cc2)cc1	ZINC000224764539	571615047	/nfs/dbraw/zinc/61/50/47/571615047.db2.gz	URXACJYSYMMQKK-IZLXSDGUSA-N	1	0	550.669	6.504	40	5		KKBBRO
Cc1ccc(C[N+]2(C[C@H](O)COCCOc3ccc(C(C)(C)CC(C)(C)C)cc3)CCCCCC2)cc1	ZINC000226069584	572125177	/nfs/dbraw/zinc/12/51/77/572125177.db2.gz	IEFTXZXWILRBPG-PMERELPUSA-N	1	0	510.783	7.056	40	5		KKBBRO
CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@H](O)C[N@+](C)(Cc2ccccc2)C2CCCCC2)cc1	ZINC000245240286	572213728	/nfs/dbraw/zinc/21/37/28/572213728.db2.gz	PRONGAWLQZADHF-HKFHRXRESA-N	1	0	510.783	7.136	40	5		KKBBRO
CC(=O)O[C@H](c1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[n+]1ccc(-c2ccccc2)cc1-c1ccccc1	ZINC000015770757	553536208	/nfs/dbraw/zinc/53/62/08/553536208.db2.gz	KZEOSNCVEJHRNN-CZNDPXEESA-N	1	0	515.589	7.110	40	5		KKBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000105249218	571392286	/nfs/dbraw/zinc/39/22/86/571392286.db2.gz	PNEHKGHBPYWUNW-UHFFFAOYSA-N	1	0	534.838	6.190	40	5		KKBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(Cl)c1	ZINC000105251005	571392326	/nfs/dbraw/zinc/39/23/26/571392326.db2.gz	LZKHMSOMXGCKOQ-UHFFFAOYSA-N	1	0	559.675	7.098	40	5		KKBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	ZINC000105249244	571392357	/nfs/dbraw/zinc/39/23/57/571392357.db2.gz	AMRMNPQYVUDPGK-UHFFFAOYSA-N	1	0	569.283	6.844	40	5		KKBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1F	ZINC000105251049	571392365	/nfs/dbraw/zinc/39/23/65/571392365.db2.gz	BQNDOBMSIQIECV-UHFFFAOYSA-N	1	0	538.801	5.939	40	5		KKBBRO
CC(C)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1	ZINC000102370257	1071306941	/nfs/dbraw/zinc/30/69/41/1071306941.db2.gz	HPEVXTCHWZUTIR-XKEBTDTJSA-N	1	0	599.643	6.364	40	5		KKBBRO
CCOc1ccc(-n2cc(-c3ccc([N+](=O)[O-])cc3)[n+]3nc(-c4ccc(C)cc4)c4ccccc4c23)cc1	ZINC000027526240	1073206628	/nfs/dbraw/zinc/20/66/28/1073206628.db2.gz	MIESIRSNQJGGKW-UHFFFAOYSA-N	1	0	501.566	6.714	40	5		KKBBRO
C[C@@H](/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1)c1ccccc1	ZINC000005615091	552505445	/nfs/dbraw/zinc/50/54/45/552505445.db2.gz	VFKUFQIZGDLVQP-GBGZMHAVSA-N	1	0	535.478	8.843	40	5		KKBBRO
COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000028759802	553843688	/nfs/dbraw/zinc/84/36/88/553843688.db2.gz	FIIXCJGBCCCOQQ-XIFFEERXSA-N	1	0	608.739	5.591	40	5	in-vitro	KKBBRO
Cn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(/N=c4/ccn(C)c5ccc([N+](=O)[O-])cc54)cc3)cc2)cc1	ZINC000100367617	554353860	/nfs/dbraw/zinc/35/38/60/554353860.db2.gz	SDVVSJQTYKFAFR-QVTSOHHYSA-N	1	0	504.550	5.142	40	5		KKBBRO
