smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000180124394	705729354	/nfs/dbraw/zinc/72/93/54/705729354.db2.gz	KNBNBTNUPQSMMF-CQSZACIVSA-N	1	1	350.806	3.123	10	10		FGCEMO
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000180124394	705729357	/nfs/dbraw/zinc/72/93/57/705729357.db2.gz	KNBNBTNUPQSMMF-CQSZACIVSA-N	1	1	350.806	3.123	10	10		FGCEMO
CCOc1cccc(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1O	ZINC000190474898	497495947	/nfs/dbraw/zinc/49/59/47/497495947.db2.gz	UIRAZZZKOQUIRE-GOSISDBHSA-N	1	1	355.482	3.140	10	10		FGCEMO
COc1cc(Br)cc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1O	ZINC000245796904	713612074	/nfs/dbraw/zinc/61/20/74/713612074.db2.gz	XELUGPNDLCRDKW-SUMWQHHRSA-N	1	1	370.287	3.290	10	10		FGCEMO
CCn1cc([C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)CCO2)cn1	ZINC000191699561	496858736	/nfs/dbraw/zinc/85/87/36/496858736.db2.gz	ACNKJOZFFCPEMN-NRFANRHFSA-N	1	1	354.498	3.467	10	10		FGCEMO
CCn1cc([C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CCO2)cn1	ZINC000191699561	496858739	/nfs/dbraw/zinc/85/87/39/496858739.db2.gz	ACNKJOZFFCPEMN-NRFANRHFSA-N	1	1	354.498	3.467	10	10		FGCEMO
COC(=O)/C=C/c1ccc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)c([N+](=O)[O-])c1	ZINC000154945861	495781239	/nfs/dbraw/zinc/78/12/39/495781239.db2.gz	UWTIZYZBMFCALU-VFADXPBXSA-N	1	1	373.453	3.234	10	10		FGCEMO
Oc1c(Br)cccc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1	ZINC000092812717	700441366	/nfs/dbraw/zinc/44/13/66/700441366.db2.gz	QCONIARSMDLTSR-ZDUSSCGKSA-N	1	1	362.271	3.484	10	10		FGCEMO
Oc1c(Br)cccc1C[N@H+]1CC[C@@H](CNc2ccccn2)C1	ZINC000092812717	700441368	/nfs/dbraw/zinc/44/13/68/700441368.db2.gz	QCONIARSMDLTSR-ZDUSSCGKSA-N	1	1	362.271	3.484	10	10		FGCEMO
OC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@H]1c1ccsc1	ZINC000190286074	497424662	/nfs/dbraw/zinc/42/46/62/497424662.db2.gz	YSFVWXUBYBSPMH-ZFWWWQNUSA-N	1	1	368.296	3.424	10	10		FGCEMO
COC(=O)/C=C/c1ccc(N2CCC([N@H+]3CCC[C@H]3C)CC2)c([N+](=O)[O-])c1	ZINC000154945749	495781493	/nfs/dbraw/zinc/78/14/93/495781493.db2.gz	UWTIZYZBMFCALU-PMGBHYCQSA-N	1	1	373.453	3.234	10	10		FGCEMO
COc1cc(O)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)cc1OC	ZINC000180667079	496095022	/nfs/dbraw/zinc/09/50/22/496095022.db2.gz	MPADAVJPXGOWGL-ROUUACIJSA-N	1	1	357.450	3.498	10	10		FGCEMO
COc1ccc(O)c(C[N@H+]2CC[C@H](CN(C)Cc3scnc3C)C2)c1	ZINC000190462403	497488298	/nfs/dbraw/zinc/48/82/98/497488298.db2.gz	BWNAQVOHNVMJNI-OAHLLOKOSA-N	1	1	361.511	3.120	10	10		FGCEMO
CCOc1ccc(O)c(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1	ZINC000190477849	497497190	/nfs/dbraw/zinc/49/71/90/497497190.db2.gz	SMBKPTSNAGTUSQ-GOSISDBHSA-N	1	1	355.482	3.140	10	10		FGCEMO
CC[N@H+]1CCC[C@@H]1CN(C)Cc1cc(Br)cc(OC)c1O	ZINC000123376800	700703842	/nfs/dbraw/zinc/70/38/42/700703842.db2.gz	KUEQPOCOYVUUTB-CQSZACIVSA-N	1	1	357.292	3.079	10	10		FGCEMO
Cc1cc(Br)cc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1O	ZINC000180330787	495955084	/nfs/dbraw/zinc/95/50/84/495955084.db2.gz	OIHZTTXDPCNLGF-LBPRGKRZSA-N	1	1	350.260	3.186	10	10		FGCEMO
C[N@H+]1CCC[C@@H](Cn2cnc3ccc(Oc4ccc(N)cc4)cc3c2=O)C1	ZINC000584656246	507436812	/nfs/dbraw/zinc/43/68/12/507436812.db2.gz	FQPPDLDSNPAPNY-OAHLLOKOSA-N	1	1	364.449	3.113	10	10		FGCEMO
COc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)cc1OC	ZINC000180667058	496095539	/nfs/dbraw/zinc/09/55/39/496095539.db2.gz	MPADAVJPXGOWGL-MSOLQXFVSA-N	1	1	357.450	3.498	10	10		FGCEMO
COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)c1O	ZINC000188406323	496778910	/nfs/dbraw/zinc/77/89/10/496778910.db2.gz	XERMQDNRIHWNEF-CQSZACIVSA-N	1	1	366.259	3.024	10	10		FGCEMO
Cc1cnn([C@@H]2CCC[N@H+](Cc3cccc(Br)c3O)C2)c1	ZINC000123050805	700699461	/nfs/dbraw/zinc/69/94/61/700699461.db2.gz	GPNCPMAEGWOXEU-CQSZACIVSA-N	1	1	350.260	3.497	10	10		FGCEMO
