smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N+]1(C[C@H]2[C@H](C)CC(C)=C[C@@H]2C)CCCCC1	ZINC000103140723	717146198	/nfs/dbraw/zinc/14/61/98/717146198.db2.gz	UDMJNZRMOVJSLS-RCCFBDPRSA-N	1	0	262.461	4.412	50	30		CIEARO
CC[C@@H](C)[C@](C#N)(CC[NH+]1CCCCC1)c1ccccc1	ZINC000000000284	169502293	/nfs/dbraw/zinc/50/22/93/169502293.db2.gz	JHWFWJSHRYEDOF-IEBWSBKVSA-N	1	0	284.447	4.370	50	30		CIEARO
CC[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000005247799	170078768	/nfs/dbraw/zinc/07/87/68/170078768.db2.gz	KELKCHCDSYUMCO-VPSQOLIPSA-N	1	0	294.398	4.319	50	30		CIEARO
C=CCOc1ccc(C[NH2+]C2CCCCC2)cc1OCC	ZINC000006355072	170194869	/nfs/dbraw/zinc/19/48/69/170194869.db2.gz	HOKJATSNTXPWAE-UHFFFAOYSA-N	1	0	289.419	4.072	50	30		CIEARO
N#CC1(c2ccccc2)CCC([NH2+]Cc2ccccc2)CC1	ZINC000006650881	170222338	/nfs/dbraw/zinc/22/23/38/170222338.db2.gz	YCTQBMUAJRENSB-UHFFFAOYSA-N	1	0	290.410	4.180	50	30		CIEARO
C=CCOc1ccc(C[NH2+]CCC2=CCCCC2)cc1	ZINC000013723710	170582006	/nfs/dbraw/zinc/58/20/06/170582006.db2.gz	ALPNMRZFZGDUPD-UHFFFAOYSA-N	1	0	271.404	4.232	50	30		CIEARO
C=CC[NH+](CC=C)CCOc1ccc(Cl)c(Cl)c1	ZINC000020272729	171127792	/nfs/dbraw/zinc/12/77/92/171127792.db2.gz	OMHTVJKQILPSIG-UHFFFAOYSA-N	1	0	286.202	4.046	50	30		CIEARO
CC(C)=[NH+]C[C@H](C)C(O)(c1ccccc1)c1ccccc1	ZINC000031570778	260142345	/nfs/dbraw/zinc/14/23/45/260142345.db2.gz	OXJDSESRLSBTCU-INIZCTEOSA-N	1	0	281.399	4.039	50	30		CIEARO
CCCCCCCCCCCC[n+]1ccn(C)c1	ZINC000002585521	520016118	/nfs/dbraw/zinc/01/61/18/520016118.db2.gz	ILQHIGIKULUQFQ-UHFFFAOYSA-N	1	0	251.438	4.234	50	30	in-vitro	CIEARO
CC[NH+](CC)CC#CC(c1ccccc1)c1ccccc1	ZINC000001295976	566860225	/nfs/dbraw/zinc/86/02/25/566860225.db2.gz	IGRUZQSJOFTRTG-UHFFFAOYSA-N	1	0	277.411	4.164	50	30		CIEARO
C=C(C)COc1ccccc1CN(C)[C@H](C)c1ccccn1	ZINC000055224888	566869754	/nfs/dbraw/zinc/86/97/54/566869754.db2.gz	BIIOKAKPXFESTM-MRXNPFEDSA-N	1	0	296.414	4.230	50	30		CIEARO
C=CC[NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12	ZINC000057353123	566871636	/nfs/dbraw/zinc/87/16/36/566871636.db2.gz	FSPJXGZKTYJQQF-UHFFFAOYSA-N	1	0	294.373	4.104	50	30		CIEARO
C=CC[C@@H]1C=C(Cc2ccccc2)C[C@@H](CC=C)[NH2+]1	ZINC000004141401	566889527	/nfs/dbraw/zinc/88/95/27/566889527.db2.gz	PFOAIMHDKWUDIQ-QZTJIDSGSA-N	1	0	253.389	4.038	50	30		CIEARO
CCCCCCCCCCCC[NH2+]CCC(=O)OCC	ZINC000100921898	566919134	/nfs/dbraw/zinc/91/91/34/566919134.db2.gz	YDLAWDGMGXNINT-UHFFFAOYSA-N	1	0	285.472	4.450	50	30		CIEARO
CCCCC[C@H](C[N+](C)(C)C)C(=O)/C=C/c1ccccc1	ZINC000001898802	566970554	/nfs/dbraw/zinc/97/05/54/566970554.db2.gz	DELWKBXATAWMQG-LGHUBQEGSA-N	1	0	288.455	4.172	50	30		CIEARO
C=CCC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000036096850	566994795	/nfs/dbraw/zinc/99/47/95/566994795.db2.gz	PKPGWWZXIMIPLU-HXUWFJFHSA-N	1	0	295.426	4.016	50	30		CIEARO
C=CCc1ccccc1OCCC[NH+]1CCCCCC1	ZINC000002838984	567849310	/nfs/dbraw/zinc/84/93/10/567849310.db2.gz	MUOZAELRIWYPOH-UHFFFAOYSA-N	1	0	273.420	4.060	50	30		CIEARO
C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(Cl)c1	ZINC000011038160	567883881	/nfs/dbraw/zinc/88/38/81/567883881.db2.gz	AYYHIIXBUHCHBN-LBPRGKRZSA-N	1	0	270.763	4.062	50	30		CIEARO
CCC(CC)(CC)[NH2+]Cc1cc(Cl)ccc1OCC#N	ZINC000072308618	567886645	/nfs/dbraw/zinc/88/66/45/567886645.db2.gz	STEMHNLOEPVVJR-UHFFFAOYSA-N	1	0	294.826	4.301	50	30		CIEARO
O=[N+](Cc1ccc(Cl)cc1Cl)c1ccccc1	ZINC000000078420	567907383	/nfs/dbraw/zinc/90/73/83/567907383.db2.gz	HUEMILSYRIWOAB-SXGWCWSVSA-N	1	0	266.127	4.254	50	30		CIEARO
CCCCNC1=CC(=[NH+]CCCC)c2ccccc21	ZINC000100470276	567913305	/nfs/dbraw/zinc/91/33/05/567913305.db2.gz	CABIGGVIZZWFSL-ZPHPHTNESA-N	1	0	256.393	4.020	50	30		CIEARO
CCCCCCC[NH2+]Cc1ccc(OC)c(Cl)c1	ZINC000104465516	567916909	/nfs/dbraw/zinc/91/69/09/567916909.db2.gz	RSAKFCGOXGSNAE-UHFFFAOYSA-N	1	0	269.816	4.409	50	30		CIEARO
CCCCCCC[NH2+]Cc1cc(Cl)cc(OC)c1OC	ZINC000106962732	567917189	/nfs/dbraw/zinc/91/71/89/567917189.db2.gz	RXRGRESJIPPXSU-UHFFFAOYSA-N	1	0	299.842	4.417	50	30		CIEARO
CCCCCCCC[NH2+]Cc1cccc(OC)c1OC	ZINC000100048702	570257572	/nfs/dbraw/zinc/25/75/72/570257572.db2.gz	SRIVLDUUHXWLAG-UHFFFAOYSA-N	1	0	279.424	4.154	50	30		CIEARO
C[C@H](c1ccccc1Cl)[N@H+](C)CCC(C)(C)C#N	ZINC000087595565	570338072	/nfs/dbraw/zinc/33/80/72/570338072.db2.gz	CBCKDVSUZHBBIU-GFCCVEGCSA-N	1	0	264.800	4.273	50	30		CIEARO
C[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1	ZINC000096903511	185127932	/nfs/dbraw/zinc/12/79/32/185127932.db2.gz	WRZFUOOSXMQGBT-HFBFDXTGSA-N	1	0	294.398	4.271	50	30		CIEARO
C=CCc1cccc(C)c1OCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000004905937	170039291	/nfs/dbraw/zinc/03/92/91/170039291.db2.gz	KEVGSSGBDNQOAR-IYBDPMFKSA-N	1	0	287.447	4.080	50	30		CIEARO
C(#CC[NH+]1CCCC1)C=C(c1ccccc1)c1ccccc1	ZINC000020792645	171272592	/nfs/dbraw/zinc/27/25/92/171272592.db2.gz	JAGMRZRACIZTIH-UHFFFAOYSA-N	1	0	287.406	4.218	50	30		CIEARO
CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC000035255164	172084939	/nfs/dbraw/zinc/08/49/39/172084939.db2.gz	WEUIHWIUBGYHOW-IAGOWNOFSA-N	1	0	270.420	4.253	50	30		CIEARO
CCCCCCCCCCCC(=O)OCC[N+](C)(C)C	ZINC000043379970	175031396	/nfs/dbraw/zinc/03/13/96/175031396.db2.gz	QUDMPGCGJQLFPF-UHFFFAOYSA-N	1	0	286.480	4.157	50	30	in-vitro	CIEARO
C=CCc1cc(Cl)ccc1OCC[NH+]1CCC(C)CC1	ZINC000003001907	519132826	/nfs/dbraw/zinc/13/28/26/519132826.db2.gz	BEEWPTXWAHGUEU-UHFFFAOYSA-N	1	0	293.838	4.179	50	30		CIEARO
C=CC[NH2+]CCCCOc1ccc(C)cc1C(C)(C)C	ZINC000004568372	567945364	/nfs/dbraw/zinc/94/53/64/567945364.db2.gz	VEUMJOLTCKSNQC-UHFFFAOYSA-N	1	0	275.436	4.227	50	30		CIEARO
C[C@H](CCC#N)[N@H+](C)Cc1ccccc1-c1ccccc1	ZINC000170607405	567013946	/nfs/dbraw/zinc/01/39/46/567013946.db2.gz	MQXYOUSEJKKLNG-MRXNPFEDSA-N	1	0	278.399	4.478	50	30		CIEARO
O=[N+](c1ccccc1)C(c1ccccc1)c1ccccc1	ZINC000001686891	567841474	/nfs/dbraw/zinc/84/14/74/567841474.db2.gz	WYRCRWYYHOUDLM-UHFFFAOYSA-N	1	0	273.335	4.366	50	30		CIEARO
CCCCCCCCCCCC[NH2+]CCC(=O)OC	ZINC000101362793	567937192	/nfs/dbraw/zinc/93/71/92/567937192.db2.gz	BNRQPJBZVLGIGH-UHFFFAOYSA-N	1	0	271.445	4.060	50	30		CIEARO
Cc1[nH+]c2ccccc2c(N)c1C(=O)/C=C/c1ccccc1	ZINC000018222325	567940649	/nfs/dbraw/zinc/94/06/49/567940649.db2.gz	IDGQTOBCUORHBJ-VAWYXSNFSA-N	1	0	288.350	4.022	50	30		CIEARO
C[C@H](c1ccc(-c2ccc(C#N)nc2)cc1)[NH+]1CCCCC1	ZINC000065526331	570393279	/nfs/dbraw/zinc/39/32/79/570393279.db2.gz	KCBFWLGKPHBZMA-OAHLLOKOSA-N	1	0	291.398	4.167	50	30		CIEARO
C[C@@H](c1ccc(-c2ncccc2C#N)cc1)[NH+]1CCCCC1	ZINC000426537724	570394443	/nfs/dbraw/zinc/39/44/43/570394443.db2.gz	PSPRAKBMPGPJIK-HNNXBMFYSA-N	1	0	291.398	4.167	50	30		CIEARO
C[C@H](c1ccc(-c2ncccc2C#N)cc1)[NH+]1CCCCC1	ZINC000426537725	570394480	/nfs/dbraw/zinc/39/44/80/570394480.db2.gz	PSPRAKBMPGPJIK-OAHLLOKOSA-N	1	0	291.398	4.167	50	30		CIEARO
CCCCCCC[NH2+]Cc1ccccc1OCCOCC	ZINC000100027382	185702228	/nfs/dbraw/zinc/70/22/28/185702228.db2.gz	WHOSAIQOVJAWFI-UHFFFAOYSA-N	1	0	293.451	4.162	50	30		CIEARO
C=CC[NH2+]CCCCOc1c(C)cccc1C(C)(C)C	ZINC000004845239	170029837	/nfs/dbraw/zinc/02/98/37/170029837.db2.gz	RKTNPGWEYDEXRR-UHFFFAOYSA-N	1	0	275.436	4.227	50	30		CIEARO
C=C(C)Cn1c2ccccc2nc1[C@@H](C)[NH+]1CCCCC1	ZINC000005210125	170076176	/nfs/dbraw/zinc/07/61/76/170076176.db2.gz	UVLYFPGHWZZQPA-OAHLLOKOSA-N	1	0	283.419	4.159	50	30		CIEARO
C=CCOc1c(Cl)cc(C[NH2+]CCCCC)cc1OC	ZINC000006427693	170200548	/nfs/dbraw/zinc/20/05/48/170200548.db2.gz	BNIUQRBCNGJPDJ-UHFFFAOYSA-N	1	0	297.826	4.193	50	30		CIEARO
C=CCOc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1	ZINC000006587452	170216710	/nfs/dbraw/zinc/21/67/10/170216710.db2.gz	KEYFJLJHCAAQGQ-OAHLLOKOSA-N	1	0	267.372	4.102	50	30		CIEARO
C=CC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1	ZINC000006855883	170249399	/nfs/dbraw/zinc/24/93/99/170249399.db2.gz	KADIQHGUBAEUET-UHFFFAOYSA-N	1	0	287.790	4.195	50	30		CIEARO
C=CCOc1ccc(C[NH2+]C2CCCCCC2)cc1	ZINC000006856060	170249828	/nfs/dbraw/zinc/24/98/28/170249828.db2.gz	XCPIBRZGNFFUNS-UHFFFAOYSA-N	1	0	259.393	4.064	50	30		CIEARO
C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc2ccccc2o1	ZINC000022817409	171399783	/nfs/dbraw/zinc/39/97/83/171399783.db2.gz	VUYUOHYLZJSHTN-CYBMUJFWSA-N	1	0	276.339	4.155	50	30		CIEARO
CC(C)[NH+](CC[C@H](C#N)c1ccccc1Cl)C(C)C	ZINC000039254053	174167376	/nfs/dbraw/zinc/16/73/76/174167376.db2.gz	ORSSVOYOHRFPIV-CQSZACIVSA-N	1	0	278.827	4.456	50	30		CIEARO
C=CC[NH2+]Cc1cccc(OCc2cccc(Cl)c2)c1	ZINC000040738974	174390129	/nfs/dbraw/zinc/39/01/29/174390129.db2.gz	MWGJGCWAGKIFNW-UHFFFAOYSA-N	1	0	287.790	4.195	50	30		CIEARO