COc1cc(COP(OCc2cc(OC)c(OC)cc2[N+](=O)[O-])[NH+](C(C)C)C(C)C)c([N+](=O)[O-])cc1OC	ZINC000138789583	571452141	/nfs/dbraw/zinc/45/21/41/571452141.db2.gz	OJWAIDYKRUKFTL-UHFFFAOYSA-N	1	0	555.521	5.617	40	5		KKBBRO
O=C(CN(Cc1ccc(Cl)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Nc1c(Br)cc([N+](=O)[O-])cc1Br	ZINC000150405644	571479302	/nfs/dbraw/zinc/47/93/02/571479302.db2.gz	GQZMHCBDMOLFIW-OAQYLSRUSA-N	1	0	642.688	5.856	40	5		KKBBRO
CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N@+](C)(Cc2ccccc2)C2CCCCC2)c(C(C)(C)C)c1	ZINC000245240528	572214137	/nfs/dbraw/zinc/21/41/37/572214137.db2.gz	ZKKOEEJLMHFPLK-DODOAAEWSA-N	1	0	510.783	7.017	40	5		KKBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccccc1Cl	ZINC000016195815	553556660	/nfs/dbraw/zinc/55/66/60/553556660.db2.gz	FTFUFGWCAJMXII-UHFFFAOYSA-N	1	0	510.805	6.344	40	5		KKBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccc(F)cc1	ZINC000016688515	553573123	/nfs/dbraw/zinc/57/31/23/553573123.db2.gz	LDVRWRKXIMMYNU-UHFFFAOYSA-N	1	0	508.377	6.220	40	5		KKBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc(F)cc1	ZINC000105251020	571392355	/nfs/dbraw/zinc/39/23/55/571392355.db2.gz	KBXKDSUCMKRPFL-UHFFFAOYSA-N	1	0	552.828	6.329	40	5		KKBBRO
CC[NH+](CC)CCn1c(NC(=O)c2ccc(Oc3cc(Oc4cccc(Cl)c4)cc([N+](=O)[O-])c3)cc2)nc2ccccc21	ZINC000107635087	571420650	/nfs/dbraw/zinc/42/06/50/571420650.db2.gz	QGPDRDAUMZOKRQ-UHFFFAOYSA-N	1	0	600.075	7.777	40	5		KKBBRO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1CCC[NH+]1CCOCC1	ZINC000224769155	571615395	/nfs/dbraw/zinc/61/53/95/571615395.db2.gz	VOQRHDOGDAAWRS-AJQTZOPKSA-N	1	0	628.824	6.459	40	5		KKBBRO
CC(C)(C)c1ccc(OCCOC[C@H](O)C[N+]2(Cc3ccc(F)cc3)CCCCCC2)c(C(C)(C)C)c1	ZINC000226070342	572125660	/nfs/dbraw/zinc/12/56/60/572125660.db2.gz	YXSNWSADRLBBNO-MUUNZHRXSA-N	1	0	514.746	6.768	40	5		KKBBRO
CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N@+](C)(Cc2ccccc2)C2CCCCC2)cc1	ZINC000245240288	572213799	/nfs/dbraw/zinc/21/37/99/572213799.db2.gz	PRONGAWLQZADHF-NHZFLZHXSA-N	1	0	510.783	7.136	40	5		KKBBRO
C=C/C=C(\C=C)[C@H](CC[N@@H+](C)CC(C)(C)OC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000936069039	1072828691	/nfs/dbraw/zinc/82/86/91/1072828691.db2.gz	YKEREWIYGUSPGG-RDXBQBNISA-N	1	0	613.755	6.729	40	5		KKBBRO
CCC[NH+](CCC)C[C@H](O)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(Cl)c(Cl)cc21	ZINC000001568031	551684573	/nfs/dbraw/zinc/68/45/73/551684573.db2.gz	MDEZWUCWFGHWMB-NRFANRHFSA-N	1	0	526.348	8.493	40	5		KKBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1	ZINC000016195708	553556653	/nfs/dbraw/zinc/55/66/53/553556653.db2.gz	MGKVQVPEXJMCKW-UHFFFAOYSA-N	1	0	520.811	5.800	40	5		KKBBRO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1CCC[NH+]1CCOCC1	ZINC000224769064	571615338	/nfs/dbraw/zinc/61/53/38/571615338.db2.gz	VOQRHDOGDAAWRS-ROJLCIKYSA-N	1	0	628.824	6.459	40	5		KKBBRO