Cc1cnn([C@@H]2CCC[N@@H+](Cc3cccc(Br)c3O)C2)c1	ZINC000123050805	700699463	/nfs/dbraw/zinc/69/94/63/700699463.db2.gz	GPNCPMAEGWOXEU-CQSZACIVSA-N	1	1	350.260	3.497	10	10		FGCEMO
COc1cc(Br)cc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1O	ZINC000245796895	713612056	/nfs/dbraw/zinc/61/20/56/713612056.db2.gz	XELUGPNDLCRDKW-GUYCJALGSA-N	1	1	370.287	3.290	10	10		FGCEMO
COc1cc(N(C)C)cc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)c1O	ZINC000035017758	208117925	/nfs/dbraw/zinc/11/79/25/208117925.db2.gz	GOKYHQGRIIXMNE-UHFFFAOYSA-N	1	1	359.426	3.050	10	10		FGCEMO
CC(C)C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1nc(-c2nc[nH]n2)no1	ZINC000186364520	495965779	/nfs/dbraw/zinc/96/57/79/495965779.db2.gz	QSURVBJGDZMXHT-GXFFZTMASA-N	1	1	360.393	3.137	10	10		FGCEMO
Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCO2)n1	ZINC000152869230	496280549	/nfs/dbraw/zinc/28/05/49/496280549.db2.gz	FEAPKXLGLNNCAL-GOSISDBHSA-N	1	1	351.450	3.260	10	10		FGCEMO
COc1cc(Br)cc(C[N@H+]2CCC[C@H]2Cn2ccnc2)c1O	ZINC000188406346	496779294	/nfs/dbraw/zinc/77/92/94/496779294.db2.gz	XERMQDNRIHWNEF-AWEZNQCLSA-N	1	1	366.259	3.024	10	10		FGCEMO
CN(C)c1ccc(C[N@@H+](C)C[C@@H](c2cccs2)N2CCOCC2)cc1	ZINC000121702837	700678344	/nfs/dbraw/zinc/67/83/44/700678344.db2.gz	QPPYHJYCJKGTDB-IBGZPJMESA-N	1	1	359.539	3.319	10	10		FGCEMO
C[N@H+](Cc1ccccc1O)C[C@@H](O)COc1cccc(Br)c1	ZINC000171937606	705401989	/nfs/dbraw/zinc/40/19/89/705401989.db2.gz	NJQTVUHAGOEBPN-OAHLLOKOSA-N	1	1	366.255	3.026	10	10		FGCEMO
CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1	ZINC000093757768	700453904	/nfs/dbraw/zinc/45/39/04/700453904.db2.gz	OLXLUSGTRIEZEA-OAHLLOKOSA-N	1	1	350.459	3.280	10	10		FGCEMO
Cc1cc(Cl)cc(C[N@H+](C)C2CCN(CCn3cccn3)CC2)c1O	ZINC000180095714	495856644	/nfs/dbraw/zinc/85/66/44/495856644.db2.gz	BHUANCBRXYWXJT-UHFFFAOYSA-N	1	1	362.905	3.147	10	10		FGCEMO
COc1cc(Cl)cc(C[N@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1O	ZINC000184690741	496495010	/nfs/dbraw/zinc/49/50/10/496495010.db2.gz	QINOQUWPAFSHPG-AWEZNQCLSA-N	1	1	364.877	3.175	10	10		FGCEMO
COc1cc(Cl)cc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1O	ZINC000190289360	497426302	/nfs/dbraw/zinc/42/63/02/497426302.db2.gz	VIGOSEZPCLIIJD-ZFWWWQNUSA-N	1	1	353.871	3.324	10	10		FGCEMO
C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1nnc2n1CCCC2	ZINC000131145400	495498221	/nfs/dbraw/zinc/49/82/21/495498221.db2.gz	OHOSITPBVBQTDZ-GJZGRUSLSA-N	1	1	373.476	3.002	10	10		FGCEMO
C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1nnc2n1CCCC2	ZINC000131146026	495499420	/nfs/dbraw/zinc/49/94/20/495499420.db2.gz	OHOSITPBVBQTDZ-HUUCEWRRSA-N	1	1	373.476	3.002	10	10		FGCEMO
CCOc1ccc(O)c(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1	ZINC000190477874	497497545	/nfs/dbraw/zinc/49/75/45/497497545.db2.gz	SMBKPTSNAGTUSQ-SFHVURJKSA-N	1	1	355.482	3.140	10	10		FGCEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCCCSc1nccs1	ZINC000130862640	700807000	/nfs/dbraw/zinc/80/70/00/700807000.db2.gz	XZYCZSOEMWXRFP-CQSZACIVSA-N	1	1	356.561	3.045	10	10		FGCEMO
C[N@H+](Cc1cc(F)ccc1O)C[C@H](c1cccs1)N1CCOCC1	ZINC000180113249	705728731	/nfs/dbraw/zinc/72/87/31/705728731.db2.gz	OCZRDZFOJKWLQG-MRXNPFEDSA-N	1	1	350.459	3.098	10	10		FGCEMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)Cc1ccc(N)cc1	ZINC000262634459	497588746	/nfs/dbraw/zinc/58/87/46/497588746.db2.gz	GOBCXZXLNAOBEZ-CYGODWOOSA-N	1	1	365.521	3.426	10	10		FGCEMO
CCCCOC[C@H](O)C[N@@H+](CC)Cc1cc(Br)ccc1O	ZINC000195180339	713547984	/nfs/dbraw/zinc/54/79/84/713547984.db2.gz	XTGBUUKYFOYOJG-OAHLLOKOSA-N	1	1	360.292	3.154	10	10		FGCEMO
C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc(N2CCOCC2)c(F)c1	ZINC000131145600	495498200	/nfs/dbraw/zinc/49/82/00/495498200.db2.gz	OHOSITPBVBQTDZ-CABCVRRESA-N	1	1	373.476	3.002	10	10		FGCEMO