C/[S+]=c1\ssc2c1-c1ccccc1NC2(C)C	ZINC000003880319	326807958	/nfs/dbraw/zinc/80/79/58/326807958.db2.gz	JCKHGFUUUVNDPU-UHFFFAOYSA-N	1	0	280.463	4.382	50	30		CIEARO
C=CC[NH+](CC=C)CCCOc1cccc2ccccc21	ZINC000003003762	518768746	/nfs/dbraw/zinc/76/87/46/518768746.db2.gz	FGAONGYWWQWEFU-UHFFFAOYSA-N	1	0	281.399	4.283	50	30		CIEARO
C=CCc1cc(Cl)ccc1OCC[NH+]1CCCCCC1	ZINC000004978783	527244774	/nfs/dbraw/zinc/24/47/74/527244774.db2.gz	PMJMDJONRDANAR-UHFFFAOYSA-N	1	0	293.838	4.323	50	30		CIEARO
C=CC[NH+](CC=C)CCOc1ccccc1C(C)(C)C	ZINC000020272333	527642007	/nfs/dbraw/zinc/64/20/07/527642007.db2.gz	JDNOFXWNFCFPNM-UHFFFAOYSA-N	1	0	273.420	4.037	50	30		CIEARO
C=CC[NH+](CC=C)CCOc1ccc([C@H](C)CC)cc1	ZINC000020272235	527642423	/nfs/dbraw/zinc/64/24/23/527642423.db2.gz	JRSJKYFLBAEVLD-MRXNPFEDSA-N	1	0	273.420	4.253	50	30		CIEARO
CCCCCC#CC[N@@H+]1CCCC[C@@H]1c1cccnc1	ZINC000013002831	528100201	/nfs/dbraw/zinc/10/02/01/528100201.db2.gz	LFGKVBBGXRWEQI-GOSISDBHSA-N	1	0	270.420	4.192	50	30		CIEARO
CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1	ZINC000035055402	566858160	/nfs/dbraw/zinc/85/81/60/566858160.db2.gz	MLCXPCQIBIIOJM-QGZVFWFLSA-N	1	0	284.790	4.453	50	30		CIEARO
C[NH+](C/C=C/C#CC(C)(C)C)C/C=C/C#CC(C)(C)C	ZINC000071784416	566866033	/nfs/dbraw/zinc/86/60/33/566866033.db2.gz	PUZZMHWRXUGORA-QHKWOANTSA-N	1	0	271.448	4.130	50	30		CIEARO
C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)c1ccc(C#N)cc1	ZINC000019963229	567125960	/nfs/dbraw/zinc/12/59/60/567125960.db2.gz	SMHNKTWBEJEXEW-VWPFQQQWSA-N	1	0	256.393	4.034	50	30		CIEARO
C[S+]1CCC(OC(c2ccccc2)c2ccccc2)CC1	ZINC000004146710	567855440	/nfs/dbraw/zinc/85/54/40/567855440.db2.gz	WFYAACXZPZYDJY-UHFFFAOYSA-N	1	0	299.459	4.203	50	30		CIEARO
C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCc2ccccc21	ZINC000015261609	567870802	/nfs/dbraw/zinc/87/08/02/567870802.db2.gz	SOYXYRYXPBPZPB-IBGZPJMESA-N	1	0	276.383	4.068	50	30		CIEARO
CCCCCCC[NH2+]Cc1ccc(OC)c(OCC)c1	ZINC000102566579	567915272	/nfs/dbraw/zinc/91/52/72/567915272.db2.gz	ZJEIFVXOZGVIAH-UHFFFAOYSA-N	1	0	279.424	4.154	50	30		CIEARO
C=CC[C@@](C)([NH2+]Cc1ccccc1)c1cccs1	ZINC000000209319	567924983	/nfs/dbraw/zinc/92/49/83/567924983.db2.gz	VHBCXXFJEUKQMG-MRXNPFEDSA-N	1	0	257.402	4.329	50	30		CIEARO
N#Cc1cccc(Nc2c3c([nH+]c4ccccc42)CCC3)c1	ZINC000000429784	567930520	/nfs/dbraw/zinc/93/05/20/567930520.db2.gz	BNVYHRPMSLAZGP-UHFFFAOYSA-N	1	0	285.350	4.339	50	30		CIEARO
CCCCCCCCCCCCOC(=O)C[N+](C)(C)C	ZINC000017527466	567935442	/nfs/dbraw/zinc/93/54/42/567935442.db2.gz	ZXJLDNVXBSCEPG-UHFFFAOYSA-N	1	0	286.480	4.157	50	30		CIEARO
C[C@H](C(=O)c1ccc(-c2ccccc2)cc1)[n+]1ccccc1	ZINC000001955941	570214890	/nfs/dbraw/zinc/21/48/90/570214890.db2.gz	XFUOWSIVPDOZPZ-MRXNPFEDSA-N	1	0	288.370	4.085	50	30		CIEARO
C=CCc1ccccc1OCCCC[NH+]1CCCCCC1	ZINC000002838985	570310959	/nfs/dbraw/zinc/31/09/59/570310959.db2.gz	SQBKVVNMUIPTDC-UHFFFAOYSA-N	1	0	287.447	4.450	50	30		CIEARO
C=C1C[C@@]2(CC)CCC[N@@H+]3CC[C@H]4c5ccccc5N1[C@@H]4[C@H]32	ZINC000936069034	613417649	/nfs/dbraw/zinc/41/76/49/613417649.db2.gz	NZYGLFJBQFPUIE-FRYIKTPZSA-N	1	0	294.442	4.141	50	30		CIEARO
CCCCCCCCCCCC[NH+]1CCC(C(N)=O)CC1	ZINC000101014495	185731978	/nfs/dbraw/zinc/73/19/78/185731978.db2.gz	MYBUVKLVXHTKEJ-UHFFFAOYSA-N	1	0	296.499	4.105	50	30		CIEARO
C=CCc1cccc(C)c1OCCC[NH+]1CCC(C)CC1	ZINC000003001193	169849082	/nfs/dbraw/zinc/84/90/82/169849082.db2.gz	FMLCDVJQQXPDGZ-UHFFFAOYSA-N	1	0	287.447	4.224	50	30		CIEARO
C=CC[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC	ZINC000004942795	170043310	/nfs/dbraw/zinc/04/33/10/170043310.db2.gz	MYUITMWLLRUNQL-UHFFFAOYSA-N	1	0	264.372	4.090	50	30		CIEARO
C=CCOc1ccc(C[NH2+]CCCCCC)cc1OCC	ZINC000006427142	170200669	/nfs/dbraw/zinc/20/06/69/170200669.db2.gz	JUIPSVZTDORBAY-UHFFFAOYSA-N	1	0	291.435	4.320	50	30		CIEARO
C[C@H]1C(=NO)[C@@H](C)[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000006556269	170212525	/nfs/dbraw/zinc/21/25/25/170212525.db2.gz	XIRQHDWKOLWYKM-SLDRDFCHSA-N	1	0	294.398	4.175	50	30		CIEARO
C=CCc1cc(C)cc(C)c1OCC[NH+](CC=C)CC=C	ZINC000020272833	171127623	/nfs/dbraw/zinc/12/76/23/171127623.db2.gz	ADTYBWQTXPDGNS-UHFFFAOYSA-N	1	0	285.431	4.085	50	30		CIEARO
CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC000035255165	172084868	/nfs/dbraw/zinc/08/48/68/172084868.db2.gz	WEUIHWIUBGYHOW-DLBZAZTESA-N	1	0	270.420	4.253	50	30		CIEARO
C=CC[NH2+]Cc1ccccc1OCc1cccc(Cl)c1	ZINC000040732614	174388733	/nfs/dbraw/zinc/38/87/33/174388733.db2.gz	BZLYFIZJWOMYSM-UHFFFAOYSA-N	1	0	287.790	4.195	50	30		CIEARO
CC(C)=[NH+]C[C@@H](C)C(O)(c1ccccc1)c1ccccc1	ZINC000031570782	260142454	/nfs/dbraw/zinc/14/24/54/260142454.db2.gz	OXJDSESRLSBTCU-MRXNPFEDSA-N	1	0	281.399	4.039	50	30		CIEARO
Cc1ccc(C/[NH+]=C/c2ccc(OC3CSC3)cc2)cc1	ZINC000000440087	533729155	/nfs/dbraw/zinc/72/91/55/533729155.db2.gz	QSESJVPTEMLMRG-YBFXNURJSA-N	1	0	297.423	4.108	50	30		CIEARO
CC(C)CCCC#CC[N@@H+]1CCCC[C@@H]1c1cccnc1	ZINC000055243452	519637277	/nfs/dbraw/zinc/63/72/77/519637277.db2.gz	FALZIPIZZJECMF-LJQANCHMSA-N	1	0	284.447	4.438	50	30		CIEARO
CCCCCC#CC[N@@H+]1CCCC[C@H]1c1cccnc1	ZINC000055226911	519921466	/nfs/dbraw/zinc/92/14/66/519921466.db2.gz	LFGKVBBGXRWEQI-SFHVURJKSA-N	1	0	270.420	4.192	50	30		CIEARO
CCCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000104155422	520037484	/nfs/dbraw/zinc/03/74/84/520037484.db2.gz	RIUDAIVAEYSVOM-UHFFFAOYSA-N	1	0	264.369	4.045	50	30		CIEARO
C=CC[C@H]1C=C(Cc2ccccc2)C[C@H](CC=C)[NH2+]1	ZINC000004141399	566842984	/nfs/dbraw/zinc/84/29/84/566842984.db2.gz	PFOAIMHDKWUDIQ-ROUUACIJSA-N	1	0	253.389	4.038	50	30		CIEARO
C=CC[NH2+]Cc1cn(Cc2cccc(C)c2)c2ccccc12	ZINC000057353155	566872260	/nfs/dbraw/zinc/87/22/60/566872260.db2.gz	WTNCIGDLYCZQKM-UHFFFAOYSA-N	1	0	290.410	4.274	50	30		CIEARO
N#C[C@@H]1CCC[C@H]([NH2+][C@H](c2ccco2)c2ccccc2)C1	ZINC000248949568	566961151	/nfs/dbraw/zinc/96/11/51/566961151.db2.gz	ZRHZFCMQJHFHHH-HFTRVMKXSA-N	1	0	280.371	4.041	50	30		CIEARO
CCCCC[C@@H](C[N+](C)(C)C)C(=O)/C=C/c1ccccc1	ZINC000001898800	566971759	/nfs/dbraw/zinc/97/17/59/566971759.db2.gz	DELWKBXATAWMQG-JJJPLKNQSA-N	1	0	288.455	4.172	50	30		CIEARO
C=CCC[C@H](O)C[N@@H+](CCC(C)C)Cc1ccccc1C	ZINC000036100063	566993179	/nfs/dbraw/zinc/99/31/79/566993179.db2.gz	GRFOLWQJUGTJCX-IBGZPJMESA-N	1	0	289.463	4.170	50	30		CIEARO
CCC[NH+](CC#Cc1cccc2ccccc12)CCC	ZINC000019926451	567126576	/nfs/dbraw/zinc/12/65/76/567126576.db2.gz	UFNCVXVJPHGDDD-UHFFFAOYSA-N	1	0	265.400	4.313	50	30		CIEARO
O=[N+]([O-])c1ccc(/C=[NH+]/CC23CC4CC(CC(C4)C2)C3)cc1	ZINC000004141452	567189413	/nfs/dbraw/zinc/18/94/13/567189413.db2.gz	KSOFIRQEMYPJHA-YBFXNURJSA-N	1	0	298.386	4.230	50	30		CIEARO
c1ccc(C[NH+]=C2CCCc3ccccc3N2)cc1	ZINC000000196625	567822225	/nfs/dbraw/zinc/82/22/25/567822225.db2.gz	WHHWFCQVCVMYON-UHFFFAOYSA-N	1	0	250.345	4.034	50	30		CIEARO
CC[C@H](C)[C@@](C#N)(CC[NH+](CC)CC)c1ccccc1	ZINC000001649115	567839929	/nfs/dbraw/zinc/83/99/29/567839929.db2.gz	WQQPLWOAYDTFGS-WMZOPIPTSA-N	1	0	272.436	4.226	50	30		CIEARO
Clc1ccc(/C=[NH+]/[C@H]2C[C@@H]2c2ccccc2)cc1	ZINC000016034225	567872011	/nfs/dbraw/zinc/87/20/11/567872011.db2.gz	SEJGJJWQNRGYNI-MAIUNSNDSA-N	1	0	255.748	4.315	50	30		CIEARO
C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc2c(c1)CCCC2	ZINC000011093031	567886466	/nfs/dbraw/zinc/88/64/66/567886466.db2.gz	LHJKLWBOZREGQK-OAHLLOKOSA-N	1	0	290.410	4.288	50	30		CIEARO
C[C@@H](/[NH+]=C/c1ccc(O)cc1)C12CC3CC(CC(C3)C1)C2	ZINC000096429978	567897495	/nfs/dbraw/zinc/89/74/95/567897495.db2.gz	JAXTYPSLKSGZAY-IASSVUMPSA-N	1	0	283.415	4.416	50	30		CIEARO
C=CC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1	ZINC000010475006	567939635	/nfs/dbraw/zinc/93/96/35/567939635.db2.gz	ZFPONDHUUXHOET-UHFFFAOYSA-N	1	0	287.790	4.195	50	30		CIEARO
N#Cc1ccccc1C[NH+]1CCC(Cc2ccccc2)CC1	ZINC000014915025	570301033	/nfs/dbraw/zinc/30/10/33/570301033.db2.gz	IASJGSUHIQPKSH-UHFFFAOYSA-N	1	0	290.410	4.013	50	30		CIEARO
C=CC[C@](C)([NH2+]Cc1ccccc1)c1ccccc1	ZINC000001187548	570325232	/nfs/dbraw/zinc/32/52/32/570325232.db2.gz	RYFWJRLOQFKDHD-SFHVURJKSA-N	1	0	251.373	4.268	50	30		CIEARO
C=C(C)C[N@@H+](CC)Cc1c[nH]nc1-c1ccc(C)c(C)c1	ZINC000012446013	570339722	/nfs/dbraw/zinc/33/97/22/570339722.db2.gz	NENUPINWKKGXJW-UHFFFAOYSA-N	1	0	283.419	4.092	50	30		CIEARO
CCCOc1ccc(C[N+](=O)c2ccc(C)cc2)cc1	ZINC000004281041	570380167	/nfs/dbraw/zinc/38/01/67/570380167.db2.gz	BDTOSCZVXKKLLV-UHFFFAOYSA-N	1	0	269.344	4.045	50	30		CIEARO
C[C@@H](c1ccc(-c2ccc(C#N)cn2)cc1)[NH+]1CCCCC1	ZINC000426628145	230424922	/nfs/dbraw/zinc/42/49/22/230424922.db2.gz	FLUXHMVILKZXKZ-HNNXBMFYSA-N	1	0	291.398	4.167	50	30		CIEARO
