smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000016779314	525392694	/nfs/dbraw/zinc/39/26/94/525392694.db2.gz	UBQFFPHOBAKHKX-NRFANRHFSA-N	1	0	477.586	4.267	40	30		JIEBRO
COc1cc(/C=N\N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1OC(C)=O	ZINC000012379976	522005607	/nfs/dbraw/zinc/00/56/07/522005607.db2.gz	WOVMFNKIOQCQAO-MIXAMLLLSA-N	1	0	471.557	4.351	40	30		JIEBRO
Cc1ccc(NC(=[NH2+])NC2=N[C@@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N2)cc1	ZINC000022607435	525966914	/nfs/dbraw/zinc/96/69/14/525966914.db2.gz	YDDPGXULXXVESX-NRFANRHFSA-N	1	0	456.506	4.047	40	30		JIEBRO
CC[NH+](CC)CCCNC(=S)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	ZINC000008685681	194476812	/nfs/dbraw/zinc/47/68/12/194476812.db2.gz	CSJUZWLMHOIPKF-UHFFFAOYSA-N	1	0	484.622	4.325	40	30		JIEBRO
C[NH+](C)CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1[C@H]1CC=CCC1	ZINC000009483385	524056347	/nfs/dbraw/zinc/05/63/47/524056347.db2.gz	UYLABOBBWPHWCI-DCFHFQCYSA-N	1	0	464.654	4.355	40	30		JIEBRO
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C(C)C)C(C)C)cc1OC	ZINC000015023265	525225335	/nfs/dbraw/zinc/22/53/35/525225335.db2.gz	BYHHZJANVZDISH-XMMPIXPASA-N	1	0	466.578	4.401	40	30		JIEBRO
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C(C)C)C(C)C)cc1OC	ZINC000015023262	525390293	/nfs/dbraw/zinc/39/02/93/525390293.db2.gz	BYHHZJANVZDISH-DEOSSOPVSA-N	1	0	466.578	4.401	40	30		JIEBRO
Cc1cc(O)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C	ZINC000020309925	555767570	/nfs/dbraw/zinc/76/75/70/555767570.db2.gz	ZUQVDFZMHJZIHA-HXUWFJFHSA-N	1	0	463.361	4.456	40	30		JIEBRO
CC(=NNC(N)=S)[C@@H](C[NH+]1CCCCC1)[C@@H](c1ccccc1)C1COc2ccccc2C1=O	ZINC000102967189	569830284	/nfs/dbraw/zinc/83/02/84/569830284.db2.gz	PYQPPALSFUMXAU-AQGHKZPMSA-N	1	0	464.635	4.443	40	30		JIEBRO
C=C(C)Cc1c2c3ccnc4c3n(c2ccc1OCC(=O)NCCC[NH+](C)C)c(=O)c1ccccc14	ZINC000008792459	554686001	/nfs/dbraw/zinc/68/60/01/554686001.db2.gz	KEUAFOGVSSBYGW-UHFFFAOYSA-N	1	0	482.584	4.157	40	30	biogenic	JIEBRO
Cc1cc(O)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C	ZINC000020309923	555767669	/nfs/dbraw/zinc/76/76/69/555767669.db2.gz	ZUQVDFZMHJZIHA-FQEVSTJZSA-N	1	0	463.361	4.456	40	30		JIEBRO
O=C(C1=C(O)C(=O)N(CCC[NH2+]CCO)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000015080868	527670907	/nfs/dbraw/zinc/67/09/07/527670907.db2.gz	OMXKLSKIYMSPQF-LJQANCHMSA-N	1	0	483.779	4.197	40	30		JIEBRO
C[NH+](C)CCCNc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C(F)(F)F)n1	ZINC000329051966	570183152	/nfs/dbraw/zinc/18/31/52/570183152.db2.gz	VARIDFQNNUUCSH-UHFFFAOYSA-N	1	0	475.359	4.484	40	30		JIEBRO