C=C/C=C(\C=C)[C@@H](CC[N@@H+](C)CC(C)(C)OC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000936069040	1072828711	/nfs/dbraw/zinc/82/87/11/1072828711.db2.gz	YKEREWIYGUSPGG-WNLAERMFSA-N	1	0	613.755	6.729	40	5		KKBBRO
CN1c2ccc([N+](=O)[O-])cc2C(C)(C)/C1=C\C=C1CCCC(/C=C/C2=[N+](C)c3ccc([N+](=O)[O-])cc3C2(C)C)=C1Cl	ZINC000004235333	552451543	/nfs/dbraw/zinc/45/15/43/552451543.db2.gz	DWPZPPMMPDCDNT-UHFFFAOYSA-N	1	0	574.101	7.980	40	5		KKBBRO
CC(C)Oc1cccc(CC(=O)N2CCC[C@@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1	ZINC000014952198	553522412	/nfs/dbraw/zinc/52/24/12/553522412.db2.gz	RPDFDSQFBCJTDY-PXODCTBUSA-N	1	0	620.685	8.226	40	5	investigational	KKBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000016195639	553556399	/nfs/dbraw/zinc/55/63/99/553556399.db2.gz	PONKUGSHLRCDDI-UHFFFAOYSA-N	1	0	510.805	6.344	40	5		KKBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1F	ZINC000016195854	553556655	/nfs/dbraw/zinc/55/66/55/553556655.db2.gz	RXFRYEHBHFKUSG-UHFFFAOYSA-N	1	0	504.356	5.286	40	5		KKBBRO
CC1CCN(c2ccc(C(=O)Nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3)cc2[N+](=O)[O-])CC1	ZINC000059294120	554387549	/nfs/dbraw/zinc/38/75/49/554387549.db2.gz	BGDHIDIKBYWWNF-UHFFFAOYSA-N	1	0	513.642	5.406	40	5		KKBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1Cl	ZINC000105250874	571392258	/nfs/dbraw/zinc/39/22/58/571392258.db2.gz	ZIVNOZNHLKSDGU-UHFFFAOYSA-N	1	0	555.256	6.453	40	5		KKBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1	ZINC000105250971	571392348	/nfs/dbraw/zinc/39/23/48/571392348.db2.gz	QIHACYORTRCODQ-UHFFFAOYSA-N	1	0	534.838	6.190	40	5		KKBBRO
CC(C)Oc1cccc(C(=O)CN2CCC[C@@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1	ZINC000200049090	571569185	/nfs/dbraw/zinc/56/91/85/571569185.db2.gz	IVKFRDOJMJDKJU-PXODCTBUSA-N	1	0	620.685	8.340	40	5		KKBBRO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1CCC[NH+]1CCOCC1	ZINC000224769198	571615373	/nfs/dbraw/zinc/61/53/73/571615373.db2.gz	VOQRHDOGDAAWRS-ACHIHNKUSA-N	1	0	628.824	6.459	40	5		KKBBRO
CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N@@+](C)(Cc2ccccc2)C2CCCCC2)cc1	ZINC000245240285	572213853	/nfs/dbraw/zinc/21/38/53/572213853.db2.gz	PRONGAWLQZADHF-BFGHFXMOSA-N	1	0	510.783	7.136	40	5		KKBBRO
CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N@@+](C)(Cc2ccccc2)C2CCCCC2)c(C(C)(C)C)c1	ZINC000245240530	572214133	/nfs/dbraw/zinc/21/41/33/572214133.db2.gz	ZKKOEEJLMHFPLK-ZBWWXOROSA-N	1	0	510.783	7.017	40	5		KKBBRO