CCCCCCCC[NH2+][C@H](C)C[S@@](=O)c1ccccc1	ZINC000102265259	185773555	/nfs/dbraw/zinc/77/35/55/185773555.db2.gz	USSPSSOSDYIKMG-UZLBHIALSA-N	1	0	295.492	4.133	50	30		CIEARO
C=CC[C@](C)([NH2+]Cc1ccccc1)c1cccs1	ZINC000000209321	169575451	/nfs/dbraw/zinc/57/54/51/169575451.db2.gz	VHBCXXFJEUKQMG-INIZCTEOSA-N	1	0	257.402	4.329	50	30		CIEARO
C=C(C)C[C@H]([NH2+]Cc1ccco1)c1ccc(OC)cc1	ZINC000000209343	169575535	/nfs/dbraw/zinc/57/55/35/169575535.db2.gz	NROBDEBYLPIACA-KRWDZBQOSA-N	1	0	271.360	4.085	50	30		CIEARO
C(#CC[NH+]1CCCC1)CC(c1ccccc1)c1ccccc1	ZINC000001760544	169755733	/nfs/dbraw/zinc/75/57/33/169755733.db2.gz	LIJXCAFRPKFKCP-UHFFFAOYSA-N	1	0	289.422	4.308	50	30		CIEARO
CCCCCCCCn1c2c(c(=[NH2+])c3c1CCC3)CCC2	ZINC000001816496	169758829	/nfs/dbraw/zinc/75/88/29/169758829.db2.gz	NKYJDOLHVMIKGE-UHFFFAOYSA-N	1	0	286.463	4.305	50	30		CIEARO
C=CC[NH2+]CCCCOc1cc(C(C)C)ccc1C	ZINC000003003704	169849361	/nfs/dbraw/zinc/84/93/61/169849361.db2.gz	MTZNSWCIXGISEU-UHFFFAOYSA-N	1	0	261.409	4.053	50	30		CIEARO
C[C@H]1C(=NO)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000004714101	170004111	/nfs/dbraw/zinc/00/41/11/170004111.db2.gz	XIRQHDWKOLWYKM-FTUNRGFVSA-N	1	0	294.398	4.175	50	30		CIEARO
C=CCOc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1	ZINC000006312992	170190072	/nfs/dbraw/zinc/19/00/72/170190072.db2.gz	QKZHMHSICJKETR-UHFFFAOYSA-N	1	0	297.442	4.310	50	30		CIEARO
CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C#N)c1	ZINC000035255162	172084741	/nfs/dbraw/zinc/08/47/41/172084741.db2.gz	WEUIHWIUBGYHOW-SJORKVTESA-N	1	0	270.420	4.253	50	30		CIEARO
C=CC[NH2+]Cc1cc(Cl)cc(Cl)c1OC(C)C	ZINC000040729824	174388378	/nfs/dbraw/zinc/38/83/78/174388378.db2.gz	WTTIUPXFSMLRMM-UHFFFAOYSA-N	1	0	274.191	4.056	50	30		CIEARO
C=CCC(C)(C)C[N@H+]1CCC[C@H]1c1c(C)noc1C	ZINC000067820578	518685985	/nfs/dbraw/zinc/68/59/85/518685985.db2.gz	ARSJQVZLABUQGI-AWEZNQCLSA-N	1	0	262.397	4.031	50	30		CIEARO
CCCCCCCCCOc1cccc([C@H](O)C[NH2+]C)c1	ZINC000102591669	520029880	/nfs/dbraw/zinc/02/98/80/520029880.db2.gz	OHSNBXNZPWXWQO-GOSISDBHSA-N	1	0	293.451	4.069	50	30		CIEARO
C=CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1OC	ZINC000004670795	526887397	/nfs/dbraw/zinc/88/73/97/526887397.db2.gz	STHNUNDEWILSQW-HNNXBMFYSA-N	1	0	297.398	4.111	50	30		CIEARO
O=C(C[n+]1cccc2c3ccccc3ccc21)c1ccccc1	ZINC000002565327	567056524	/nfs/dbraw/zinc/05/65/24/567056524.db2.gz	UHNGVRQCFGMSJY-UHFFFAOYSA-N	1	0	298.365	4.163	50	30		CIEARO
Clc1ccccc1NC1=[NH+]CCCC12CCCC2	ZINC000096027783	567139043	/nfs/dbraw/zinc/13/90/43/567139043.db2.gz	PBFKHDHMCKEOSQ-UHFFFAOYSA-N	1	0	262.784	4.314	50	30		CIEARO
CC(C)(Cc1ccc(F)cc1)/[NH+]=C/c1ccccc1	ZINC000000156476	567820676	/nfs/dbraw/zinc/82/06/76/567820676.db2.gz	HPAANHNPBCGDLR-CPNJWEJPSA-N	1	0	255.336	4.266	50	30		CIEARO
O=C(C[n+]1cccc2ccccc21)c1cccc2ccccc21	ZINC000001595259	567839046	/nfs/dbraw/zinc/83/90/46/567839046.db2.gz	YKPNAJCQPIRZJU-UHFFFAOYSA-N	1	0	298.365	4.163	50	30		CIEARO
CC[C@@H](C)[C@](C#N)(CC[NH+](CC)CC)c1ccccc1	ZINC000001649112	567840077	/nfs/dbraw/zinc/84/00/77/567840077.db2.gz	WQQPLWOAYDTFGS-SJLPKXTDSA-N	1	0	272.436	4.226	50	30		CIEARO
CCOc1ccc(N/C=[NH+]/c2ccc(OCC)cc2)cc1	ZINC000013126271	567865053	/nfs/dbraw/zinc/86/50/53/567865053.db2.gz	ALWBDOJIWNSQAQ-UHFFFAOYSA-N	1	0	284.359	4.256	50	30		CIEARO
N#Cc1cccc(C[NH2+]Cc2ccc(Cl)cc2Cl)c1	ZINC000011037635	567883963	/nfs/dbraw/zinc/88/39/63/567883963.db2.gz	GWJIFCCNTMXGRP-UHFFFAOYSA-N	1	0	291.181	4.155	50	30		CIEARO
C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1Cl	ZINC000011038124	567884061	/nfs/dbraw/zinc/88/40/61/567884061.db2.gz	HRSPGNSLLXGHPC-LBPRGKRZSA-N	1	0	270.763	4.062	50	30		CIEARO
CCCCCCCC[C@H](C(=O)OCC)[NH+]1CCCCC1	ZINC000097973048	567905581	/nfs/dbraw/zinc/90/55/81/567905581.db2.gz	ASWQFWVKZZKGHH-MRXNPFEDSA-N	1	0	283.456	4.155	50	30		CIEARO
CCCCCCCCCCCCCC[NH2+]CCN	ZINC000100967545	567914286	/nfs/dbraw/zinc/91/42/86/567914286.db2.gz	QIBKKTQVKFEWCH-UHFFFAOYSA-N	1	0	256.478	4.236	50	30		CIEARO
CCCCCCCCCOc1cccc([C@@H](O)C[NH2+]C)c1	ZINC000102591671	567941764	/nfs/dbraw/zinc/94/17/64/567941764.db2.gz	OHSNBXNZPWXWQO-SFHVURJKSA-N	1	0	293.451	4.069	50	30		CIEARO
CC[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000103557644	567943036	/nfs/dbraw/zinc/94/30/36/567943036.db2.gz	KELKCHCDSYUMCO-YGFWYALHSA-N	1	0	294.398	4.319	50	30		CIEARO
CCCCCCCCCCCC[N@H+](C)CCN(C)C	ZINC000059660509	570300673	/nfs/dbraw/zinc/30/06/73/570300673.db2.gz	LLJOASAHEBQANS-UHFFFAOYSA-N	1	0	270.505	4.401	50	30		CIEARO
C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1	ZINC000012759307	570336706	/nfs/dbraw/zinc/33/67/06/570336706.db2.gz	DJLYNGHLEJQLRO-GFCCVEGCSA-N	1	0	270.763	4.062	50	30		CIEARO
N#CCCCC[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1	ZINC000170621170	570363601	/nfs/dbraw/zinc/36/36/01/570363601.db2.gz	NYRWYXVSCMAJOL-UHFFFAOYSA-N	1	0	290.716	4.142	50	30		CIEARO
O=[N+](Cc1c(Cl)cccc1Cl)c1ccccc1	ZINC000148376771	570381689	/nfs/dbraw/zinc/38/16/89/570381689.db2.gz	MCQSAIZUZFDNBA-SXGWCWSVSA-N	1	0	266.127	4.254	50	30		CIEARO
CCCCCCC[NH2+]Cc1cccc(OCCOCC)c1	ZINC000100027415	185702434	/nfs/dbraw/zinc/70/24/34/185702434.db2.gz	KIONXNYQZRLWCO-UHFFFAOYSA-N	1	0	293.451	4.162	50	30		CIEARO
C=CC[N@H+](Cc1ccccc1)Cc1cnc2ccccc2c1	ZINC000253397369	131143240	/nfs/dbraw/zinc/14/32/40/131143240.db2.gz	YJNIZEWQFLEMDI-UHFFFAOYSA-N	1	0	288.394	4.423	50	30		CIEARO
CC[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000005247800	170078998	/nfs/dbraw/zinc/07/89/98/170078998.db2.gz	KELKCHCDSYUMCO-UABSMTKQSA-N	1	0	294.398	4.319	50	30		CIEARO
C=CC[NH2+]CCCOc1c(Cl)cc(Cl)cc1Cl	ZINC000006158473	170179870	/nfs/dbraw/zinc/17/98/70/170179870.db2.gz	BPBBZEYPDODGHR-UHFFFAOYSA-N	1	0	294.609	4.191	50	30		CIEARO
C=CC[NH+](CC=C)Cc1c(C)[nH]c2cc(C)cc(C)c2c1=O	ZINC000008717408	170349447	/nfs/dbraw/zinc/34/94/47/170349447.db2.gz	PFLWODMFMHWUCA-UHFFFAOYSA-N	1	0	296.414	4.040	50	30		CIEARO
C=CC[C@@H]1Cc2c(Br)cccc2[C@@H](CC=C)[NH2+]1	ZINC000020161165	171040681	/nfs/dbraw/zinc/04/06/81/171040681.db2.gz	VKQGKOSWTAPJPJ-IAQYHMDHSA-N	1	0	292.220	4.157	50	30		CIEARO
CCCCCCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000022789245	171398721	/nfs/dbraw/zinc/39/87/21/171398721.db2.gz	MCFKPFAQHDAERA-UHFFFAOYSA-N	1	0	288.479	4.165	50	30		CIEARO
CC(C)[NH+](CC[C@@H](C#N)c1ccccc1Cl)C(C)C	ZINC000039254052	174167448	/nfs/dbraw/zinc/16/74/48/174167448.db2.gz	ORSSVOYOHRFPIV-AWEZNQCLSA-N	1	0	278.827	4.456	50	30		CIEARO
C=CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2C)c(C)n1	ZINC000055309365	519277199	/nfs/dbraw/zinc/27/71/99/519277199.db2.gz	CDQKXLKWIHBBCY-LJQANCHMSA-N	1	0	295.430	4.023	50	30		CIEARO
CC(C)=CCC/C(C)=C\CC(C)(C)/C=[NH+]/n1cnnc1	ZINC000005377785	519403005	/nfs/dbraw/zinc/40/30/05/519403005.db2.gz	VTKWCAWXRZUZAS-DULRMMMRSA-N	1	0	274.412	4.221	50	30		CIEARO
CC(C)CCC[C@H](C)CCOC(=O)C[N+]1(C)CCCCC1	ZINC000004184381	527705778	/nfs/dbraw/zinc/70/57/78/527705778.db2.gz	FESWBDCXEBOLRE-KRWDZBQOSA-N	1	0	298.491	4.013	50	30		CIEARO
CCCCCCC[NH2+]Cc1cc(Cl)c(OC)c(OC)c1	ZINC000102566566	567915258	/nfs/dbraw/zinc/91/52/58/567915258.db2.gz	KHJAJUSNYOZFOV-UHFFFAOYSA-N	1	0	299.842	4.417	50	30		CIEARO
CCN(CC)/C(Nc1ccccc1)=[NH+]\c1ccccc1	ZINC000012569742	566859746	/nfs/dbraw/zinc/85/97/46/566859746.db2.gz	QLZQQUJBXZSKDI-UHFFFAOYSA-N	1	0	267.376	4.128	50	30		CIEARO
N#C[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccco2)c2ccccc2)C1	ZINC000248949571	566960292	/nfs/dbraw/zinc/96/02/92/566960292.db2.gz	ZRHZFCMQJHFHHH-KYJSFNMBSA-N	1	0	280.371	4.041	50	30		CIEARO
CSc1ccc(C[N+](=O)c2ccc(Cl)cc2)cc1	ZINC000001798828	566963909	/nfs/dbraw/zinc/96/39/09/566963909.db2.gz	FXEHNXNTJGLXPJ-MHWRWJLKSA-N	1	0	277.776	4.323	50	30		CIEARO
N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)cc1	ZINC000058419361	567177478	/nfs/dbraw/zinc/17/74/78/567177478.db2.gz	AWRXLDULYRRSGT-HXUWFJFHSA-N	1	0	290.410	4.155	50	30		CIEARO
N#Cc1ccc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)cc1	ZINC000058419359	567177625	/nfs/dbraw/zinc/17/76/25/567177625.db2.gz	AWRXLDULYRRSGT-FQEVSTJZSA-N	1	0	290.410	4.155	50	30		CIEARO
CC[C@H](C)[C@](C#N)(CC[NH+](CC)CC)c1ccccc1	ZINC000001649113	567840117	/nfs/dbraw/zinc/84/01/17/567840117.db2.gz	WQQPLWOAYDTFGS-FUHWJXTLSA-N	1	0	272.436	4.226	50	30		CIEARO
N#C[C@@H](c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000003116556	567851660	/nfs/dbraw/zinc/85/16/60/567851660.db2.gz	MHFBISFDLRWTLQ-FQEVSTJZSA-N	1	0	290.410	4.206	50	30		CIEARO
Clc1ccc(/C=[NH+]/[C@@H]2C[C@H]2c2ccccc2)cc1	ZINC000016034226	567871889	/nfs/dbraw/zinc/87/18/89/567871889.db2.gz	SEJGJJWQNRGYNI-CHOUFLSKSA-N	1	0	255.748	4.315	50	30		CIEARO