CN1CC[NH+](C[C@H](O)CO/N=C(/c2cc3ccccc3o2)C2CC(C)(c3ccccc3)C2)CC1	ZINC000020528713	523906413	/nfs/dbraw/zinc/90/64/13/523906413.db2.gz	HPIJBBGTQSUOMB-FANXEZMUSA-N	1	0	461.606	4.130	40	30		JIEBRO
Cn1nc(-c2cccs2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc(C#N)c1	ZINC000008636174	560106751	/nfs/dbraw/zinc/10/67/51/560106751.db2.gz	FWASGRIPYJPQAQ-SXLOBPIMSA-N	1	0	462.648	4.185	40	30	biogenic,in-vitro	JIEBRO
C=CCN(C)C(=O)CCc1c(C)nc2cc([C@@H]3CCC[N@H+](Cc4cccc(C)c4)C3)[n-]n2c1=O	ZINC000257282578	570133430	/nfs/dbraw/zinc/13/34/30/570133430.db2.gz	OUJCEKBOAIYPJK-JOCHJYFZSA-N	1	0	461.610	4.008	40	30		JIEBRO
C[NH+](C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C(F)(F)F)n1	ZINC000328984126	570180562	/nfs/dbraw/zinc/18/05/62/570180562.db2.gz	HLQUEYFQNCAAFJ-UHFFFAOYSA-N	1	0	461.332	4.094	40	30		JIEBRO
CN1CC[NH+](C[C@@H](O)CO/N=C(/c2cc3ccccc3o2)C2CC(C)(c3ccccc3)C2)CC1	ZINC000020528711	523905701	/nfs/dbraw/zinc/90/57/01/523905701.db2.gz	HPIJBBGTQSUOMB-MXNYLIEQSA-N	1	0	461.606	4.130	40	30		JIEBRO
[NH2+]=C(Nc1ccc(Br)cc1)S[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O	ZINC000018115828	556289618	/nfs/dbraw/zinc/28/96/18/556289618.db2.gz	ABGUKDNBKWPYTC-CQSZACIVSA-N	1	0	483.185	4.223	40	30		JIEBRO
CCOc1cc(NC(=S)NCCC[NH+](C)C)c(OCC)cc1NC(=O)c1cccs1	ZINC000008686295	562952735	/nfs/dbraw/zinc/95/27/35/562952735.db2.gz	BCTRYMUJHXPBFT-UHFFFAOYSA-N	1	0	450.630	4.256	40	30		JIEBRO
CC(=NNC(N)=S)[C@@H](C[NH+]1CCCCC1)[C@@H](c1ccccc1)C1COc2ccccc2C1=O	ZINC000104296390	569844907	/nfs/dbraw/zinc/84/49/07/569844907.db2.gz	PYQPPALSFUMXAU-YYPZQEMISA-N	1	0	464.635	4.443	40	30		JIEBRO
C[C@]12CCC[C@@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1	ZINC000008791042	554684191	/nfs/dbraw/zinc/68/41/91/554684191.db2.gz	ZUVFLFLCXSNTLA-UWYNIXQCSA-N	1	0	460.014	4.150	40	30		JIEBRO
C=CCc1cc(OC)ccc1OC[C@@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000027530876	556290976	/nfs/dbraw/zinc/29/09/76/556290976.db2.gz	YOWTXKKSVJALOP-NRFANRHFSA-N	1	0	450.501	4.004	40	30		JIEBRO
CC[NH+](CC)CCCNc1oc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)nc1C#N	ZINC000036628106	569779074	/nfs/dbraw/zinc/77/90/74/569779074.db2.gz	NKFQXOUMUFLULF-UHFFFAOYSA-N	1	0	481.622	4.178	40	30		JIEBRO
COC(=O)C[N+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2ccc(Cl)cc2Cl)OCO3)C1	ZINC000008920324	523362818	/nfs/dbraw/zinc/36/28/18/523362818.db2.gz	XAQBDLFJHZWJEJ-FNORWQNLSA-N	1	0	493.363	4.303	40	30		JIEBRO
COC(=O)CSc1nc(-c2ccc(N3CC[NH+](C)CC3)cc2)cc(-c2ccccc2)c1C#N	ZINC000008742336	554644813	/nfs/dbraw/zinc/64/48/13/554644813.db2.gz	BSEGSENYJZVDFQ-UHFFFAOYSA-N	1	0	458.587	4.304	40	30		JIEBRO