CCOc1cccc(C[N@H+]2CCCN(Cc3csc(C)n3)CC2)c1O	ZINC000157241394	496436441	/nfs/dbraw/zinc/43/64/41/496436441.db2.gz	WFOIZIUSSMTCFO-UHFFFAOYSA-N	1	1	361.511	3.264	10	10		FGCEMO
COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1O	ZINC000184686998	496493785	/nfs/dbraw/zinc/49/37/85/496493785.db2.gz	AOSKXECFJUEOCW-LBPRGKRZSA-N	1	1	351.834	3.200	10	10		FGCEMO
CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nc(-c2nc[nH]n2)no1	ZINC000179808081	495742566	/nfs/dbraw/zinc/74/25/66/495742566.db2.gz	FGYDCLSPBZNEOK-BBRMVZONSA-N	1	1	369.473	3.359	10	10		FGCEMO
COc1cc(O)c(C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)cc1OC	ZINC000179989180	495812546	/nfs/dbraw/zinc/81/25/46/495812546.db2.gz	MKQDXPAVAGFRSY-OAHLLOKOSA-N	1	1	357.454	3.047	10	10		FGCEMO
COc1cc(O)c(C[N@H+]2CC[C@H](CNc3cccc(C)n3)C2)cc1OC	ZINC000179989180	495812548	/nfs/dbraw/zinc/81/25/48/495812548.db2.gz	MKQDXPAVAGFRSY-OAHLLOKOSA-N	1	1	357.454	3.047	10	10		FGCEMO
Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H](n2cncn2)C1	ZINC000183049692	495813677	/nfs/dbraw/zinc/81/36/77/495813677.db2.gz	CKJNNPBPXGZIRQ-LJQANCHMSA-N	1	1	364.449	3.400	10	10		FGCEMO
CCn1cnnc1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1	ZINC000177094824	495923193	/nfs/dbraw/zinc/92/31/93/495923193.db2.gz	XVMCLYQXKNYOLB-ZDUSSCGKSA-N	1	1	362.861	3.239	10	10		FGCEMO
Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)n1	ZINC000191341261	496731696	/nfs/dbraw/zinc/73/16/96/496731696.db2.gz	CUFNPXAJNFCFRK-ZDUSSCGKSA-N	1	1	352.841	3.305	10	10		FGCEMO
Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)n1	ZINC000191341261	496731698	/nfs/dbraw/zinc/73/16/98/496731698.db2.gz	CUFNPXAJNFCFRK-ZDUSSCGKSA-N	1	1	352.841	3.305	10	10		FGCEMO
CCOc1cccc(C[N@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1O	ZINC000093757524	700453973	/nfs/dbraw/zinc/45/39/73/700453973.db2.gz	ZAJYVHLILVBXJO-OAHLLOKOSA-N	1	1	350.459	3.280	10	10		FGCEMO
CCCn1cc(CN2CCC[N@@H+](Cc3cc(Cl)ccc3O)CC2)cn1	ZINC000121669573	700677527	/nfs/dbraw/zinc/67/75/27/700677527.db2.gz	XVXUKXKZCSVHJO-UHFFFAOYSA-N	1	1	362.905	3.360	10	10		FGCEMO
Cc1cnn([C@H]2CCC[N@H+](Cc3cccc(Br)c3O)C2)c1	ZINC000123051048	700699564	/nfs/dbraw/zinc/69/95/64/700699564.db2.gz	GPNCPMAEGWOXEU-AWEZNQCLSA-N	1	1	350.260	3.497	10	10		FGCEMO
Cc1cnn([C@H]2CCC[N@@H+](Cc3cccc(Br)c3O)C2)c1	ZINC000123051048	700699567	/nfs/dbraw/zinc/69/95/67/700699567.db2.gz	GPNCPMAEGWOXEU-AWEZNQCLSA-N	1	1	350.260	3.497	10	10		FGCEMO
CCOc1cccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1O	ZINC000092812014	494757830	/nfs/dbraw/zinc/75/78/30/494757830.db2.gz	GVUNPEPTRHTULI-INIZCTEOSA-N	1	1	356.470	3.446	10	10		FGCEMO
CCOc1cccc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1O	ZINC000092812014	494757837	/nfs/dbraw/zinc/75/78/37/494757837.db2.gz	GVUNPEPTRHTULI-INIZCTEOSA-N	1	1	356.470	3.446	10	10		FGCEMO
COc1cc(O)c(C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)cc1OC	ZINC000179989165	495812638	/nfs/dbraw/zinc/81/26/38/495812638.db2.gz	MKQDXPAVAGFRSY-HNNXBMFYSA-N	1	1	357.454	3.047	10	10		FGCEMO
COc1cc(O)c(C[N@H+]2CC[C@@H](CNc3cccc(C)n3)C2)cc1OC	ZINC000179989165	495812642	/nfs/dbraw/zinc/81/26/42/495812642.db2.gz	MKQDXPAVAGFRSY-HNNXBMFYSA-N	1	1	357.454	3.047	10	10		FGCEMO
Cc1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)c(C)n1-c1ccccn1	ZINC000177204886	495977057	/nfs/dbraw/zinc/97/70/57/495977057.db2.gz	CRLRLYRLGIDSAF-GOSISDBHSA-N	1	1	363.465	3.299	10	10		FGCEMO
COc1cccc(C[N@H+]2CC[C@@H](CN(C)Cc3scnc3C)C2)c1O	ZINC000190469827	712815325	/nfs/dbraw/zinc/81/53/25/712815325.db2.gz	PLLBUGCTQRGDHK-HNNXBMFYSA-N	1	1	361.511	3.120	10	10		FGCEMO
Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1	ZINC000092813178	494759118	/nfs/dbraw/zinc/75/91/18/494759118.db2.gz	RQBLHAYHQCKBGL-HXUWFJFHSA-N	1	1	366.509	3.161	10	10		FGCEMO
Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1	ZINC000122764679	495027723	/nfs/dbraw/zinc/02/77/23/495027723.db2.gz	VFECXINTDKDPQK-HXUWFJFHSA-N	1	1	354.498	3.211	10	10		FGCEMO
CC(C)C[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1nc(-c2nc[nH]n2)no1	ZINC000186364539	495965929	/nfs/dbraw/zinc/96/59/29/495965929.db2.gz	QSURVBJGDZMXHT-MFKMUULPSA-N	1	1	360.393	3.137	10	10		FGCEMO
Cc1noc([C@H](C)N2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)n1	ZINC000121255478	494670036	/nfs/dbraw/zinc/67/00/36/494670036.db2.gz	RPABADRNRNMEPT-KRWDZBQOSA-N	1	1	369.513	3.247	10	10		FGCEMO
COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1O	ZINC000131829273	494745512	/nfs/dbraw/zinc/74/55/12/494745512.db2.gz	RIMZCXYLLZVRDO-CQSZACIVSA-N	1	1	366.259	3.234	10	10		FGCEMO
COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1O	ZINC000131829273	494745519	/nfs/dbraw/zinc/74/55/19/494745519.db2.gz	RIMZCXYLLZVRDO-CQSZACIVSA-N	1	1	366.259	3.234	10	10		FGCEMO
CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1	ZINC000092812252	494758099	/nfs/dbraw/zinc/75/80/99/494758099.db2.gz	WBGUURDBGGVEKH-KRWDZBQOSA-N	1	1	356.470	3.446	10	10		FGCEMO
CCOc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1	ZINC000092812252	494758105	/nfs/dbraw/zinc/75/81/05/494758105.db2.gz	WBGUURDBGGVEKH-KRWDZBQOSA-N	1	1	356.470	3.446	10	10		FGCEMO
[O-]c1c(C[NH+]2CCCC2)cc(Nc2ncccn2)cc1C[NH+]1CCCC1	ZINC000027890020	494889319	/nfs/dbraw/zinc/88/93/19/494889319.db2.gz	SWFFUVKQCRGRSP-UHFFFAOYSA-N	1	1	353.470	3.117	10	10		FGCEMO
Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCO2)n1	ZINC000152869112	496281041	/nfs/dbraw/zinc/28/10/41/496281041.db2.gz	FEAPKXLGLNNCAL-SFHVURJKSA-N	1	1	351.450	3.260	10	10		FGCEMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000175861774	496577110	/nfs/dbraw/zinc/57/71/10/496577110.db2.gz	YYGDSKXWDLQCKS-HXUWFJFHSA-N	1	1	367.497	3.166	10	10		FGCEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCCSc1nccs1	ZINC000154555706	705038751	/nfs/dbraw/zinc/03/87/51/705038751.db2.gz	ZPSLJSQKLXBIQB-AWEZNQCLSA-N	1	1	365.528	3.004	10	10		FGCEMO
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(Br)c1[O-]	ZINC000180128343	705729289	/nfs/dbraw/zinc/72/92/89/705729289.db2.gz	QPBVAGYYQDDGOB-AWEZNQCLSA-N	1	1	350.260	3.324	10	10		FGCEMO
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc(Br)c1[O-]	ZINC000180128343	705729293	/nfs/dbraw/zinc/72/92/93/705729293.db2.gz	QPBVAGYYQDDGOB-AWEZNQCLSA-N	1	1	350.260	3.324	10	10		FGCEMO
CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1	ZINC000122881478	495045974	/nfs/dbraw/zinc/04/59/74/495045974.db2.gz	MVPXGQWUQMPMIV-HXUWFJFHSA-N	1	1	354.498	3.119	10	10		FGCEMO
Oc1ccc(Br)cc1C[N@H+]1CC[C@@H](CNc2ccccn2)C1	ZINC000092812377	700441497	/nfs/dbraw/zinc/44/14/97/700441497.db2.gz	MQOBAVDOJLBYRQ-ZDUSSCGKSA-N	1	1	362.271	3.484	10	10		FGCEMO
CCOc1cccc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1O	ZINC000154892502	705053912	/nfs/dbraw/zinc/05/39/12/705053912.db2.gz	VLNXIVPKYZTWER-HNNXBMFYSA-N	1	1	350.459	3.280	10	10		FGCEMO
COc1cc(Br)cc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1O	ZINC000131829062	494745653	/nfs/dbraw/zinc/74/56/53/494745653.db2.gz	RIMZCXYLLZVRDO-AWEZNQCLSA-N	1	1	366.259	3.234	10	10		FGCEMO
COc1cc(Br)cc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1O	ZINC000131829062	494745660	/nfs/dbraw/zinc/74/56/60/494745660.db2.gz	RIMZCXYLLZVRDO-AWEZNQCLSA-N	1	1	366.259	3.234	10	10		FGCEMO
CC(C)C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1nc(-c2nc[nH]n2)no1	ZINC000179808119	495742404	/nfs/dbraw/zinc/74/24/04/495742404.db2.gz	FGYDCLSPBZNEOK-CZUORRHYSA-N	1	1	369.473	3.359	10	10		FGCEMO
Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1O	ZINC000180330805	495955121	/nfs/dbraw/zinc/95/51/21/495955121.db2.gz	OIHZTTXDPCNLGF-GFCCVEGCSA-N	1	1	350.260	3.186	10	10		FGCEMO
CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1	ZINC000092708098	700440239	/nfs/dbraw/zinc/44/02/39/700440239.db2.gz	CDDPOIMISCGBHW-CQSZACIVSA-N	1	1	355.276	3.035	10	10		FGCEMO
CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1	ZINC000092708098	700440241	/nfs/dbraw/zinc/44/02/41/700440241.db2.gz	CDDPOIMISCGBHW-CQSZACIVSA-N	1	1	355.276	3.035	10	10		FGCEMO
Cn1nccc1C1CC[NH+](Cc2cccc(Br)c2O)CC1	ZINC000092810453	700441561	/nfs/dbraw/zinc/44/15/61/700441561.db2.gz	MSLCMFHUBGGZMY-UHFFFAOYSA-N	1	1	350.260	3.268	10	10		FGCEMO
Cc1nc(C[C@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)no1	ZINC000092813663	494760659	/nfs/dbraw/zinc/76/06/59/494760659.db2.gz	MZCUCKKPNJPDQK-GFCCVEGCSA-N	1	1	366.259	3.301	10	10		FGCEMO
CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1	ZINC000177094808	495923536	/nfs/dbraw/zinc/92/35/36/495923536.db2.gz	XVMCLYQXKNYOLB-CYBMUJFWSA-N	1	1	362.861	3.239	10	10		FGCEMO
CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1	ZINC000167879591	496707402	/nfs/dbraw/zinc/70/74/02/496707402.db2.gz	RXIOBVMQHYDWAM-RHSMWYFYSA-N	1	1	373.476	3.002	10	10		FGCEMO
Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1	ZINC000122764407	495027659	/nfs/dbraw/zinc/02/76/59/495027659.db2.gz	VFECXINTDKDPQK-FQEVSTJZSA-N	1	1	354.498	3.211	10	10		FGCEMO
CC(C)C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1nc(-c2nc[nH]n2)no1	ZINC000186364499	495965740	/nfs/dbraw/zinc/96/57/40/495965740.db2.gz	QSURVBJGDZMXHT-GWCFXTLKSA-N	1	1	360.393	3.137	10	10		FGCEMO
COc1cc(Br)cc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1O	ZINC000093585200	700452482	/nfs/dbraw/zinc/45/24/82/700452482.db2.gz	XELUGPNDLCRDKW-DYVFJYSZSA-N	1	1	370.287	3.290	10	10		FGCEMO
COc1cc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)cc1C	ZINC000159917865	705238177	/nfs/dbraw/zinc/23/81/77/705238177.db2.gz	COLJFNFIDORQQO-HNNXBMFYSA-N	1	1	350.459	3.198	10	10		FGCEMO
Cc1nc(CN2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)CC2)no1	ZINC000127918964	495017835	/nfs/dbraw/zinc/01/78/35/495017835.db2.gz	CGNOGDVFWGBWQG-UHFFFAOYSA-N	1	1	369.513	3.076	10	10		FGCEMO
CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1	ZINC000092708099	700440079	/nfs/dbraw/zinc/44/00/79/700440079.db2.gz	CDDPOIMISCGBHW-AWEZNQCLSA-N	1	1	355.276	3.035	10	10		FGCEMO
CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1	ZINC000092708099	700440081	/nfs/dbraw/zinc/44/00/81/700440081.db2.gz	CDDPOIMISCGBHW-AWEZNQCLSA-N	1	1	355.276	3.035	10	10		FGCEMO
CCCCOC[C@@H](O)C[N@@H+](CC)Cc1cc(Br)ccc1O	ZINC000195180350	713547929	/nfs/dbraw/zinc/54/79/29/713547929.db2.gz	XTGBUUKYFOYOJG-HNNXBMFYSA-N	1	1	360.292	3.154	10	10		FGCEMO
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000121121759	700666462	/nfs/dbraw/zinc/66/64/62/700666462.db2.gz	ZJKZXRYIFMCECF-GFCCVEGCSA-N	1	1	361.313	3.224	10	10		FGCEMO
CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1	ZINC000122881693	495046329	/nfs/dbraw/zinc/04/63/29/495046329.db2.gz	MVPXGQWUQMPMIV-FQEVSTJZSA-N	1	1	354.498	3.119	10	10		FGCEMO
COc1ccc(O)c(C[N@H+]2CC[C@@H](CN(C)Cc3scnc3C)C2)c1	ZINC000190462385	497488824	/nfs/dbraw/zinc/48/88/24/497488824.db2.gz	BWNAQVOHNVMJNI-HNNXBMFYSA-N	1	1	361.511	3.120	10	10		FGCEMO
C[N@H+]1CCC[C@H](Cn2cnc3ccc(Oc4ccc(N)cc4)cc3c2=O)C1	ZINC000584656245	507435848	/nfs/dbraw/zinc/43/58/48/507435848.db2.gz	FQPPDLDSNPAPNY-HNNXBMFYSA-N	1	1	364.449	3.113	10	10		FGCEMO
CC(C)C[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1nc(-c2nc[nH]n2)no1	ZINC000179808106	495742627	/nfs/dbraw/zinc/74/26/27/495742627.db2.gz	FGYDCLSPBZNEOK-CJNGLKHVSA-N	1	1	369.473	3.359	10	10		FGCEMO
CC(C)C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1nc(-c2nc[nH]n2)no1	ZINC000186364558	495965537	/nfs/dbraw/zinc/96/55/37/495965537.db2.gz	QSURVBJGDZMXHT-ZWNOBZJWSA-N	1	1	360.393	3.137	10	10		FGCEMO
CCO[P@H](=O)[C@@H]([NH3+])c1c(O)cc(Br)cc1Br	ZINC000382740480	499546098	/nfs/dbraw/zinc/54/60/98/499546098.db2.gz	JTOTYMOYMBCFKG-SECBINFHSA-N	1	1	372.981	3.386	10	10		FGCEMO