C=CCC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000036096848	567894069	/nfs/dbraw/zinc/89/40/69/567894069.db2.gz	PKPGWWZXIMIPLU-FQEVSTJZSA-N	1	0	295.426	4.016	50	30		CIEARO
CCCCCCCC[C@@H](C(=O)OCC)[NH+]1CCCCC1	ZINC000097973047	567905569	/nfs/dbraw/zinc/90/55/69/567905569.db2.gz	ASWQFWVKZZKGHH-INIZCTEOSA-N	1	0	283.456	4.155	50	30		CIEARO
N#Cc1c2c(sc1/[NH+]=C/N1CCCCC1)CCCCC2	ZINC000000180772	567924400	/nfs/dbraw/zinc/92/44/00/567924400.db2.gz	NGFTWYFGERSWNQ-LDADJPATSA-N	1	0	287.432	4.034	50	30		CIEARO
C[NH+]=C(Nc1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000050077915	567925122	/nfs/dbraw/zinc/92/51/22/567925122.db2.gz	CZXXVANBDOMCMR-UHFFFAOYSA-N	1	0	279.170	4.291	50	30		CIEARO
CC[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000101280999	567941009	/nfs/dbraw/zinc/94/10/09/567941009.db2.gz	KELKCHCDSYUMCO-HDYAUDIQSA-N	1	0	294.398	4.319	50	30		CIEARO
C[NH+]=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000025539672	567948864	/nfs/dbraw/zinc/94/88/64/567948864.db2.gz	WGQNOCXTTRTUIX-UHFFFAOYSA-N	1	0	279.170	4.291	50	30		CIEARO
C=CC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1	ZINC000012343801	570339710	/nfs/dbraw/zinc/33/97/10/570339710.db2.gz	QUZJNXCDXRUHQP-UHFFFAOYSA-N	1	0	281.277	4.241	50	30		CIEARO
C[C@@H]1/C(=N\O)C[C@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1	ZINC000104612024	186010336	/nfs/dbraw/zinc/01/03/36/186010336.db2.gz	WRZFUOOSXMQGBT-RHCGOPQTSA-N	1	0	294.398	4.271	50	30		CIEARO
C(#Cc1ccccc1)C[N+]1(Cc2ccccc2)CCCCC1	ZINC000001252529	169693026	/nfs/dbraw/zinc/69/30/26/169693026.db2.gz	HYMGVKIFMNVUJQ-UHFFFAOYSA-N	1	0	290.430	4.239	50	30		CIEARO
COc1ccc(-c2cccc(-c3ccccc3)[s+]2)cc1	ZINC000004829265	170024922	/nfs/dbraw/zinc/02/49/22/170024922.db2.gz	HLMQRTIKZNPMQO-UHFFFAOYSA-N	1	0	279.384	4.445	50	30		CIEARO
CC[C@H](C)[C@@](C#N)(CC[NH+]1CCCCC1)c1ccccc1	ZINC000005925423	170156027	/nfs/dbraw/zinc/15/60/27/170156027.db2.gz	JHWFWJSHRYEDOF-HKUYNNGSSA-N	1	0	284.447	4.370	50	30		CIEARO
C=CC[NH+](CC=C)Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O	ZINC000008714063	170348655	/nfs/dbraw/zinc/34/86/55/170348655.db2.gz	PDTAZOCERJJOKM-UHFFFAOYSA-N	1	0	296.414	4.040	50	30		CIEARO
C=C(C)C[C@H]([NH2+]CCc1ccccc1)c1ccco1	ZINC000020271444	171126088	/nfs/dbraw/zinc/12/60/88/171126088.db2.gz	FJHYVBYMGHMBRJ-INIZCTEOSA-N	1	0	255.361	4.119	50	30		CIEARO
C=CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCC	ZINC000020930187	171281046	/nfs/dbraw/zinc/28/10/46/171281046.db2.gz	MSBKJKQAQJDMCR-UHFFFAOYSA-N	1	0	274.191	4.058	50	30		CIEARO
C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc2ccccc2o1	ZINC000022817415	171399805	/nfs/dbraw/zinc/39/98/05/171399805.db2.gz	VUYUOHYLZJSHTN-ZDUSSCGKSA-N	1	0	276.339	4.155	50	30		CIEARO
CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C#N)c1	ZINC000035255163	172084941	/nfs/dbraw/zinc/08/49/41/172084941.db2.gz	WEUIHWIUBGYHOW-IRXDYDNUSA-N	1	0	270.420	4.253	50	30		CIEARO
N#Cc1ccccc1C[N@@H+]1CCCCC[C@H]1c1ccco1	ZINC000077355778	177256291	/nfs/dbraw/zinc/25/62/91/177256291.db2.gz	QURDZKWEWPLHEY-KRWDZBQOSA-N	1	0	280.371	4.269	50	30		CIEARO
C[C@H](C(=O)c1ccc(Cl)cc1)[n+]1cccc2ccccc21	ZINC000003132813	260010993	/nfs/dbraw/zinc/01/09/93/260010993.db2.gz	WOENDLQUMWJMIW-CYBMUJFWSA-N	1	0	296.777	4.225	50	30		CIEARO
CCCCCCCCC[C@@H](C)N(C)C(=O)C[NH+]1CCCC1	ZINC000101014492	520029561	/nfs/dbraw/zinc/02/95/61/520029561.db2.gz	LLDZJBCARZMJQN-QGZVFWFLSA-N	1	0	296.499	4.070	50	30		CIEARO
C=CC[C@@H]1CC(Cc2ccccc2)=C[C@H](CC=C)[NH2+]1	ZINC000004141397	566888628	/nfs/dbraw/zinc/88/86/28/566888628.db2.gz	PFOAIMHDKWUDIQ-ZWKOTPCHSA-N	1	0	253.389	4.038	50	30		CIEARO
C=CCCCCCCCCC(=O)OCC[N+](C)(C)CCC	ZINC000004566950	566889148	/nfs/dbraw/zinc/88/91/48/566889148.db2.gz	NIYUTNIJVUFXDR-UHFFFAOYSA-N	1	0	298.491	4.323	50	30		CIEARO
C=CC[C@@H]1C=C(Cc2ccccc2)C[C@H](CC=C)[NH2+]1	ZINC000004141402	566889369	/nfs/dbraw/zinc/88/93/69/566889369.db2.gz	PFOAIMHDKWUDIQ-MSOLQXFVSA-N	1	0	253.389	4.038	50	30		CIEARO
CCCCCCCCOc1ccccc1C1=[NH+]CCCN1	ZINC000100684637	566917460	/nfs/dbraw/zinc/91/74/60/566917460.db2.gz	CBXKQQGNDASEGA-UHFFFAOYSA-N	1	0	288.435	4.166	50	30		CIEARO
CCCCCCCCCCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000100813605	566917505	/nfs/dbraw/zinc/91/75/05/566917505.db2.gz	OOSWYPPXWOIAFP-QGZVFWFLSA-N	1	0	296.499	4.105	50	30		CIEARO
CCCCCCCCCC[C@H](C(=O)OCC)[N+](C)(C)C	ZINC000100690096	566917512	/nfs/dbraw/zinc/91/75/12/566917512.db2.gz	FCRWJSVSCZSSKM-MRXNPFEDSA-N	1	0	286.480	4.155	50	30		CIEARO
N#C[C@H](c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000004128093	567855412	/nfs/dbraw/zinc/85/54/12/567855412.db2.gz	MHFBISFDLRWTLQ-HXUWFJFHSA-N	1	0	290.410	4.206	50	30		CIEARO
CN(C)/C=[NH+]/c1cc(Cl)c(-n2cccc2)cc1Cl	ZINC000004300537	567856745	/nfs/dbraw/zinc/85/67/45/567856745.db2.gz	MNPBHWOZBXGJSI-CXUHLZMHSA-N	1	0	282.174	4.006	50	30		CIEARO
C=CC[NH+](CC=C)CCCCOc1ccc(C)cc1C	ZINC000003461670	567862520	/nfs/dbraw/zinc/86/25/20/567862520.db2.gz	YDAPMOFVFCIWCB-UHFFFAOYSA-N	1	0	273.420	4.136	50	30		CIEARO
CCCCCCC[NH2+]Cc1ccc(SC)cc1	ZINC000102565131	567915274	/nfs/dbraw/zinc/91/52/74/567915274.db2.gz	AQNYCLMFDXZUNV-UHFFFAOYSA-N	1	0	251.439	4.469	50	30		CIEARO
C=CCc1cccc(C)c1OCCCC[NH2+]CCCC	ZINC000003003650	567952448	/nfs/dbraw/zinc/95/24/48/567952448.db2.gz	RMRHZJBSBVKMEB-UHFFFAOYSA-N	1	0	275.436	4.272	50	30		CIEARO
N#Cc1ccc(C[NH2+]C(c2ccccc2)c2ccccc2)cc1	ZINC000014915592	570300955	/nfs/dbraw/zinc/30/09/55/570300955.db2.gz	BOMDGVCEHXHSTD-UHFFFAOYSA-N	1	0	298.389	4.437	50	30		CIEARO
C#CCCCC[NH2+][C@@H](C)c1ccc(SC)c(F)c1	ZINC000090398476	570352509	/nfs/dbraw/zinc/35/25/09/570352509.db2.gz	AVNWHYCCGCRIBG-LBPRGKRZSA-N	1	0	265.397	4.002	50	30		CIEARO
Clc1ccc(/C=[NH+]/[C@@H]2C[C@@H]2c2ccccc2)cc1	ZINC000004772091	170014860	/nfs/dbraw/zinc/01/48/60/170014860.db2.gz	SEJGJJWQNRGYNI-JDPRVQSZSA-N	1	0	255.748	4.315	50	30		CIEARO
[NH2+]=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000020413122	171182923	/nfs/dbraw/zinc/18/29/23/171182923.db2.gz	JBRSHHQNGSORFD-UHFFFAOYSA-N	1	0	265.143	4.030	50	30		CIEARO
C=CC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1	ZINC000006855902	518952229	/nfs/dbraw/zinc/95/22/29/518952229.db2.gz	WDIBYKLIVPWMDD-UHFFFAOYSA-N	1	0	265.715	4.015	50	30		CIEARO
C=CC[NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12	ZINC000057353109	518955179	/nfs/dbraw/zinc/95/51/79/518955179.db2.gz	CVAQIQRBJAVUNT-UHFFFAOYSA-N	1	0	294.373	4.104	50	30		CIEARO
C=CCc1cccc(C)c1OCCCC[NH+]1CCCCC1	ZINC000003001993	519141607	/nfs/dbraw/zinc/14/16/07/519141607.db2.gz	OTUFSSOGNDMXHL-UHFFFAOYSA-N	1	0	287.447	4.368	50	30		CIEARO
C[NH+]1[C@@H](c2ccccc2)CC(=NO)C[C@@H]1c1ccccc1	ZINC000055450202	524031065	/nfs/dbraw/zinc/03/10/65/524031065.db2.gz	PBJCHMDKVHLZPM-QZTJIDSGSA-N	1	0	280.371	4.025	50	30	in-vitro	CIEARO
C[N@H+](Cc1ccccc1C#N)[C@H]1CCCc2ccccc21	ZINC000016342872	566943794	/nfs/dbraw/zinc/94/37/94/566943794.db2.gz	YMHNBXVLLFRRFO-IBGZPJMESA-N	1	0	276.383	4.068	50	30		CIEARO
CC(C)C(C#CC[NH+](C)C)(c1ccccc1)c1ccccc1	ZINC000001885635	566971063	/nfs/dbraw/zinc/97/10/63/566971063.db2.gz	FNLDBOJPBWWOCD-UHFFFAOYSA-N	1	0	291.438	4.194	50	30		CIEARO
C[C@@H](CCC#N)[N@H+](C)Cc1ccccc1-c1ccccc1	ZINC000170607404	567013492	/nfs/dbraw/zinc/01/34/92/567013492.db2.gz	MQXYOUSEJKKLNG-INIZCTEOSA-N	1	0	278.399	4.478	50	30		CIEARO
CSc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1	ZINC000330031604	567126404	/nfs/dbraw/zinc/12/64/04/567126404.db2.gz	AVWGJUBILFJHPF-CYBMUJFWSA-N	1	0	282.412	4.131	50	30		CIEARO
CC1=CCCC(C)(C)[C@@H]1/C=C/C(=O)CC[NH+]1CCCCC1	ZINC000096027352	567138407	/nfs/dbraw/zinc/13/84/07/567138407.db2.gz	IZKOIFZVGOXIOX-QZEKMECESA-N	1	0	289.463	4.370	50	30		CIEARO
O=[N+](Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1	ZINC000012957587	567864209	/nfs/dbraw/zinc/86/42/09/567864209.db2.gz	BXPLLAZOXRETHR-MFOYZWKCSA-N	1	0	280.154	4.123	50	30		CIEARO
C[C@H]1C(=NO)[C@@H](C)[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000013154932	567865080	/nfs/dbraw/zinc/86/50/80/567865080.db2.gz	XIRQHDWKOLWYKM-GTYSZEQSSA-N	1	0	294.398	4.175	50	30		CIEARO
C[N@@H+]1[C@@H](c2ccccc2)CC(=NO)C[C@H]1c1ccccc1	ZINC000000440718	567887240	/nfs/dbraw/zinc/88/72/40/567887240.db2.gz	PBJCHMDKVHLZPM-HDICACEKSA-N	1	0	280.371	4.025	50	30	in-vitro	CIEARO
CCCCCCCCCCCC(=O)OCCC[NH+](C)C	ZINC000100815942	567913913	/nfs/dbraw/zinc/91/39/13/567913913.db2.gz	XEPOUYIIPHGFKJ-UHFFFAOYSA-N	1	0	285.472	4.402	50	30		CIEARO