C[NH2+]Cc1cc(C)nc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@@H]5C4=O)cc3s2)c1C#N	ZINC000408750575	570034020	/nfs/dbraw/zinc/03/40/20/570034020.db2.gz	OYIPZWZNLXWJFQ-CALCHBBNSA-N	1	0	477.615	4.422	40	30		JIEBRO
[O-]/N=C(\c1c[nH]c2ccccc12)[C@@H](O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccccn2)CC1	ZINC000068561972	569691172	/nfs/dbraw/zinc/69/11/72/569691172.db2.gz	KQDPOEKIIQHQTO-IETYAIJZSA-N	1	0	475.980	4.319	40	30		JIEBRO
C[C@@H]1CC(=O)N=N[C@H]1c1ccc(NCC(C)(C)[NH2+]C[C@@H](O)COc2cc(Cl)ccc2C#N)cc1	ZINC000263589304	570172505	/nfs/dbraw/zinc/17/25/05/570172505.db2.gz	ICQFGAKVDMAKCK-QVJSAIJNSA-N	1	0	484.000	4.491	40	30		JIEBRO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CCc5cc(OC)c(OC)cc5[C@@H]4CCO)[C@H]3C[C@@H]12	ZINC000035363884	569682770	/nfs/dbraw/zinc/68/27/70/569682770.db2.gz	QAVKKTGTMMWWSF-WWJQYEKBSA-N	1	0	469.622	4.300	40	30		JIEBRO
CC[NH+](CC)CCCNc1oc(-c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)nc1C#N	ZINC000036628032	569779083	/nfs/dbraw/zinc/77/90/83/569779083.db2.gz	HJIMYZBJIOUHIO-UHFFFAOYSA-N	1	0	493.633	4.104	40	30		JIEBRO
O=C1c2ccc(cc2)C[C@H]2CCCCN2S(=O)(=O)c2cccc(c2)NC(=S)C1[n+]1ccccc1	ZINC000017126997	556220886	/nfs/dbraw/zinc/22/08/86/556220886.db2.gz	DSIPMYNLXDTVCC-JOCHJYFZSA-O	1	0	492.646	4.124	40	30		JIEBRO
Cc1nc(-c2ccc(N(C)C)cc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3C[NH2+]Cc2cccc(C#N)c2)n1	ZINC000039960767	560085890	/nfs/dbraw/zinc/08/58/90/560085890.db2.gz	PBFVAUATZUVSIJ-OIKPOIBNSA-N	1	0	466.633	4.357	40	30	biogenic,in-vitro	JIEBRO
CC(=NNC(N)=S)[C@H](C[NH+]1CCCCC1)[C@@H](c1ccccc1)C1COc2ccccc2C1=O	ZINC000104296399	569844856	/nfs/dbraw/zinc/84/48/56/569844856.db2.gz	PYQPPALSFUMXAU-ABZCZWEFSA-N	1	0	464.635	4.443	40	30		JIEBRO
C[NH2+]Cc1cc(C)nc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c1C#N	ZINC000408750576	570034024	/nfs/dbraw/zinc/03/40/24/570034024.db2.gz	OYIPZWZNLXWJFQ-IAGOWNOFSA-N	1	0	477.615	4.422	40	30		JIEBRO
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2cc[nH+]cc2)c1C	ZINC000409305952	570197949	/nfs/dbraw/zinc/19/79/49/570197949.db2.gz	NZHUBEMHDXFYRK-UHFFFAOYSA-N	1	0	450.340	4.406	40	30		JIEBRO
O=C(C1=C(O)C(=O)N(CCC[NH2+]CCO)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000015080866	527671711	/nfs/dbraw/zinc/67/17/11/527671711.db2.gz	OMXKLSKIYMSPQF-IBGZPJMESA-N	1	0	483.779	4.197	40	30		JIEBRO
[O-]/N=C(\c1c[nH]c2ccccc12)[C@H](O)[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccccn2)CC1	ZINC000068561975	569691138	/nfs/dbraw/zinc/69/11/38/569691138.db2.gz	KQDPOEKIIQHQTO-YUBXZRBFSA-N	1	0	475.980	4.319	40	30		JIEBRO
O[C@@H](C[NH2+]Cc1ccccc1)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF	ZINC000100238853	569756074	/nfs/dbraw/zinc/75/60/74/569756074.db2.gz	IMAXLOATSYHDEV-LBPRGKRZSA-N	1	0	477.314	4.300	40	30		JIEBRO