CCO[P@@H](=O)[C@@H]([NH3+])c1c(O)cc(Br)cc1Br	ZINC000382740480	499546099	/nfs/dbraw/zinc/54/60/99/499546099.db2.gz	JTOTYMOYMBCFKG-SECBINFHSA-N	1	1	372.981	3.386	10	10		FGCEMO
Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)no1	ZINC000092813662	494761119	/nfs/dbraw/zinc/76/11/19/494761119.db2.gz	MZCUCKKPNJPDQK-LBPRGKRZSA-N	1	1	366.259	3.301	10	10		FGCEMO
CCOc1ccc(O)c(C[N@H+]2CCCN(Cc3csc(C)n3)CC2)c1	ZINC000157257305	496438947	/nfs/dbraw/zinc/43/89/47/496438947.db2.gz	WGECUFNHSYPZTI-UHFFFAOYSA-N	1	1	361.511	3.264	10	10		FGCEMO
CCOc1cccc(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1O	ZINC000190474922	497495904	/nfs/dbraw/zinc/49/59/04/497495904.db2.gz	UIRAZZZKOQUIRE-SFHVURJKSA-N	1	1	355.482	3.140	10	10		FGCEMO
Oc1c(Br)cccc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1	ZINC000092812718	700441576	/nfs/dbraw/zinc/44/15/76/700441576.db2.gz	QCONIARSMDLTSR-CYBMUJFWSA-N	1	1	362.271	3.484	10	10		FGCEMO
Oc1c(Br)cccc1C[N@H+]1CC[C@H](CNc2ccccn2)C1	ZINC000092812718	700441579	/nfs/dbraw/zinc/44/15/79/700441579.db2.gz	QCONIARSMDLTSR-CYBMUJFWSA-N	1	1	362.271	3.484	10	10		FGCEMO
Cc1cnn([C@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)c1	ZINC000122966708	700698202	/nfs/dbraw/zinc/69/82/02/700698202.db2.gz	HBYGHBJRIXTZCR-HNNXBMFYSA-N	1	1	350.260	3.497	10	10		FGCEMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCCSc1nccs1	ZINC000154555836	705038784	/nfs/dbraw/zinc/03/87/84/705038784.db2.gz	ZPSLJSQKLXBIQB-CQSZACIVSA-N	1	1	365.528	3.004	10	10		FGCEMO
Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1O	ZINC000180120159	705728710	/nfs/dbraw/zinc/72/87/10/705728710.db2.gz	PDKYJUHFLZUVNP-OAHLLOKOSA-N	1	1	350.260	3.324	10	10		FGCEMO
Cc1cc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)c(C)n1-c1ccccn1	ZINC000177204902	495976827	/nfs/dbraw/zinc/97/68/27/495976827.db2.gz	CRLRLYRLGIDSAF-SFHVURJKSA-N	1	1	363.465	3.299	10	10		FGCEMO
COc1cc(Cl)cc(C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1O	ZINC000184687017	496493304	/nfs/dbraw/zinc/49/33/04/496493304.db2.gz	AOSKXECFJUEOCW-GFCCVEGCSA-N	1	1	351.834	3.200	10	10		FGCEMO
CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1	ZINC000167879465	496707409	/nfs/dbraw/zinc/70/74/09/496707409.db2.gz	RXIOBVMQHYDWAM-PBHICJAKSA-N	1	1	373.476	3.002	10	10		FGCEMO
CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	ZINC000152597570	496199068	/nfs/dbraw/zinc/19/90/68/496199068.db2.gz	PMXHBJWNLICOBL-INIZCTEOSA-N	1	1	373.476	3.197	10	10		FGCEMO
Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1	ZINC000190469472	497492562	/nfs/dbraw/zinc/49/25/62/497492562.db2.gz	RGDLPKPNRHFKMS-SFHVURJKSA-N	1	1	358.555	3.471	10	10		FGCEMO
C=Cc1c(C(F)(F)F)nn(Cc2ccc(OC)cc2)c1C(=O)C[N+]#N	ZINC000575415212	505974257	/nfs/dbraw/zinc/97/42/57/505974257.db2.gz	OTYZYIZINGJILW-UHFFFAOYSA-N	1	1	351.308	3.094	10	10		FGCEMO
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000121121606	700666564	/nfs/dbraw/zinc/66/65/64/700666564.db2.gz	ZJKZXRYIFMCECF-LBPRGKRZSA-N	1	1	361.313	3.224	10	10		FGCEMO
C[N@H+](Cc1ccccc1O)C[C@H](O)COc1cccc(Br)c1	ZINC000171937602	705401936	/nfs/dbraw/zinc/40/19/36/705401936.db2.gz	NJQTVUHAGOEBPN-HNNXBMFYSA-N	1	1	366.255	3.026	10	10		FGCEMO
Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H](n2cncn2)C1	ZINC000183049666	495813606	/nfs/dbraw/zinc/81/36/06/495813606.db2.gz	CKJNNPBPXGZIRQ-IBGZPJMESA-N	1	1	364.449	3.400	10	10		FGCEMO
CCn1cc([C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)CCO2)cn1	ZINC000191699575	496858050	/nfs/dbraw/zinc/85/80/50/496858050.db2.gz	ACNKJOZFFCPEMN-OAQYLSRUSA-N	1	1	354.498	3.467	10	10		FGCEMO
CCn1cc([C@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CCO2)cn1	ZINC000191699575	496858058	/nfs/dbraw/zinc/85/80/58/496858058.db2.gz	ACNKJOZFFCPEMN-OAQYLSRUSA-N	1	1	354.498	3.467	10	10		FGCEMO
CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c1	ZINC000093757770	700454222	/nfs/dbraw/zinc/45/42/22/700454222.db2.gz	OLXLUSGTRIEZEA-HNNXBMFYSA-N	1	1	350.459	3.280	10	10		FGCEMO
CC(C)(C)n1cc(CN2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cn1	ZINC000121481939	700673484	/nfs/dbraw/zinc/67/34/84/700673484.db2.gz	KRRITDNPLCIOPD-UHFFFAOYSA-N	1	1	362.905	3.315	10	10		FGCEMO
Cc1noc([C@@H](C)N2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)n1	ZINC000121255303	494668074	/nfs/dbraw/zinc/66/80/74/494668074.db2.gz	RPABADRNRNMEPT-QGZVFWFLSA-N	1	1	369.513	3.247	10	10		FGCEMO
Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1	ZINC000190469491	497493107	/nfs/dbraw/zinc/49/31/07/497493107.db2.gz	RGDLPKPNRHFKMS-GOSISDBHSA-N	1	1	358.555	3.471	10	10		FGCEMO
COc1cc(C)cc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1O	ZINC000164196636	705326191	/nfs/dbraw/zinc/32/61/91/705326191.db2.gz	BFDKXJPURHERRC-HNNXBMFYSA-N	1	1	350.459	3.198	10	10		FGCEMO
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000180124375	705729403	/nfs/dbraw/zinc/72/94/03/705729403.db2.gz	KNBNBTNUPQSMMF-AWEZNQCLSA-N	1	1	350.806	3.123	10	10		FGCEMO
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000180124375	705729404	/nfs/dbraw/zinc/72/94/04/705729404.db2.gz	KNBNBTNUPQSMMF-AWEZNQCLSA-N	1	1	350.806	3.123	10	10		FGCEMO
Cc1nc(C[C@@H]2CCC[N@H+](Cc3cccc(Br)c3O)C2)no1	ZINC000092814069	700442091	/nfs/dbraw/zinc/44/20/91/700442091.db2.gz	QLSUJHVWAJIMPO-LBPRGKRZSA-N	1	1	366.259	3.301	10	10		FGCEMO
Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cccc(Br)c3O)C2)no1	ZINC000092814069	700442093	/nfs/dbraw/zinc/44/20/93/700442093.db2.gz	QLSUJHVWAJIMPO-LBPRGKRZSA-N	1	1	366.259	3.301	10	10		FGCEMO
CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1	ZINC000092812251	494759200	/nfs/dbraw/zinc/75/92/00/494759200.db2.gz	WBGUURDBGGVEKH-QGZVFWFLSA-N	1	1	356.470	3.446	10	10		FGCEMO
CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1	ZINC000092812251	494759203	/nfs/dbraw/zinc/75/92/03/494759203.db2.gz	WBGUURDBGGVEKH-QGZVFWFLSA-N	1	1	356.470	3.446	10	10		FGCEMO
CC(C)C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nc(-c2nc[nH]n2)no1	ZINC000179808093	495742315	/nfs/dbraw/zinc/74/23/15/495742315.db2.gz	FGYDCLSPBZNEOK-XJKSGUPXSA-N	1	1	369.473	3.359	10	10		FGCEMO
Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)n1	ZINC000191341249	496731738	/nfs/dbraw/zinc/73/17/38/496731738.db2.gz	CUFNPXAJNFCFRK-CYBMUJFWSA-N	1	1	352.841	3.305	10	10		FGCEMO
Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)n1	ZINC000191341249	496731739	/nfs/dbraw/zinc/73/17/39/496731739.db2.gz	CUFNPXAJNFCFRK-CYBMUJFWSA-N	1	1	352.841	3.305	10	10		FGCEMO
CC[N@H+]1CCC[C@H]1CN(C)Cc1cc(Br)cc(OC)c1O	ZINC000123377059	700703893	/nfs/dbraw/zinc/70/38/93/700703893.db2.gz	KUEQPOCOYVUUTB-AWEZNQCLSA-N	1	1	357.292	3.079	10	10		FGCEMO
COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c1O	ZINC000184690718	496494457	/nfs/dbraw/zinc/49/44/57/496494457.db2.gz	QINOQUWPAFSHPG-CQSZACIVSA-N	1	1	364.877	3.175	10	10		FGCEMO
Cc1nc(C[C@H]2CCC[N@H+](Cc3cccc(Br)c3O)C2)no1	ZINC000092814070	700442065	/nfs/dbraw/zinc/44/20/65/700442065.db2.gz	QLSUJHVWAJIMPO-GFCCVEGCSA-N	1	1	366.259	3.301	10	10		FGCEMO
Cc1nc(C[C@H]2CCC[N@@H+](Cc3cccc(Br)c3O)C2)no1	ZINC000092814070	700442067	/nfs/dbraw/zinc/44/20/67/700442067.db2.gz	QLSUJHVWAJIMPO-GFCCVEGCSA-N	1	1	366.259	3.301	10	10		FGCEMO
CC[N@H+](Cc1c(C)nn(C)c1OC)Cc1cc(Br)ccc1O	ZINC000093866963	700455525	/nfs/dbraw/zinc/45/55/25/700455525.db2.gz	SOYMSLOVAZGYEV-UHFFFAOYSA-N	1	1	368.275	3.227	10	10		FGCEMO
CC[N@@H+](Cc1c(C)nn(C)c1OC)Cc1cc(Br)ccc1O	ZINC000093866963	700455527	/nfs/dbraw/zinc/45/55/27/700455527.db2.gz	SOYMSLOVAZGYEV-UHFFFAOYSA-N	1	1	368.275	3.227	10	10		FGCEMO
CCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1O	ZINC000092812013	494757731	/nfs/dbraw/zinc/75/77/31/494757731.db2.gz	GVUNPEPTRHTULI-MRXNPFEDSA-N	1	1	356.470	3.446	10	10		FGCEMO
CCOc1cccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1O	ZINC000092812013	494757736	/nfs/dbraw/zinc/75/77/36/494757736.db2.gz	GVUNPEPTRHTULI-MRXNPFEDSA-N	1	1	356.470	3.446	10	10		FGCEMO
Oc1ccc(Br)cc1C[N@H+]1CC[C@H](CNc2ccccn2)C1	ZINC000092812378	700441461	/nfs/dbraw/zinc/44/14/61/700441461.db2.gz	MQOBAVDOJLBYRQ-CYBMUJFWSA-N	1	1	362.271	3.484	10	10		FGCEMO
COc1cc(Br)cc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1O	ZINC000093585198	700452559	/nfs/dbraw/zinc/45/25/59/700452559.db2.gz	XELUGPNDLCRDKW-CXAGYDPISA-N	1	1	370.287	3.290	10	10		FGCEMO
CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)COC(C)(C)C	ZINC000076118588	700224723	/nfs/dbraw/zinc/22/47/23/700224723.db2.gz	VJVWHBCFSDBIQQ-CQSZACIVSA-N	1	1	360.292	3.153	10	10		FGCEMO
CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1	ZINC000167879364	496707252	/nfs/dbraw/zinc/70/72/52/496707252.db2.gz	RXIOBVMQHYDWAM-WMLDXEAASA-N	1	1	373.476	3.002	10	10		FGCEMO
CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1	ZINC000167879261	496707337	/nfs/dbraw/zinc/70/73/37/496707337.db2.gz	RXIOBVMQHYDWAM-YOEHRIQHSA-N	1	1	373.476	3.002	10	10		FGCEMO
Oc1c(Br)cccc1C[NH+]1CCC(Cn2cccn2)CC1	ZINC000122094348	700684266	/nfs/dbraw/zinc/68/42/66/700684266.db2.gz	MRFZMLCJLUAOIB-UHFFFAOYSA-N	1	1	350.260	3.263	10	10		FGCEMO
Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1	ZINC000092813177	494759592	/nfs/dbraw/zinc/75/95/92/494759592.db2.gz	RQBLHAYHQCKBGL-FQEVSTJZSA-N	1	1	366.509	3.161	10	10		FGCEMO
CN(C)c1ccc(C[N@@H+](C)C[C@H](c2cccs2)N2CCOCC2)cc1	ZINC000121703017	700678297	/nfs/dbraw/zinc/67/82/97/700678297.db2.gz	QPPYHJYCJKGTDB-LJQANCHMSA-N	1	1	359.539	3.319	10	10		FGCEMO
COc1cccc(C[N@H+]2CC[C@H](CN(C)Cc3scnc3C)C2)c1O	ZINC000190469850	712815307	/nfs/dbraw/zinc/81/53/07/712815307.db2.gz	PLLBUGCTQRGDHK-OAHLLOKOSA-N	1	1	361.511	3.120	10	10		FGCEMO
CCCn1cc(CN2CCC[N@@H+](Cc3cccc(OCC)c3O)CC2)cn1	ZINC000121668985	494834635	/nfs/dbraw/zinc/83/46/35/494834635.db2.gz	IEOHJHLNDUQBCJ-UHFFFAOYSA-N	1	1	372.513	3.105	10	10		FGCEMO
CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	ZINC000152597478	496198971	/nfs/dbraw/zinc/19/89/71/496198971.db2.gz	PMXHBJWNLICOBL-MRXNPFEDSA-N	1	1	373.476	3.197	10	10		FGCEMO
CCOc1ccc(O)c(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1	ZINC000154905559	705054175	/nfs/dbraw/zinc/05/41/75/705054175.db2.gz	RRJFIIKBWLMGDC-HNNXBMFYSA-N	1	1	350.459	3.280	10	10		FGCEMO
Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1O	ZINC000180120137	705728688	/nfs/dbraw/zinc/72/86/88/705728688.db2.gz	PDKYJUHFLZUVNP-HNNXBMFYSA-N	1	1	350.260	3.324	10	10		FGCEMO
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc(Br)c1[O-]	ZINC000180128363	705729417	/nfs/dbraw/zinc/72/94/17/705729417.db2.gz	QPBVAGYYQDDGOB-CQSZACIVSA-N	1	1	350.260	3.324	10	10		FGCEMO
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc(Br)c1[O-]	ZINC000180128363	705729418	/nfs/dbraw/zinc/72/94/18/705729418.db2.gz	QPBVAGYYQDDGOB-CQSZACIVSA-N	1	1	350.260	3.324	10	10		FGCEMO
CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)COC(C)(C)C	ZINC000076118587	700224634	/nfs/dbraw/zinc/22/46/34/700224634.db2.gz	VJVWHBCFSDBIQQ-AWEZNQCLSA-N	1	1	360.292	3.153	10	10		FGCEMO
Oc1c(Br)cccc1C[NH+]1CCC(Nc2cccnn2)CC1	ZINC000120309407	700652557	/nfs/dbraw/zinc/65/25/57/700652557.db2.gz	LVQBLMNVLOIFHY-UHFFFAOYSA-N	1	1	363.259	3.021	10	10		FGCEMO
Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)c1	ZINC000122966448	700698290	/nfs/dbraw/zinc/69/82/90/700698290.db2.gz	HBYGHBJRIXTZCR-OAHLLOKOSA-N	1	1	350.260	3.497	10	10		FGCEMO
C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1nnc2n1CCCC2	ZINC000131145823	495498029	/nfs/dbraw/zinc/49/80/29/495498029.db2.gz	OHOSITPBVBQTDZ-LSDHHAIUSA-N	1	1	373.476	3.002	10	10		FGCEMO