CC1=CCCC(C)(C)[C@H]1/C=C/C(=O)CC[NH+]1CCCCC1	ZINC000102193627	567915361	/nfs/dbraw/zinc/91/53/61/567915361.db2.gz	IZKOIFZVGOXIOX-BBVFFXRHSA-N	1	0	289.463	4.370	50	30		CIEARO
CCCCCCCCCCCC[NH+]1CCOCC1	ZINC000044265662	570235379	/nfs/dbraw/zinc/23/53/79/570235379.db2.gz	ZRIILUSQBDFVNY-UHFFFAOYSA-N	1	0	255.446	4.240	50	30		CIEARO
CC[C@@H]1/C(=N/O)C[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000013539946	570237559	/nfs/dbraw/zinc/23/75/59/570237559.db2.gz	KELKCHCDSYUMCO-RCXXVERISA-N	1	0	294.398	4.319	50	30		CIEARO
C=C(C)[C@@H]1CC=C(C[N@@H+](C)Cc2ccncc2C)CC1	ZINC000215681506	570333843	/nfs/dbraw/zinc/33/38/43/570333843.db2.gz	ZWPTYYMKZCDRTN-QGZVFWFLSA-N	1	0	270.420	4.124	50	30		CIEARO
C[C@H](c1ccc(-c2ccc(C#N)cn2)cc1)[NH+]1CCCCC1	ZINC000426628148	570394495	/nfs/dbraw/zinc/39/44/95/570394495.db2.gz	FLUXHMVILKZXKZ-OAHLLOKOSA-N	1	0	291.398	4.167	50	30		CIEARO
C=C1C[C@@]2(CC)CCC[N@@H+]3CC[C@@H]4c5ccccc5N1[C@H]4[C@H]32	ZINC000936069036	613417856	/nfs/dbraw/zinc/41/78/56/613417856.db2.gz	NZYGLFJBQFPUIE-RSPOEFSDSA-N	1	0	294.442	4.141	50	30		CIEARO
C=CCc1cc(Cl)ccc1OCCC[NH2+]CCCC	ZINC000003003077	169848805	/nfs/dbraw/zinc/84/88/05/169848805.db2.gz	NTOHCTDTDMWNAK-UHFFFAOYSA-N	1	0	281.827	4.227	50	30		CIEARO
C[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1	ZINC000004713343	170003655	/nfs/dbraw/zinc/00/36/55/170003655.db2.gz	WRZFUOOSXMQGBT-ODSVMKNPSA-N	1	0	294.398	4.271	50	30		CIEARO
C=CCc1cccc(C)c1OCC[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000004905940	170039232	/nfs/dbraw/zinc/03/92/32/170039232.db2.gz	KEVGSSGBDNQOAR-HOTGVXAUSA-N	1	0	287.447	4.080	50	30		CIEARO
CC[C@H](C)[C@](C#N)(CC[NH+]1CCCCC1)c1ccccc1	ZINC000005925357	170155751	/nfs/dbraw/zinc/15/57/51/170155751.db2.gz	JHWFWJSHRYEDOF-PKOBYXMFSA-N	1	0	284.447	4.370	50	30		CIEARO
C=CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000006855877	170249455	/nfs/dbraw/zinc/24/94/55/170249455.db2.gz	LDZPSPIUZWOUMT-UHFFFAOYSA-N	1	0	287.790	4.195	50	30		CIEARO
N#Cc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1	ZINC000008307088	170330016	/nfs/dbraw/zinc/33/00/16/170330016.db2.gz	MIZLCAPXWFKBPI-UHFFFAOYSA-N	1	0	290.410	4.013	50	30		CIEARO
COc1ccc([C@H]([NH2+]Cc2cccc(C#N)c2)C(C)C)cc1	ZINC000022817914	171399780	/nfs/dbraw/zinc/39/97/80/171399780.db2.gz	XZVPYMMTQZRLJR-LJQANCHMSA-N	1	0	294.398	4.054	50	30		CIEARO
C=CC[NH+](CC=C)CCCCOc1ccc(Cl)cc1	ZINC000003002092	518768253	/nfs/dbraw/zinc/76/82/53/518768253.db2.gz	QXJNAXNCXAYLMK-UHFFFAOYSA-N	1	0	279.811	4.173	50	30		CIEARO
C=CC[NH2+]CCOc1ccc(C(C)(C)c2ccccc2)cc1	ZINC000003002273	518950204	/nfs/dbraw/zinc/95/02/04/518950204.db2.gz	JJASTWDKIAYLRV-UHFFFAOYSA-N	1	0	295.426	4.167	50	30		CIEARO
C=CC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1	ZINC000006855937	518955518	/nfs/dbraw/zinc/95/55/18/518955518.db2.gz	BSEDOGXQANHSBR-UHFFFAOYSA-N	1	0	287.790	4.195	50	30		CIEARO
CC(C)CCCC#CC[N@@H+]1CCCC[C@H]1c1cccnc1	ZINC000055243457	519637344	/nfs/dbraw/zinc/63/73/44/519637344.db2.gz	FALZIPIZZJECMF-IBGZPJMESA-N	1	0	284.447	4.438	50	30		CIEARO
CCCCCCC[NH2+]Cc1cn(C)c2ccccc12	ZINC000100677913	520058639	/nfs/dbraw/zinc/05/86/39/520058639.db2.gz	XBLDYBKBDDCSLI-UHFFFAOYSA-N	1	0	258.409	4.238	50	30		CIEARO
CCCCCCCCCCSCCSC(N)=[NH2+]	ZINC000097966188	528126478	/nfs/dbraw/zinc/12/64/78/528126478.db2.gz	LPAYNEJETZUCJU-UHFFFAOYSA-N	1	0	276.515	4.487	50	30		CIEARO
CN(C)c1ccc(-c2ccc(C3(C#N)CCCC3)cc2)cn1	ZINC000426723817	566990172	/nfs/dbraw/zinc/99/01/72/566990172.db2.gz	DANJBBPEPKTDBJ-UHFFFAOYSA-N	1	0	291.398	4.150	50	30		CIEARO
CC(C)[C@H](C)[N@H+](Cc1ccco1)Cc1ccc(C#N)cc1	ZINC000055224593	567099197	/nfs/dbraw/zinc/09/91/97/567099197.db2.gz	LSJAKNYXSVJFMB-HNNXBMFYSA-N	1	0	282.387	4.198	50	30		CIEARO
CC(C)[C@@H](C)[N@H+](Cc1ccco1)Cc1ccc(C#N)cc1	ZINC000055224591	567100423	/nfs/dbraw/zinc/10/04/23/567100423.db2.gz	LSJAKNYXSVJFMB-OAHLLOKOSA-N	1	0	282.387	4.198	50	30		CIEARO
C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc2c(c1)CCCC2	ZINC000011093028	567886462	/nfs/dbraw/zinc/88/64/62/567886462.db2.gz	LHJKLWBOZREGQK-HNNXBMFYSA-N	1	0	290.410	4.288	50	30		CIEARO
C[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1	ZINC000100398699	567913134	/nfs/dbraw/zinc/91/31/34/567913134.db2.gz	WRZFUOOSXMQGBT-HWPRWKICSA-N	1	0	294.398	4.271	50	30		CIEARO
CCCCCCCC[NH2+][C@@H](C)C[S@@](=O)c1ccccc1	ZINC000102265263	567915367	/nfs/dbraw/zinc/91/53/67/567915367.db2.gz	USSPSSOSDYIKMG-JXFKEZNVSA-N	1	0	295.492	4.133	50	30		CIEARO
Brc1ccc(/C=[NH+]/C2CCCCC2)cc1	ZINC000000236803	567925565	/nfs/dbraw/zinc/92/55/65/567925565.db2.gz	FAITWFBPKNTNKE-XNTDXEJSSA-N	1	0	266.182	4.201	50	30		CIEARO
CCCCCCCC[NH2+]Cc1cc(OC)ccc1OC	ZINC000105807433	567938628	/nfs/dbraw/zinc/93/86/28/567938628.db2.gz	MNHJDVXXNKLZRB-UHFFFAOYSA-N	1	0	279.424	4.154	50	30		CIEARO
C=CCOc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1	ZINC000013725929	567942243	/nfs/dbraw/zinc/94/22/43/567942243.db2.gz	WUDLMIJVZBXQDI-QGZVFWFLSA-N	1	0	295.426	4.362	50	30		CIEARO
C=CC[NH2+]CCCCOc1ccccc1[C@H](C)CC	ZINC000003003096	570314402	/nfs/dbraw/zinc/31/44/02/570314402.db2.gz	DSTVOJQEKIJHGU-OAHLLOKOSA-N	1	0	261.409	4.135	50	30		CIEARO
C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1	ZINC000012759311	570336650	/nfs/dbraw/zinc/33/66/50/570336650.db2.gz	DJLYNGHLEJQLRO-LBPRGKRZSA-N	1	0	270.763	4.062	50	30		CIEARO
C[C@@H](c1ccc(-c2ccc(C#N)nc2)cc1)[NH+]1CCCCC1	ZINC000065526330	570393203	/nfs/dbraw/zinc/39/32/03/570393203.db2.gz	KCBFWLGKPHBZMA-HNNXBMFYSA-N	1	0	291.398	4.167	50	30		CIEARO
C#CC[N+](CC#Cc1ccccc1)(CCCC)CCCC	ZINC000002226352	717094584	/nfs/dbraw/zinc/09/45/84/717094584.db2.gz	IZVUOTNCBBYCTL-UHFFFAOYSA-N	1	0	282.451	4.088	50	30		CIEARO
C=CC[N+]1(C[C@@H]2[C@@H](C)C=C(C)C[C@@H]2C)CCCCC1	ZINC000103140721	717146207	/nfs/dbraw/zinc/14/62/07/717146207.db2.gz	UDMJNZRMOVJSLS-OKZBNKHCSA-N	1	0	262.461	4.412	50	30		CIEARO
CCCCCCCCCC[C@@H](C(=O)OCC)[N+](C)(C)C	ZINC000100690099	185722552	/nfs/dbraw/zinc/72/25/52/185722552.db2.gz	FCRWJSVSCZSSKM-INIZCTEOSA-N	1	0	286.480	4.155	50	30		CIEARO
CC1(C)[C@H]2CC[C@]1(C)C([NH2+]Nc1ccccc1)=CC2=O	ZINC000006257808	260022719	/nfs/dbraw/zinc/02/27/19/260022719.db2.gz	SGPKIYNXUCMLNP-GNVSXLNQSA-N	1	0	270.376	4.353	50	30		CIEARO
C=CC[NH2+]CCCCOc1ccccc1[C@@H](C)CC	ZINC000003003097	169848827	/nfs/dbraw/zinc/84/88/27/169848827.db2.gz	DSTVOJQEKIJHGU-HNNXBMFYSA-N	1	0	261.409	4.135	50	30		CIEARO
C=C(C)Cn1c2ccccc2nc1[C@H](C)[NH+]1CCCCC1	ZINC000005210123	170076196	/nfs/dbraw/zinc/07/61/96/170076196.db2.gz	UVLYFPGHWZZQPA-HNNXBMFYSA-N	1	0	283.419	4.159	50	30		CIEARO
CC[C@@H](C)[C@@](C#N)(CC[NH+]1CCCCC1)c1ccccc1	ZINC000005922708	170155953	/nfs/dbraw/zinc/15/59/53/170155953.db2.gz	JHWFWJSHRYEDOF-MJGOQNOKSA-N	1	0	284.447	4.370	50	30		CIEARO
C=CC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1	ZINC000006855921	170249429	/nfs/dbraw/zinc/24/94/29/170249429.db2.gz	FCOYJYAEUDTOJO-UHFFFAOYSA-N	1	0	287.790	4.195	50	30		CIEARO
C=CCc1cc(C)ccc1OCCC[N@H+]1CCC[C@@H](C)C1	ZINC000002822963	333056874	/nfs/dbraw/zinc/05/68/74/333056874.db2.gz	WEBNNNVPGDEYBB-QGZVFWFLSA-N	1	0	287.447	4.224	50	30		CIEARO
C=CCC(C)(C)C[N@H+]1CCC[C@@H]1c1c(C)noc1C	ZINC000067820580	518686691	/nfs/dbraw/zinc/68/66/91/518686691.db2.gz	ARSJQVZLABUQGI-CQSZACIVSA-N	1	0	262.397	4.031	50	30		CIEARO
C=CC[NH2+]CCCCOc1ccccc1-c1ccccc1	ZINC000003003551	518951276	/nfs/dbraw/zinc/95/12/76/518951276.db2.gz	XYMJZTZMNPNEKM-UHFFFAOYSA-N	1	0	281.399	4.288	50	30		CIEARO
C=CC[C@@H]1CC=C[C@@H](c2ccccc2)[N@@H+]1Cc1cnc(C)[nH]1	ZINC000055370913	519108682	/nfs/dbraw/zinc/10/86/82/519108682.db2.gz	UKZHVLJEIKUAGZ-MOPGFXCFSA-N	1	0	293.414	4.166	50	30		CIEARO
C=CCc1cc(C)ccc1OCCCC[NH2+]C(C)(C)C	ZINC000003000648	519129742	/nfs/dbraw/zinc/12/97/42/519129742.db2.gz	MLCRLGNXLHPUAK-UHFFFAOYSA-N	1	0	275.436	4.271	50	30		CIEARO
CCCCCCCCCCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000100813599	566917344	/nfs/dbraw/zinc/91/73/44/566917344.db2.gz	OOSWYPPXWOIAFP-KRWDZBQOSA-N	1	0	296.499	4.105	50	30		CIEARO
C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)c1ccc(C#N)cc1	ZINC000019963230	566937785	/nfs/dbraw/zinc/93/77/85/566937785.db2.gz	SMHNKTWBEJEXEW-QDEZUTFSSA-N	1	0	256.393	4.034	50	30		CIEARO
C[N@H+](Cc1ccccc1C#N)[C@@H]1CCCc2ccccc21	ZINC000016342870	566944295	/nfs/dbraw/zinc/94/42/95/566944295.db2.gz	YMHNBXVLLFRRFO-LJQANCHMSA-N	1	0	276.383	4.068	50	30		CIEARO
C=CC[N+]1(C[C@@H]2[C@H](C)C=C(C)C[C@H]2C)CCCCC1	ZINC000245253934	566969329	/nfs/dbraw/zinc/96/93/29/566969329.db2.gz	UDMJNZRMOVJSLS-KZNAEPCWSA-N	1	0	262.461	4.412	50	30		CIEARO
C=CCC[C@@H](O)C[N@@H+](CCC(C)C)Cc1ccccc1C	ZINC000036100061	566994457	/nfs/dbraw/zinc/99/44/57/566994457.db2.gz	GRFOLWQJUGTJCX-LJQANCHMSA-N	1	0	289.463	4.170	50	30		CIEARO