CC[NH+](CC)CCCN(CC(=O)N1c2ccc(Cl)cc2NC(=O)c2ccccc21)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006511132	552597034	/nfs/dbraw/zinc/59/70/34/552597034.db2.gz	GPTHONORRSPAPV-UHFFFAOYSA-N	1	0	564.042	5.353	40	5		KKBBRO
Ic1ccc2c(c1)N(c1ccccc1)c1cc(Nc3ccc4nc5ccc(I)cc5[n+](-c5ccccc5)c4c3)ccc1N2	ZINC000008034800	552983955	/nfs/dbraw/zinc/98/39/55/552983955.db2.gz	DRLPKIYKZSQYRJ-UHFFFAOYSA-O	1	0	780.431	10.144	40	5	in-vitro	KKBBRO
C[C@H](/[NH+]=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1)c1ccccc1	ZINC000008652604	553107805	/nfs/dbraw/zinc/10/78/05/553107805.db2.gz	VFKUFQIZGDLVQP-YBHFLXKMSA-N	1	0	535.478	8.843	40	5		KKBBRO
C[NH+]1CCN(c2ccc(-n3c(/C=C/c4ccc(Cl)cc4)nc4cc5ccccc5cc4c3=O)cc2)CC1	ZINC000016189129	553556058	/nfs/dbraw/zinc/55/60/58/553556058.db2.gz	PIZLVBJCPPYHQJ-OVCLIPMQSA-N	1	0	507.037	6.115	40	5		KKBBRO
CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1	ZINC000103288087	571361421	/nfs/dbraw/zinc/36/14/21/571361421.db2.gz	RWNXCLOGXUGYJO-XKEBTDTJSA-N	1	0	599.643	6.365	40	5		KKBBRO
C[C@H](/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1)c1ccccc1	ZINC000104266815	571378082	/nfs/dbraw/zinc/37/80/82/571378082.db2.gz	VFKUFQIZGDLVQP-VCUYENBOSA-N	1	0	535.478	8.843	40	5		KKBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000105250985	571392311	/nfs/dbraw/zinc/39/23/11/571392311.db2.gz	WZWNFYGHPWQHKM-UHFFFAOYSA-N	1	0	569.283	6.844	40	5		KKBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000105249281	571392332	/nfs/dbraw/zinc/39/23/32/571392332.db2.gz	QKNYSELPIBKUSC-UHFFFAOYSA-N	1	0	524.832	6.734	40	5		KKBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1Cl	ZINC000105250999	571392342	/nfs/dbraw/zinc/39/23/42/571392342.db2.gz	HGNALJGVCRJYKP-UHFFFAOYSA-N	1	0	569.283	6.844	40	5		KKBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl	ZINC000105249094	571392359	/nfs/dbraw/zinc/39/23/59/571392359.db2.gz	CFBCFQUXJJWFQE-UHFFFAOYSA-N	1	0	555.256	6.453	40	5		KKBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc(F)cc1	ZINC000105251042	571392368	/nfs/dbraw/zinc/39/23/68/571392368.db2.gz	RELSBNAOMCZLRG-UHFFFAOYSA-N	1	0	538.801	5.939	40	5		KKBBRO
CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N+]2(Cc3ccc(F)cc3)CCCCCC2)cc1	ZINC000226069607	572125632	/nfs/dbraw/zinc/12/56/32/572125632.db2.gz	HDJZVWRGYIFUMT-LJAQVGFWSA-N	1	0	514.746	6.887	40	5		KKBBRO
CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@H](O)C[N+]2(Cc3ccc(F)cc3)CCCCCC2)cc1	ZINC000226069621	572125714	/nfs/dbraw/zinc/12/57/14/572125714.db2.gz	HDJZVWRGYIFUMT-GDLZYMKVSA-N	1	0	514.746	6.887	40	5		KKBBRO