Cn1cc(C[N@H+]2C[C@H]3C[C@H](Cn4c3ccc(NC(=O)Nc3cccc(C#N)c3)c4=O)C2)c2ccccc21	ZINC000003842059	194363750	/nfs/dbraw/zinc/36/37/50/194363750.db2.gz	VHFOMFCEHOCODL-LEWJYISDSA-N	1	0	492.583	4.475	40	30	biogenic,in-vitro	JIEBRO
Cn1cc(C[N@H+]2C[C@H]3C[C@H](Cn4c3ccc(NC(=O)c3ccc(C#N)cc3)c4=O)C2)c2ccccc21	ZINC000003841799	194363869	/nfs/dbraw/zinc/36/38/69/194363869.db2.gz	SKXGYZKZLNHMFT-RBBKRZOGSA-N	1	0	477.568	4.083	40	30	biogenic,in-vitro	JIEBRO
COc1ccc(/N=C2\S/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)N2CC[NH+](C)C)cc1	ZINC000102925156	536613705	/nfs/dbraw/zinc/61/37/05/536613705.db2.gz	WWGKYTVOQWOYFW-DNLCFCFBSA-N	1	0	460.943	4.422	40	30		JIEBRO
O[C@H](C[NH2+]Cc1ccccc1)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF	ZINC000100238854	569756086	/nfs/dbraw/zinc/75/60/86/569756086.db2.gz	IMAXLOATSYHDEV-GFCCVEGCSA-N	1	0	477.314	4.300	40	30		JIEBRO
C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1	ZINC000008791040	554684285	/nfs/dbraw/zinc/68/42/85/554684285.db2.gz	ZUVFLFLCXSNTLA-ZLQOAXGPSA-N	1	0	460.014	4.150	40	30		JIEBRO
O=C(C[N+]12CC[C@@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54)c1ccc(Cl)cc1	ZINC000009007848	554861551	/nfs/dbraw/zinc/86/15/51/554861551.db2.gz	MSYMCKLPOMNBQJ-RVVCPWRASA-N	1	0	488.007	4.144	40	30		JIEBRO
CN(C)c1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4CNC(=S)Nc3cccc(C#N)c3)n(C)n2)cc1	ZINC000008635358	565098117	/nfs/dbraw/zinc/09/81/17/565098117.db2.gz	WNVYWNHHSVGBDM-GPUOULLFSA-N	1	0	499.688	4.189	40	30	biogenic,in-vitro	JIEBRO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CCc5cc(OC)c(OC)cc5[C@@H]4CCO)[C@H]3C[C@H]12	ZINC000012883113	556123960	/nfs/dbraw/zinc/12/39/60/556123960.db2.gz	QAVKKTGTMMWWSF-NTCVJQIISA-N	1	0	469.622	4.300	40	30		JIEBRO
[O-]/N=C(\c1c[nH]c2ccccc12)[C@H](O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccccn2)CC1	ZINC000068561968	569691077	/nfs/dbraw/zinc/69/10/77/569691077.db2.gz	KQDPOEKIIQHQTO-QEVLPLDESA-N	1	0	475.980	4.319	40	30		JIEBRO
CC(=NNC(N)=S)[C@H](C[NH+]1CCCCC1)[C@@H](c1ccccc1)C1COc2ccccc2C1=O	ZINC000102967190	569830263	/nfs/dbraw/zinc/83/02/63/569830263.db2.gz	PYQPPALSFUMXAU-NVAPEYQRSA-N	1	0	464.635	4.443	40	30		JIEBRO
C[C@@H]1CC(=O)N=N[C@@H]1c1ccc(NCC(C)(C)[NH2+]C[C@@H](O)COc2cc(Cl)ccc2C#N)cc1	ZINC000263589305	570172492	/nfs/dbraw/zinc/17/24/92/570172492.db2.gz	ICQFGAKVDMAKCK-WONHAXNMSA-N	1	0	484.000	4.491	40	30		JIEBRO
COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(NC[C@@H]([NH3+])CS)cc1-c1cccc2ccccc21	ZINC000028340894	556331875	/nfs/dbraw/zinc/33/18/75/556331875.db2.gz	XVWPFYDMUFBHBF-KBMIEXCESA-N	1	0	479.646	4.493	40	30	in-vitro	JIEBRO