CC(C)CC[NH+](CC#CC1(O)CCCCC1)CCC(C)C	ZINC000002330456	567099909	/nfs/dbraw/zinc/09/99/09/567099909.db2.gz	IKPVPNIFWXVYDL-UHFFFAOYSA-N	1	0	293.495	4.079	50	30		CIEARO
O=C(C[n+]1ccc2ccccc2c1)c1ccc2ccccc2c1	ZINC000001667311	567840688	/nfs/dbraw/zinc/84/06/88/567840688.db2.gz	AANYNJYYIVGPTN-UHFFFAOYSA-N	1	0	298.365	4.163	50	30		CIEARO
COc1ccc([C@@H]([NH2+]Cc2cccc(C#N)c2)C(C)C)cc1	ZINC000022817906	567861126	/nfs/dbraw/zinc/86/11/26/567861126.db2.gz	XZVPYMMTQZRLJR-IBGZPJMESA-N	1	0	294.398	4.054	50	30		CIEARO
C[C@@H]1/C(=N/O)C[C@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1	ZINC000013142980	567865342	/nfs/dbraw/zinc/86/53/42/567865342.db2.gz	WRZFUOOSXMQGBT-CYYXIOKGSA-N	1	0	294.398	4.271	50	30		CIEARO
CCCCCCC[NH2+]CCOc1ccc(CC)cc1	ZINC000100027199	567911926	/nfs/dbraw/zinc/91/19/26/567911926.db2.gz	MHEVKTDWROHVBC-UHFFFAOYSA-N	1	0	263.425	4.188	50	30		CIEARO
CCCCCCCC[NH2+][C@H](C)C[S@](=O)c1ccccc1	ZINC000102265270	567915228	/nfs/dbraw/zinc/91/52/28/567915228.db2.gz	USSPSSOSDYIKMG-OXQOHEQNSA-N	1	0	295.492	4.133	50	30		CIEARO
CCCCCCCC[NH2+]Cc1ccc(N(C)C)cc1	ZINC000104156140	567938165	/nfs/dbraw/zinc/93/81/65/567938165.db2.gz	YZEVUFBKIWRNBD-UHFFFAOYSA-N	1	0	262.441	4.203	50	30		CIEARO
N#Cc1c2c(sc1/[NH+]=C/N1CCCCCC1)CCCC2	ZINC000000227181	570271646	/nfs/dbraw/zinc/27/16/46/570271646.db2.gz	WILDPBLODXIJIY-LDADJPATSA-N	1	0	287.432	4.034	50	30		CIEARO
C=CC[NH2+]CCCOc1ccc(Cl)cc1C(C)(C)C	ZINC000003003580	570314399	/nfs/dbraw/zinc/31/43/99/570314399.db2.gz	HFFGRDZZXDZKDV-UHFFFAOYSA-N	1	0	281.827	4.182	50	30		CIEARO
C=C1C[C@@]2(CC)CCC[N@@H+]3CC[C@@H]4c5ccccc5N1[C@@H]4[C@H]32	ZINC000936069033	613417534	/nfs/dbraw/zinc/41/75/34/613417534.db2.gz	NZYGLFJBQFPUIE-BTHPGYMESA-N	1	0	294.442	4.141	50	30		CIEARO
C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(C#N)cc1	ZINC000219839356	230396995	/nfs/dbraw/zinc/39/69/95/230396995.db2.gz	SMHNKTWBEJEXEW-XJIUQZFPSA-N	1	0	256.393	4.034	50	30		CIEARO
CC[C@@H]1/C(=N\O)C[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000105346362	186053379	/nfs/dbraw/zinc/05/33/79/186053379.db2.gz	KELKCHCDSYUMCO-NCCMNSNASA-N	1	0	294.398	4.319	50	30		CIEARO
C=CC[NH2+]CCCCCOc1cccc2ccccc21	ZINC000004997139	170052099	/nfs/dbraw/zinc/05/20/99/170052099.db2.gz	ROGBOSRTDZGFQB-UHFFFAOYSA-N	1	0	269.388	4.165	50	30		CIEARO
C[NH+]=C(Nc1ccc2ccccc2c1)c1ccccc1	ZINC000008075038	170317621	/nfs/dbraw/zinc/31/76/21/170317621.db2.gz	TUSJQWBTBXCNFY-UHFFFAOYSA-N	1	0	260.340	4.328	50	30		CIEARO
C=CC[NH+](CC=C)Cc1c(C)[nH]c2c(C)ccc(C)c2c1=O	ZINC000008717474	170349462	/nfs/dbraw/zinc/34/94/62/170349462.db2.gz	ITWHPHBCRYSGLP-UHFFFAOYSA-N	1	0	296.414	4.040	50	30		CIEARO
FC(F)(F)[S+](c1ccccc1)c1ccccc1	ZINC000040186595	174203245	/nfs/dbraw/zinc/20/32/45/174203245.db2.gz	FXIXJKOVGVATTM-UHFFFAOYSA-N	1	0	255.284	4.243	50	30		CIEARO
C=CCc1cccc(Cl)c1OCC[NH+](CC=C)CC=C	ZINC000020272293	260150173	/nfs/dbraw/zinc/15/01/73/260150173.db2.gz	NPGAWLCNAYRZJY-UHFFFAOYSA-N	1	0	291.822	4.121	50	30		CIEARO
C[NH+]1[C@H](c2ccccc2)CC(=NO)C[C@H]1c1ccccc1	ZINC000055450203	524031682	/nfs/dbraw/zinc/03/16/82/524031682.db2.gz	PBJCHMDKVHLZPM-ROUUACIJSA-N	1	0	280.371	4.025	50	30	in-vitro	CIEARO
O=C(C[n+]1ccc2ccccc2c1)c1cccc2ccccc21	ZINC000001667309	545514735	/nfs/dbraw/zinc/51/47/35/545514735.db2.gz	LQKOYVKDUXDFKL-UHFFFAOYSA-N	1	0	298.365	4.163	50	30		CIEARO
N#CCCCC[NH+]1Cc2ccccc2-c2ccccc2C1	ZINC000060366589	567895010	/nfs/dbraw/zinc/89/50/10/567895010.db2.gz	GQLGDASREVHPQW-UHFFFAOYSA-N	1	0	276.383	4.363	50	30		CIEARO
C[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1	ZINC000096429656	567910021	/nfs/dbraw/zinc/91/00/21/567910021.db2.gz	WRZFUOOSXMQGBT-ILOICZLQSA-N	1	0	294.398	4.271	50	30		CIEARO
C=CCOc1ccc(C[NH2+]CCCCCCC)cc1	ZINC000100126293	567912282	/nfs/dbraw/zinc/91/22/82/567912282.db2.gz	CHXOTSYCRPOJNG-UHFFFAOYSA-N	1	0	261.409	4.311	50	30		CIEARO
CCCCCCC[NH2+]Cc1cccc(Oc2ncccn2)c1	ZINC000102552147	567915383	/nfs/dbraw/zinc/91/53/83/567915383.db2.gz	GYPKDWUDEGXCGS-UHFFFAOYSA-N	1	0	299.418	4.329	50	30		CIEARO
CCCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000103034195	567937956	/nfs/dbraw/zinc/93/79/56/567937956.db2.gz	SIKGRBLFUFMKSW-UHFFFAOYSA-N	1	0	264.369	4.045	50	30		CIEARO
C=C(C)C[N@@H+](CC)Cc1cc(-c2ccccc2)ccc1O	ZINC000014880585	567945542	/nfs/dbraw/zinc/94/55/42/567945542.db2.gz	GJDTVGQFMNRKPJ-UHFFFAOYSA-N	1	0	281.399	4.457	50	30		CIEARO
CCCCCCCC[NH2+]Cc1ccc(OC)cc1OC	ZINC000100048623	570257530	/nfs/dbraw/zinc/25/75/30/570257530.db2.gz	INADFRUKRCPKFU-UHFFFAOYSA-N	1	0	279.424	4.154	50	30		CIEARO
Clc1ccc(/C=[NH+]/[C@H]2C[C@H]2c2ccccc2)cc1	ZINC000000494777	570283046	/nfs/dbraw/zinc/28/30/46/570283046.db2.gz	SEJGJJWQNRGYNI-DYFSNASRSA-N	1	0	255.748	4.315	50	30		CIEARO
C=CCn1c2ccccc2nc1[C@@H](C)[NH+]1CCCCCC1	ZINC000082086977	570325251	/nfs/dbraw/zinc/32/52/51/570325251.db2.gz	QSPQPGXYFZYUKS-OAHLLOKOSA-N	1	0	283.419	4.159	50	30		CIEARO
CCC[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1	ZINC000070217506	570403582	/nfs/dbraw/zinc/40/35/82/570403582.db2.gz	RLGIDDGQOPBVNU-AWEZNQCLSA-N	1	0	274.383	4.100	50	30		CIEARO
C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)c1ccc(C#N)cc1	ZINC000225442113	189751533	/nfs/dbraw/zinc/75/15/33/189751533.db2.gz	SMHNKTWBEJEXEW-AYMQEEERSA-N	1	0	256.393	4.034	50	30		CIEARO
C=CC[NH2+]CCCCOc1cc(C)cc(C(C)C)c1	ZINC000003000945	169848328	/nfs/dbraw/zinc/84/83/28/169848328.db2.gz	RGGLSGVICXIANX-UHFFFAOYSA-N	1	0	261.409	4.053	50	30		CIEARO
C[C@H]1C(=NO)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000004714099	170004058	/nfs/dbraw/zinc/00/40/58/170004058.db2.gz	XIRQHDWKOLWYKM-BZUPMSHVSA-N	1	0	294.398	4.175	50	30		CIEARO
C=CC[NH2+]Cc1cc(Cl)c(OC(C)C)c(Cl)c1	ZINC000004857740	170031525	/nfs/dbraw/zinc/03/15/25/170031525.db2.gz	ITMGLZYVVGTJDN-UHFFFAOYSA-N	1	0	274.191	4.056	50	30		CIEARO
CCOc1ccc([NH+]=C(C)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000005196964	170075506	/nfs/dbraw/zinc/07/55/06/170075506.db2.gz	WLGGPVICIWASRR-UHFFFAOYSA-N	1	0	299.330	4.156	50	30		CIEARO
C=CCOc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1	ZINC000006312982	170190115	/nfs/dbraw/zinc/19/01/15/170190115.db2.gz	OSHGBSYBDNYVIZ-UHFFFAOYSA-N	1	0	297.442	4.166	50	30		CIEARO
C=CCOc1ccc(C[NH2+]C2CCCCCC2)cc1OC	ZINC000008471095	170337079	/nfs/dbraw/zinc/33/70/79/170337079.db2.gz	WPIKQIRKEJNPKD-UHFFFAOYSA-N	1	0	289.419	4.072	50	30		CIEARO
C=CC[n+]1ccccc1C=C1Sc2ccccc2N1CC	ZINC000020070425	170982371	/nfs/dbraw/zinc/98/23/71/170982371.db2.gz	PHXYNHHZPQCFEP-UHFFFAOYSA-N	1	0	295.431	4.121	50	30		CIEARO
C=CC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)cc1	ZINC000040728150	174387837	/nfs/dbraw/zinc/38/78/37/174387837.db2.gz	STXBHUGFNKXCMN-UHFFFAOYSA-N	1	0	287.790	4.195	50	30		CIEARO
C=CCc1cc(Cl)ccc1OCCC[NH+]1CCCCC1	ZINC000003001992	519132185	/nfs/dbraw/zinc/13/21/85/519132185.db2.gz	CWBYEUNOUZXBLP-UHFFFAOYSA-N	1	0	293.838	4.323	50	30		CIEARO
C=CCn1cc(C[N@@H+]2CCC[C@H]2c2ccccc2C)c(C)n1	ZINC000055309360	519277657	/nfs/dbraw/zinc/27/76/57/519277657.db2.gz	CDQKXLKWIHBBCY-IBGZPJMESA-N	1	0	295.430	4.023	50	30		CIEARO
C=CC[NH+](CC=C)CCOc1cc(Cl)ccc1Cl	ZINC000020272227	527642159	/nfs/dbraw/zinc/64/21/59/527642159.db2.gz	KXLMRWULVWYUGP-UHFFFAOYSA-N	1	0	286.202	4.046	50	30		CIEARO
CCCCCCC[n+]1ccc(C(=O)c2ccccc2)cc1	ZINC000001712173	528137305	/nfs/dbraw/zinc/13/73/05/528137305.db2.gz	QRQVQDJPJRXXRM-UHFFFAOYSA-N	1	0	282.407	4.176	50	30		CIEARO
C=CC[NH2+]Cc1cn(Cc2ccc(C)cc2)c2ccccc12	ZINC000057353140	566871961	/nfs/dbraw/zinc/87/19/61/566871961.db2.gz	IMBKAZQZHSBXDU-UHFFFAOYSA-N	1	0	290.410	4.274	50	30		CIEARO
C=CCC[C@H](O)C[N@@H+](CCC(C)C)Cc1cccc(C)c1	ZINC000036100755	566994973	/nfs/dbraw/zinc/99/49/73/566994973.db2.gz	SXMONLQDEXHSQY-IBGZPJMESA-N	1	0	289.463	4.170	50	30		CIEARO
C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)s1	ZINC000027221731	567058709	/nfs/dbraw/zinc/05/87/09/567058709.db2.gz	ZVMJKZKLYAPNTE-JTQLQIEISA-N	1	0	276.792	4.124	50	30		CIEARO
CCCCCCCC(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000070670022	567119615	/nfs/dbraw/zinc/11/96/15/567119615.db2.gz	BPIODMZQXSFQCA-DLBZAZTESA-N	1	0	295.467	4.155	50	30		CIEARO
C[C@]1(C#N)CCCN(Cc2ccc(-c3ccco3)cc2)C1	ZINC000670443490	567173998	/nfs/dbraw/zinc/17/39/98/567173998.db2.gz	FJILVIYIQXJMSY-GOSISDBHSA-N	1	0	280.371	4.072	50	30		CIEARO
O=C(C[n+]1cccc2ccccc21)c1ccc2ccccc2c1	ZINC000001667310	567840845	/nfs/dbraw/zinc/84/08/45/567840845.db2.gz	JVVBACZHQIXOTI-UHFFFAOYSA-N	1	0	298.365	4.163	50	30		CIEARO