O=C(c1cccs1)[C@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12	ZINC000103534398	1071308793	/nfs/dbraw/zinc/30/87/93/1071308793.db2.gz	HZJJTVSUAGHUPD-YUUTYDCPSA-N	1	0	547.592	5.638	40	5		KKBBRO
Fc1ccc2nc3ccccc3c(SCC[NH2+]CCSc3c4ccccc4nc4ccc(F)cc43)c2c1	ZINC000005487915	552502952	/nfs/dbraw/zinc/50/29/52/552502952.db2.gz	JDLSIBNGLJZINF-UHFFFAOYSA-N	1	0	527.665	7.842	40	5		KKBBRO
CC(=O)O[C@@H](c1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[n+]1ccc(-c2ccccc2)cc1-c1ccccc1	ZINC000015770763	553536255	/nfs/dbraw/zinc/53/62/55/553536255.db2.gz	KZEOSNCVEJHRNN-LQJZCPKCSA-N	1	0	515.589	7.110	40	5		KKBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(F)cc1	ZINC000016688494	553573136	/nfs/dbraw/zinc/57/31/36/553573136.db2.gz	MCALDZCQCRHOGD-UHFFFAOYSA-N	1	0	518.383	5.676	40	5		KKBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1F	ZINC000016688723	553573181	/nfs/dbraw/zinc/57/31/81/553573181.db2.gz	QADSLSOJSOYLHP-UHFFFAOYSA-N	1	0	518.383	5.676	40	5		KKBBRO
Cn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(/N=c4/ccn(C)c5ccc([N+](=O)[O-])cc54)cc3[N+](=O)[O-])cc2)cc1	ZINC000104190820	571376422	/nfs/dbraw/zinc/37/64/22/571376422.db2.gz	WCAXYNQWNUORFD-ZXPTYKNPSA-N	1	0	549.547	5.050	40	5		KKBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2cc(Br)ccc2OCc2ccccc2Cl)c(Cl)c1	ZINC000105250993	571392255	/nfs/dbraw/zinc/39/22/55/571392255.db2.gz	RFVUEEKBKGTJIG-UHFFFAOYSA-N	1	0	525.230	6.445	40	5		KKBBRO
COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000105251087	571392307	/nfs/dbraw/zinc/39/23/07/571392307.db2.gz	NJQRPDAZEALUPZ-UHFFFAOYSA-N	1	0	545.250	6.998	40	5		KKBBRO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1CCC[NH+]1CCOCC1	ZINC000224769111	571615401	/nfs/dbraw/zinc/61/54/01/571615401.db2.gz	VOQRHDOGDAAWRS-ZWXJPIIXSA-N	1	0	628.824	6.459	40	5		KKBBRO
CC(C)(C)c1ccc(OCCOC[C@H](O)C[N@+](C)(Cc2ccccc2)C2CCCCC2)c(C(C)(C)C)c1	ZINC000245240529	572214129	/nfs/dbraw/zinc/21/41/29/572214129.db2.gz	ZKKOEEJLMHFPLK-SJHOIFEDSA-N	1	0	510.783	7.017	40	5		KKBBRO
C=C/C=C(\C=C)[C@@H](CC[N@@H+](C)CC(C)(C)OC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000936069037	1072828727	/nfs/dbraw/zinc/82/87/27/1072828727.db2.gz	YKEREWIYGUSPGG-HFQFOKHGSA-N	1	0	613.755	6.729	40	5		KKBBRO
CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccccc1Cl	ZINC000105251063	571392373	/nfs/dbraw/zinc/39/23/73/571392373.db2.gz	VDWFBBFSLXTDEY-UHFFFAOYSA-N	1	0	524.832	6.734	40	5		KKBBRO
C[C@@H]([C@H]1CCCC[NH2+]1)n1cc(C(=O)c2cc([N+](=O)[O-])ccc2I)c2ccccc21	ZINC000117827891	571443321	/nfs/dbraw/zinc/44/33/21/571443321.db2.gz	KROKGJJZVBXDAL-VBKZILBWSA-N	1	0	503.340	5.088	40	5		KKBBRO