C=CC[N@H+]1CC[C@]23c4c5c(OC(=O)CCCCCCCC)ccc4C[C@H]1[C@]2(O)CCC(=O)[C@@H]3O5	ZINC000102996856	569831128	/nfs/dbraw/zinc/83/11/28/569831128.db2.gz	YWZDAAWBEIZRMC-GBQNYCKYSA-N	1	0	467.606	4.252	40	30		JIEBRO
C[C@@H]1CC(=O)N=N[C@@H]1c1ccc(NCC(C)(C)[NH2+]C[C@H](O)COc2cc(Cl)ccc2C#N)cc1	ZINC000095869716	129926692	/nfs/dbraw/zinc/92/66/92/129926692.db2.gz	ICQFGAKVDMAKCK-YOJAFSQSSA-N	1	0	484.000	4.491	40	30		JIEBRO
C=CCN(C)C(=O)CCc1c(C)nc2cc([C@H]3CCC[N@H+](Cc4cccc(C)c4)C3)[n-]n2c1=O	ZINC000257282579	570133451	/nfs/dbraw/zinc/13/34/51/570133451.db2.gz	OUJCEKBOAIYPJK-QFIPXVFZSA-N	1	0	461.610	4.008	40	30		JIEBRO
C[NH+](C)CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1[C@H]1CC=CCC1	ZINC000009483386	524056384	/nfs/dbraw/zinc/05/63/84/524056384.db2.gz	UYLABOBBWPHWCI-CCLHPLFOSA-N	1	0	464.654	4.355	40	30		JIEBRO
COc1cc2c(cc1OC)[C@H](C)[N@H+](C[C@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@H]4C[C@@H]31)CC2	ZINC000008762518	554662168	/nfs/dbraw/zinc/66/21/68/554662168.db2.gz	UCSAOIGRLWQSRE-SAFUCCDOSA-N	1	0	455.595	4.150	40	30		JIEBRO
O=C1c2ccccc2C(=O)C1=Cc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000059490088	569606039	/nfs/dbraw/zinc/60/60/39/569606039.db2.gz	DMJIQFQCPYEKPX-UHFFFAOYSA-N	1	0	453.498	4.380	40	30		JIEBRO
COc1ccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000016779316	525225393	/nfs/dbraw/zinc/22/53/93/525225393.db2.gz	UBQFFPHOBAKHKX-OAQYLSRUSA-N	1	0	477.586	4.267	40	30		JIEBRO
Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccc(F)c1	ZINC000016807357	526601167	/nfs/dbraw/zinc/60/11/67/526601167.db2.gz	NHEGENQRCNGSOV-FQEVSTJZSA-N	1	0	465.550	4.398	40	30		JIEBRO
N#Cc1cccc(NC(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@H+](Cc3ccc(F)cc3)C2)c1	ZINC000020503676	526720870	/nfs/dbraw/zinc/72/08/70/526720870.db2.gz	OUBMKAJLCYVFCM-VQTJNVASSA-N	1	0	457.509	4.122	40	30	biogenic,in-vitro	JIEBRO
C=CCc1cc(OC)ccc1OC[C@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000027530878	556291018	/nfs/dbraw/zinc/29/10/18/556291018.db2.gz	YOWTXKKSVJALOP-OAQYLSRUSA-N	1	0	450.501	4.004	40	30		JIEBRO
NC(C=Cc1ccccc1)=[NH+]N(Nc1cc2cccsc-2n1)c1ccc2c(=O)[nH][nH]c(=O)c2c1	ZINC000071404902	569696982	/nfs/dbraw/zinc/69/69/82/569696982.db2.gz	HYLSLFYJBXJDRX-DHZHZOJOSA-N	1	0	469.530	4.009	40	30		JIEBRO
C[NH2+]Cc1cc(C)nc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c1C#N	ZINC000408750577	570034015	/nfs/dbraw/zinc/03/40/15/570034015.db2.gz	OYIPZWZNLXWJFQ-IRXDYDNUSA-N	1	0	477.615	4.422	40	30		JIEBRO
C[NH+](C)CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1[C@@H]1CC=CCC1	ZINC000226620342	570038111	/nfs/dbraw/zinc/03/81/11/570038111.db2.gz	UYLABOBBWPHWCI-NFQMXDRXSA-N	1	0	464.654	4.355	40	30		JIEBRO
Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccc(F)c1	ZINC000016807359	526600609	/nfs/dbraw/zinc/60/06/09/526600609.db2.gz	NHEGENQRCNGSOV-HXUWFJFHSA-N	1	0	465.550	4.398	40	30		JIEBRO
[NH2+]=C(Nc1ccc(Br)cc1)S[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O	ZINC000015134111	526811886	/nfs/dbraw/zinc/81/18/86/526811886.db2.gz	ABGUKDNBKWPYTC-AWEZNQCLSA-N	1	0	483.185	4.223	40	30		JIEBRO
[O-]/N=C(\c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccccn2)CC1	ZINC000068561980	569691109	/nfs/dbraw/zinc/69/11/09/569691109.db2.gz	KQDPOEKIIQHQTO-DDFQGNLESA-N	1	0	475.980	4.319	40	30		JIEBRO
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)C[N+]1(CC(=O)O[C@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)CCOCC1)C2	ZINC000217817474	569881692	/nfs/dbraw/zinc/88/16/92/569881692.db2.gz	ZCAUOVGMFSRWCT-WZBGMGQQSA-N	1	0	476.678	4.349	40	30		JIEBRO
C[NH+](C)CCCNc1nc(Nc2cccc(F)c2C#N)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000328976192	570180227	/nfs/dbraw/zinc/18/02/27/570180227.db2.gz	FNLRDIJHKAAXOM-UHFFFAOYSA-N	1	0	474.462	4.004	40	30		JIEBRO
CCCOc1cc(C[NH2+]CCc2ccccc2)cc(I)c1OCC#N	ZINC000036611756	520306544	/nfs/dbraw/zinc/30/65/44/520306544.db2.gz	OOPLZNTVLVQFKA-UHFFFAOYSA-N	1	0	450.320	4.315	40	30		JIEBRO
COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCCC[NH+](C)C	ZINC000010343863	524747922	/nfs/dbraw/zinc/74/79/22/524747922.db2.gz	LTJLELKWJLQDAI-MUUNZHRXSA-N	1	0	490.648	4.380	40	30		JIEBRO
Cc1ccc(NC(=[NH2+])NC2=N[C@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N2)cc1	ZINC000022607437	525966708	/nfs/dbraw/zinc/96/67/08/525966708.db2.gz	YDDPGXULXXVESX-OAQYLSRUSA-N	1	0	456.506	4.047	40	30		JIEBRO
COc1cc2c(cc1OC)[C@H](C)[N@H+](C[C@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@@H]31)CC2	ZINC000008762517	554662158	/nfs/dbraw/zinc/66/21/58/554662158.db2.gz	UCSAOIGRLWQSRE-YIIYEXDESA-N	1	0	455.595	4.150	40	30		JIEBRO
C[C@@H]1CC(=O)N=N[C@H]1c1ccc(NCC(C)(C)[NH2+]C[C@H](O)COc2cc(Cl)ccc2C#N)cc1	ZINC000095869718	569729317	/nfs/dbraw/zinc/72/93/17/569729317.db2.gz	ICQFGAKVDMAKCK-FBJLLXQBSA-N	1	0	484.000	4.491	40	30		JIEBRO
C[NH+](C)CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1[C@@H]1CC=CCC1	ZINC000226620335	570038131	/nfs/dbraw/zinc/03/81/31/570038131.db2.gz	UYLABOBBWPHWCI-HRFSGMKKSA-N	1	0	464.654	4.355	40	30		JIEBRO
C=CCOc1c(Br)cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1OC	ZINC000022108392	519001467	/nfs/dbraw/zinc/00/14/67/519001467.db2.gz	VZBHUUCRARJZJX-UHFFFAOYSA-N	1	0	490.427	4.270	40	30		JIEBRO
COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCCC[NH+](C)C	ZINC000010343862	524805160	/nfs/dbraw/zinc/80/51/60/524805160.db2.gz	LTJLELKWJLQDAI-NDEPHWFRSA-N	1	0	490.648	4.380	40	30		JIEBRO