CCC(C)(C)[N@H+](CCC#N)Cc1cccc(Cl)c1	ZINC000097100461	567904472	/nfs/dbraw/zinc/90/44/72/567904472.db2.gz	OHNMYUBRWCHKIB-UHFFFAOYSA-N	1	0	264.800	4.244	50	30		CIEARO
C=CCOc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1	ZINC000013725925	567942153	/nfs/dbraw/zinc/94/21/53/567942153.db2.gz	WUDLMIJVZBXQDI-KRWDZBQOSA-N	1	0	295.426	4.362	50	30		CIEARO
C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)[n+]1ccccc1	ZINC000001955939	570214828	/nfs/dbraw/zinc/21/48/28/570214828.db2.gz	XFUOWSIVPDOZPZ-INIZCTEOSA-N	1	0	288.370	4.085	50	30		CIEARO
Cc1ccccc1C(=NCCC[NH+](C)C)c1ccccc1C	ZINC000004655769	570246876	/nfs/dbraw/zinc/24/68/76/570246876.db2.gz	ZZZSDDPSKYQOIU-UHFFFAOYSA-N	1	0	294.442	4.093	50	30		CIEARO
CC(C)CC[NH+](CC#Cc1ccccc1)CCC(C)C	ZINC000003130602	570320030	/nfs/dbraw/zinc/32/00/30/570320030.db2.gz	SNHKHDKHJRYRSQ-UHFFFAOYSA-N	1	0	271.448	4.432	50	30		CIEARO
C=CC[C@@H]1CC=C[C@@H](C)[N@H+]1Cc1nc(-c2ccco2)oc1C	ZINC000012583052	570339733	/nfs/dbraw/zinc/33/97/33/570339733.db2.gz	UMCFBINULBTJER-UKRRQHHQSA-N	1	0	298.386	4.338	50	30		CIEARO
C=CCc1ccccc1OCCCC[NH2+]Cc1ccccc1	ZINC000002821852	570371409	/nfs/dbraw/zinc/37/14/09/570371409.db2.gz	QUGYELXSRUDPSE-UHFFFAOYSA-N	1	0	295.426	4.364	50	30		CIEARO
C=CC[NH2+]CCCCOc1ccc(C(C)C)c(C)c1	ZINC000003003892	169849381	/nfs/dbraw/zinc/84/93/81/169849381.db2.gz	MOPKWXQXGJVMLX-UHFFFAOYSA-N	1	0	261.409	4.053	50	30		CIEARO
C=CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1	ZINC000006586024	170216456	/nfs/dbraw/zinc/21/64/56/170216456.db2.gz	KEYFJLJHCAAQGQ-HNNXBMFYSA-N	1	0	267.372	4.102	50	30		CIEARO
O=[N+](Cc1ccc(Cl)cc1)Cc1cccc(Cl)c1	ZINC000012956832	170522836	/nfs/dbraw/zinc/52/28/36/170522836.db2.gz	VTBNNWMGFSHYIZ-MFOYZWKCSA-N	1	0	280.154	4.123	50	30		CIEARO
N#Cc1ccccc1-c1ccc(C[NH+]2CCCCC2)cc1	ZINC000014855691	170647356	/nfs/dbraw/zinc/64/73/56/170647356.db2.gz	SXVRXQHHOWVZGU-UHFFFAOYSA-N	1	0	276.383	4.211	50	30		CIEARO
C[NH+]=C(Nc1ccccc1C(C)C)c1ccccc1	ZINC000035731353	172381259	/nfs/dbraw/zinc/38/12/59/172381259.db2.gz	NGQOYMGQFOAFKE-UHFFFAOYSA-N	1	0	252.361	4.108	50	30		CIEARO
CCCCCCCCCCCCCC[C@@H]([NH3+])CO	ZINC000038152015	174134686	/nfs/dbraw/zinc/13/46/86/174134686.db2.gz	MNGRWBQCRJBGSJ-MRXNPFEDSA-N	1	0	257.462	4.397	50	30		CIEARO
CCn1cc(C[N@@H+]2CCCCC[C@H]2c2ccco2)cc1C#N	ZINC000072146675	176324907	/nfs/dbraw/zinc/32/49/07/176324907.db2.gz	RXLXXUGKYUGRAF-KRWDZBQOSA-N	1	0	297.402	4.090	50	30		CIEARO
C=CCOc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1OC	ZINC000004670796	263121378	/nfs/dbraw/zinc/12/13/78/263121378.db2.gz	STHNUNDEWILSQW-OAHLLOKOSA-N	1	0	297.398	4.111	50	30		CIEARO
C=CC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1	ZINC000006855858	518953743	/nfs/dbraw/zinc/95/37/43/518953743.db2.gz	BUQNYIGNVVBHNV-UHFFFAOYSA-N	1	0	287.790	4.195	50	30		CIEARO
C=CC[NH2+]Cc1ccccc1OCc1ccccc1Cl	ZINC000006855943	518955752	/nfs/dbraw/zinc/95/57/52/518955752.db2.gz	GCVZHTJWMYFDSG-UHFFFAOYSA-N	1	0	287.790	4.195	50	30		CIEARO
C=CCc1ccccc1OCCCC[NH+]1CCC(C)CC1	ZINC000003002081	519142771	/nfs/dbraw/zinc/14/27/71/519142771.db2.gz	NXXBHHDFONDYTK-UHFFFAOYSA-N	1	0	287.447	4.306	50	30		CIEARO
CCCCCCCCCCCC[n+]1ccc(N)cc1	ZINC000003122294	520016093	/nfs/dbraw/zinc/01/60/93/520016093.db2.gz	JDGQYAUETBNXKG-UHFFFAOYSA-O	1	0	263.449	4.477	50	30		CIEARO
CCCCCCCCC[C@H](C)N(C)C(=O)C[NH+]1CCCC1	ZINC000101014490	567914472	/nfs/dbraw/zinc/91/44/72/567914472.db2.gz	LLDZJBCARZMJQN-KRWDZBQOSA-N	1	0	296.499	4.070	50	30		CIEARO
C=CCn1cc(C[N@H+](Cc2cccc(C)c2)C(C)C)c(C)n1	ZINC000055281924	566869334	/nfs/dbraw/zinc/86/93/34/566869334.db2.gz	GEDMUHNRUDVXLU-UHFFFAOYSA-N	1	0	297.446	4.097	50	30		CIEARO
C=CC[NH2+]Cc1cn(Cc2ccccc2C)c2ccccc12	ZINC000057353168	566871801	/nfs/dbraw/zinc/87/18/01/566871801.db2.gz	QAYGBPKINXMMKB-UHFFFAOYSA-N	1	0	290.410	4.274	50	30		CIEARO
CC[NH+](CC)CC#C[C@@](OC)(c1ccccc1)C1CCCC1	ZINC000001813514	566903087	/nfs/dbraw/zinc/90/30/87/566903087.db2.gz	KCPRPKFASBASSR-HXUWFJFHSA-N	1	0	299.458	4.064	50	30		CIEARO
CC(C)(CCC#N)C[NH2+]CC1(c2ccc(Cl)cc2)CC1	ZINC000170642674	567056664	/nfs/dbraw/zinc/05/66/64/567056664.db2.gz	HPXDHXDWNDJSFZ-UHFFFAOYSA-N	1	0	290.838	4.291	50	30		CIEARO
C[C@@]1(C#N)CCCN(Cc2ccc(-c3ccco3)cc2)C1	ZINC000670443491	567174069	/nfs/dbraw/zinc/17/40/69/567174069.db2.gz	FJILVIYIQXJMSY-SFHVURJKSA-N	1	0	280.371	4.072	50	30		CIEARO
CC[C@@H](C)[C@@](C#N)(CC[NH+](CC)CC)c1ccccc1	ZINC000001649114	567840126	/nfs/dbraw/zinc/84/01/26/567840126.db2.gz	WQQPLWOAYDTFGS-AEFFLSMTSA-N	1	0	272.436	4.226	50	30		CIEARO
CCCCCCC[n+]1ccc(-c2ccncc2)cc1	ZINC000002504710	567846335	/nfs/dbraw/zinc/84/63/35/567846335.db2.gz	WYJGWFYJRVCTAW-UHFFFAOYSA-N	1	0	255.385	4.007	50	30		CIEARO
CCOc1ccc([NH+]=C(C)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000004532643	567858322	/nfs/dbraw/zinc/85/83/22/567858322.db2.gz	AXPXNLUSAULGHS-UHFFFAOYSA-N	1	0	299.330	4.156	50	30		CIEARO
C=CC[NH+](CC=C)Cc1ccc(OCc2ccccc2)cc1	ZINC000004548647	567869456	/nfs/dbraw/zinc/86/94/56/567869456.db2.gz	LNOLOJBXSGUTLB-UHFFFAOYSA-N	1	0	293.410	4.440	50	30		CIEARO
C(=[NH+]/CCc1c[nH]c2ccccc12)\c1ccc2[nH]ccc2c1	ZINC000019894228	567879637	/nfs/dbraw/zinc/87/96/37/567879637.db2.gz	XQGXETDZAJYCCO-UDWIEESQSA-N	1	0	287.366	4.311	50	30		CIEARO
CCCCCCCCCCCS/C(NC)=[NH+]\C	ZINC000100167471	567912392	/nfs/dbraw/zinc/91/23/92/567912392.db2.gz	MCVACOGHFKYTKZ-UHFFFAOYSA-N	1	0	258.475	4.456	50	30		CIEARO
CSc1ss/c(=[S+]\C)c1-c1ccccc1	ZINC000004300596	567938059	/nfs/dbraw/zinc/93/80/59/567938059.db2.gz	KRQJZOIRWQSKOG-UHFFFAOYSA-N	1	0	271.477	4.443	50	30		CIEARO
C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000032754438	570221887	/nfs/dbraw/zinc/22/18/87/570221887.db2.gz	CTHAHTAEROWAJX-AWEZNQCLSA-N	1	0	290.366	4.497	50	30		CIEARO
CC[C@@H]1/C(=N/O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000013539942	570237764	/nfs/dbraw/zinc/23/77/64/570237764.db2.gz	KELKCHCDSYUMCO-HPFZAGPJSA-N	1	0	294.398	4.319	50	30		CIEARO
C#CCCCC[NH2+][C@H](C)c1ccc(SC)c(F)c1	ZINC000090398477	570352547	/nfs/dbraw/zinc/35/25/47/570352547.db2.gz	AVNWHYCCGCRIBG-GFCCVEGCSA-N	1	0	265.397	4.002	50	30		CIEARO
C=C(C)[C@@H]1CC=C(C[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000001229227	136379468	/nfs/dbraw/zinc/37/94/68/136379468.db2.gz	MOKRMRFQHJXPRV-LJQANCHMSA-N	1	0	296.458	4.111	50	30		CIEARO
C=CCc1cc(Cl)ccc1OCCC[NH2+][C@@H](C)CC	ZINC000002823338	169834486	/nfs/dbraw/zinc/83/44/86/169834486.db2.gz	RDCDECHOIHHUNU-ZDUSSCGKSA-N	1	0	281.827	4.226	50	30		CIEARO
C=CCOc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2	ZINC000005068845	170063553	/nfs/dbraw/zinc/06/35/53/170063553.db2.gz	PLRDRAULXKLXLP-UHFFFAOYSA-N	1	0	297.442	4.310	50	30		CIEARO
C=CCNc1cc(-c2ccccc2)[nH+]c2ccccc12	ZINC000005495010	170104247	/nfs/dbraw/zinc/10/42/47/170104247.db2.gz	ABKQCWXECOXHCG-UHFFFAOYSA-N	1	0	260.340	4.500	50	30		CIEARO
C=CCOc1ccc(C[NH2+]C2CCCCCCC2)cc1	ZINC000006856062	170249680	/nfs/dbraw/zinc/24/96/80/170249680.db2.gz	FIFXSIFIPDSRDQ-UHFFFAOYSA-N	1	0	273.420	4.454	50	30		CIEARO
C=CC[NH+](CC=C)CCOc1ccc(-c2ccccc2)cc1	ZINC000020272719	171127214	/nfs/dbraw/zinc/12/72/14/171127214.db2.gz	WGNYBRSOXNYLTO-UHFFFAOYSA-N	1	0	293.410	4.406	50	30		CIEARO
N#Cc1ccccc1C[N@@H+]1CCCCC[C@@H]1c1ccco1	ZINC000077355777	177256361	/nfs/dbraw/zinc/25/63/61/177256361.db2.gz	QURDZKWEWPLHEY-QGZVFWFLSA-N	1	0	280.371	4.269	50	30		CIEARO
C[C@@H](C(=O)c1ccc(Cl)cc1)[n+]1cccc2ccccc21	ZINC000003132812	260011012	/nfs/dbraw/zinc/01/10/12/260011012.db2.gz	WOENDLQUMWJMIW-ZDUSSCGKSA-N	1	0	296.777	4.225	50	30		CIEARO
C=CCc1cc(C)ccc1OCCC[N@H+]1CCC[C@H](C)C1	ZINC000002822965	333056969	/nfs/dbraw/zinc/05/69/69/333056969.db2.gz	WEBNNNVPGDEYBB-KRWDZBQOSA-N	1	0	287.447	4.224	50	30		CIEARO
C(=[NH+]/OCc1ccccc1)\c1ccc(N2CCCCC2)cc1	ZINC000002969132	527473229	/nfs/dbraw/zinc/47/32/29/527473229.db2.gz	KKCLSZPXYOMKDK-HMMYKYKNSA-N	1	0	294.398	4.228	50	30		CIEARO
C=CC[NH+](CC=C)CCOc1ccc([C@@H](C)CC)cc1	ZINC000020272237	527642669	/nfs/dbraw/zinc/64/26/69/527642669.db2.gz	JRSJKYFLBAEVLD-INIZCTEOSA-N	1	0	273.420	4.253	50	30		CIEARO
C=CC[N@@H+](Cc1ccc(C)s1)Cc1cc(F)ccc1O	ZINC000055306857	566870133	/nfs/dbraw/zinc/87/01/33/566870133.db2.gz	XVNHMUXWSYHQCB-UHFFFAOYSA-N	1	0	291.391	4.089	50	30		CIEARO
C=CC[N@H+](CCCc1ccccc1)Cc1cccs1	ZINC000084638117	566885208	/nfs/dbraw/zinc/88/52/08/566885208.db2.gz	SGFJXJQBGKCIAT-UHFFFAOYSA-N	1	0	271.429	4.369	50	30		CIEARO
CC[NH+](CC)CC#C[C@](OC)(c1ccccc1)C1CCCC1	ZINC000001813515	566903799	/nfs/dbraw/zinc/90/37/99/566903799.db2.gz	KCPRPKFASBASSR-FQEVSTJZSA-N	1	0	299.458	4.064	50	30		CIEARO
CCCCCCCCCCCCOC(=O)CCC[NH3+]	ZINC000101041998	566919148	/nfs/dbraw/zinc/91/91/48/566919148.db2.gz	PBXGSZBSPPAMEL-UHFFFAOYSA-N	1	0	271.445	4.189	50	30		CIEARO
CCCCCCCN1c2ccccc2N2CCC[NH+]=C12	ZINC000001796143	567843531	/nfs/dbraw/zinc/84/35/31/567843531.db2.gz	NBRRQUKYSKMPCJ-UHFFFAOYSA-N	1	0	271.408	4.043	50	30		CIEARO
Oc1ccc2ccccc2c1/C=N/CCc1ccccc1	ZINC000013552839	567866485	/nfs/dbraw/zinc/86/64/85/567866485.db2.gz	AXXRPBSYYXPGOL-XSFVSMFZSA-N	1	0	275.351	4.207	50	30		CIEARO
C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(Cl)c1	ZINC000011038163	567883791	/nfs/dbraw/zinc/88/37/91/567883791.db2.gz	AYYHIIXBUHCHBN-GFCCVEGCSA-N	1	0	270.763	4.062	50	30		CIEARO
CCCCCCC[NH2+]Cc1cccc(OC)c1OCC	ZINC000100126187	567912229	/nfs/dbraw/zinc/91/22/29/567912229.db2.gz	WUTHLACRUJXOLE-UHFFFAOYSA-N	1	0	279.424	4.154	50	30		CIEARO
C=CCOc1ccc(C[NH2+]CCCCCCC)cc1OC	ZINC000100126298	567912236	/nfs/dbraw/zinc/91/22/36/567912236.db2.gz	ZTVSZYATXFKMLD-UHFFFAOYSA-N	1	0	291.435	4.320	50	30		CIEARO
Clc1ccc(/C=[NH+]/CCc2c[nH]c3ccccc23)cc1	ZINC000100399419	567913138	/nfs/dbraw/zinc/91/31/38/567913138.db2.gz	NTDMPHJZQJGEFC-YBFXNURJSA-N	1	0	282.774	4.483	50	30		CIEARO
C=CC[NH2+]CCCCOc1ccc(C(C)(C)C)cc1C	ZINC000003003481	567952431	/nfs/dbraw/zinc/95/24/31/567952431.db2.gz	UWCVYMFNZFKFRC-UHFFFAOYSA-N	1	0	275.436	4.227	50	30		CIEARO
CCCCCCCC[NH2+]Cc1ccc(OC)c(OC)c1	ZINC000100048903	570257553	/nfs/dbraw/zinc/25/75/53/570257553.db2.gz	UHCOWPKOCCLZOY-UHFFFAOYSA-N	1	0	279.424	4.154	50	30		CIEARO
C=CCc1cccc(Cl)c1OCCC[NH2+]C1CCCC1	ZINC000002844382	570311029	/nfs/dbraw/zinc/31/10/29/570311029.db2.gz	WKDWONNWWFLDQK-UHFFFAOYSA-N	1	0	293.838	4.370	50	30		CIEARO
C=CCn1c2ccccc2nc1[C@H](C)[NH+]1CCCCCC1	ZINC000082086976	570325105	/nfs/dbraw/zinc/32/51/05/570325105.db2.gz	QSPQPGXYFZYUKS-HNNXBMFYSA-N	1	0	283.419	4.159	50	30		CIEARO
C=C(C)C[N@@H+](CC)Cc1nc(-c2cccc(C)c2)oc1C	ZINC000012455006	570339738	/nfs/dbraw/zinc/33/97/38/570339738.db2.gz	HCUVJXBNLREBQM-UHFFFAOYSA-N	1	0	284.403	4.356	50	30		CIEARO
Oc1ccc(/C=[NH+]/CC2(c3ccccc3)CCCC2)cc1	ZINC000000186766	169567737	/nfs/dbraw/zinc/56/77/37/169567737.db2.gz	NRMSKTPKBQIUGC-XSFVSMFZSA-N	1	0	279.383	4.323	50	30		CIEARO
C=CC[N+](CC)(CC)CC#Cc1cccc2ccccc12	ZINC000002255613	169783499	/nfs/dbraw/zinc/78/34/99/169783499.db2.gz	GEIPSTGAERSWSX-UHFFFAOYSA-N	1	0	278.419	4.234	50	30		CIEARO
C=CCc1cccc(C)c1OCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000004905944	170039179	/nfs/dbraw/zinc/03/91/79/170039179.db2.gz	KEVGSSGBDNQOAR-HZPDHXFCSA-N	1	0	287.447	4.080	50	30		CIEARO
C=CC[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1	ZINC000004942923	170043508	/nfs/dbraw/zinc/04/35/08/170043508.db2.gz	YBQGBRNOZCYMDO-UHFFFAOYSA-N	1	0	261.752	4.184	50	30		CIEARO
C=C(C)C[N@@H+](CC)Cc1ccc(OC)c2ccccc12	ZINC000004988579	170049357	/nfs/dbraw/zinc/04/93/57/170049357.db2.gz	PJHLPEHUXLKIKH-UHFFFAOYSA-N	1	0	269.388	4.246	50	30		CIEARO
CN/C(=[NH+]\C)SCc1c(C)cc(C(C)(C)C)cc1C	ZINC000006560498	170213860	/nfs/dbraw/zinc/21/38/60/170213860.db2.gz	HWTQWFXQPWYHNZ-UHFFFAOYSA-N	1	0	278.465	4.039	50	30		CIEARO
C=CC[NH+](CC=C)CCOc1ccc(C(C)C)c(C)c1	ZINC000020272593	171127830	/nfs/dbraw/zinc/12/78/30/171127830.db2.gz	LWQCLMJIIYACIC-UHFFFAOYSA-N	1	0	273.420	4.171	50	30		CIEARO
C=CC[NH2+]Cc1cc(Cl)c(OCCC)c(Cl)c1	ZINC000020926395	171280605	/nfs/dbraw/zinc/28/06/05/171280605.db2.gz	PCPFUHZCNOHDTD-UHFFFAOYSA-N	1	0	274.191	4.058	50	30		CIEARO
CCCCCCCCCCCCCC[C@H]([NH3+])CO	ZINC000038152014	174134460	/nfs/dbraw/zinc/13/44/60/174134460.db2.gz	MNGRWBQCRJBGSJ-INIZCTEOSA-N	1	0	257.462	4.397	50	30		CIEARO
CCn1cc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)cc1C#N	ZINC000072146674	176324969	/nfs/dbraw/zinc/32/49/69/176324969.db2.gz	RXLXXUGKYUGRAF-QGZVFWFLSA-N	1	0	297.402	4.090	50	30		CIEARO
CC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1	ZINC000035055401	566858002	/nfs/dbraw/zinc/85/80/02/566858002.db2.gz	MLCXPCQIBIIOJM-KRWDZBQOSA-N	1	0	284.790	4.453	50	30		CIEARO
CC(C)(C#N)c1ccc(-c2cccc3c(N)cc[nH+]c32)cc1	ZINC000426429856	566988733	/nfs/dbraw/zinc/98/87/33/566988733.db2.gz	SKWHAQRHWHELQJ-UHFFFAOYSA-N	1	0	287.366	4.116	50	30		CIEARO
C=C(C)CC[N@@H+](C)Cc1ccccc1C(F)(F)F	ZINC000170599646	567012787	/nfs/dbraw/zinc/01/27/87/567012787.db2.gz	ZZTUBKWEDWBRIB-UHFFFAOYSA-N	1	0	257.299	4.103	50	30		CIEARO
C(#CC1([NH+]2CCCCC2)CCCCC1)c1ccccc1	ZINC000003659555	567881360	/nfs/dbraw/zinc/88/13/60/567881360.db2.gz	KQCNZPHZQGRNGL-UHFFFAOYSA-N	1	0	267.416	4.227	50	30		CIEARO
C=CC[NH+](CC=C)Cc1cccc(OCc2ccccc2)c1	ZINC000004602913	567892793	/nfs/dbraw/zinc/89/27/93/567892793.db2.gz	OHUVZJSPDNNDKZ-UHFFFAOYSA-N	1	0	293.410	4.440	50	30		CIEARO
C=CCN(CC=C)Cc1ccc(Cl)cc1Cl	ZINC000004688999	567901845	/nfs/dbraw/zinc/90/18/45/567901845.db2.gz	TZKPCMNRBZFZEU-UHFFFAOYSA-N	1	0	256.176	4.167	50	30		CIEARO
Cc1ccc([N+](=O)Cc2ccc(Br)cc2)cc1	ZINC000000078938	567907356	/nfs/dbraw/zinc/90/73/56/567907356.db2.gz	ZQNMYUGXPZWALV-YBEGLDIGSA-N	1	0	290.160	4.018	50	30		CIEARO
CCCCCCC[NH2+]Cc1ccc(OCC)c(OC)c1	ZINC000100126143	567912268	/nfs/dbraw/zinc/91/22/68/567912268.db2.gz	PELYDIYYIDAISN-UHFFFAOYSA-N	1	0	279.424	4.154	50	30		CIEARO
CCCCCCC[NH2+]Cc1cc(Cl)ccc1OC	ZINC000102560570	567915204	/nfs/dbraw/zinc/91/52/04/567915204.db2.gz	LPORLFNEIPJFFF-UHFFFAOYSA-N	1	0	269.816	4.409	50	30		CIEARO
CCC[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1	ZINC000060904245	567917286	/nfs/dbraw/zinc/91/72/86/567917286.db2.gz	RLGIDDGQOPBVNU-CQSZACIVSA-N	1	0	274.383	4.100	50	30		CIEARO
CN(C)c1ccc(/C=[NH+]/C23CC4CC(CC(C4)C2)C3)cc1	ZINC000018099106	570283325	/nfs/dbraw/zinc/28/33/25/570283325.db2.gz	PXSHBCNEBGRJPO-DEDYPNTBSA-N	1	0	282.431	4.140	50	30		CIEARO
C=CCc1cc(Cl)ccc1OCCC[NH2+][C@H](C)CC	ZINC000002823337	570310882	/nfs/dbraw/zinc/31/08/82/570310882.db2.gz	RDCDECHOIHHUNU-CYBMUJFWSA-N	1	0	281.827	4.226	50	30		CIEARO
C[C@@H]1/C(=N/O)C[C@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1	ZINC000013468112	570317344	/nfs/dbraw/zinc/31/73/44/570317344.db2.gz	WRZFUOOSXMQGBT-ANNAOJKHSA-N	1	0	294.398	4.271	50	30		CIEARO
CCc1cc[n+](Cc2ccc(-c3ccccc3C#N)cc2)cc1	ZINC000079047006	570396201	/nfs/dbraw/zinc/39/62/01/570396201.db2.gz	KBDIINDZYXAQAC-UHFFFAOYSA-N	1	0	299.397	4.123	50	30		CIEARO
C=C1C[C@@]2(CC)CCC[N@@H+]3CC[C@H]4c5ccccc5N1[C@H]4[C@H]32	ZINC000936069035	613417628	/nfs/dbraw/zinc/41/76/28/613417628.db2.gz	NZYGLFJBQFPUIE-OJAHFUOMSA-N	1	0	294.442	4.141	50	30		CIEARO
CC[C@@H]1/C(=N\O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000105346358	186053774	/nfs/dbraw/zinc/05/37/74/186053774.db2.gz	KELKCHCDSYUMCO-GPSAUMFZSA-N	1	0	294.398	4.319	50	30		CIEARO
C=CCOc1ccc2ccccc2c1C[NH2+]C(C)(C)C	ZINC000004670815	169996474	/nfs/dbraw/zinc/99/64/74/169996474.db2.gz	NEYCNEBXDBCTKK-UHFFFAOYSA-N	1	0	269.388	4.293	50	30		CIEARO
C=CCOc1ccc(C[NH2+]Cc2ccccc2Cl)cc1	ZINC000006312991	170190258	/nfs/dbraw/zinc/19/02/58/170190258.db2.gz	MGLYRORJPSFFRE-UHFFFAOYSA-N	1	0	287.790	4.195	50	30		CIEARO
C=CC[N+](C)(C)C/C(Cl)=C(\Cl)c1ccccc1	ZINC000013110946	170531920	/nfs/dbraw/zinc/53/19/20/170531920.db2.gz	PRPSYHRWRTXWGT-BUHFOSPRSA-N	1	0	271.211	4.095	50	30		CIEARO
C=CC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1	ZINC000006855927	518955059	/nfs/dbraw/zinc/95/50/59/518955059.db2.gz	NQOUJBYYPVWJKA-UHFFFAOYSA-N	1	0	287.790	4.195	50	30		CIEARO
CC(C)CCC[C@@H](C)CCOC(=O)C[N+]1(C)CCCCC1	ZINC000004184379	527705130	/nfs/dbraw/zinc/70/51/30/527705130.db2.gz	FESWBDCXEBOLRE-QGZVFWFLSA-N	1	0	298.491	4.013	50	30		CIEARO
CC(C)(C)[N@H+](CC#Cc1ccccc1)Cc1ccccc1	ZINC000063393877	566842120	/nfs/dbraw/zinc/84/21/20/566842120.db2.gz	AQXCKTACNWGALM-UHFFFAOYSA-N	1	0	277.411	4.339	50	30		CIEARO
C=CCN(Cc1ccc(F)cc1)Cc1ccc(C(C)=O)cc1	ZINC000055393633	566869848	/nfs/dbraw/zinc/86/98/48/566869848.db2.gz	IIAIYVYICNVARW-UHFFFAOYSA-N	1	0	297.373	4.217	50	30		CIEARO
C=CC[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1	ZINC000058378187	566874400	/nfs/dbraw/zinc/87/44/00/566874400.db2.gz	RUSZNMHTAYVDIR-UHFFFAOYSA-N	1	0	292.835	4.315	50	30		CIEARO
C=CC[NH2+]CCCCOc1c(C)cc(Cl)cc1Cl	ZINC000004568379	566888888	/nfs/dbraw/zinc/88/88/88/566888888.db2.gz	XRMWWUHKLZXABS-UHFFFAOYSA-N	1	0	288.218	4.236	50	30		CIEARO
C=CCC[C@@H](O)C[N@@H+](CCC(C)C)Cc1cccc(C)c1	ZINC000036100753	566994697	/nfs/dbraw/zinc/99/46/97/566994697.db2.gz	SXMONLQDEXHSQY-LJQANCHMSA-N	1	0	289.463	4.170	50	30		CIEARO
O=C(C[n+]1cc2ccccc2c2ccccc21)c1ccccc1	ZINC000001564601	567837906	/nfs/dbraw/zinc/83/79/06/567837906.db2.gz	UWIOKYAIGKSWAX-UHFFFAOYSA-N	1	0	298.365	4.163	50	30		CIEARO
C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1Cl	ZINC000011038129	567883961	/nfs/dbraw/zinc/88/39/61/567883961.db2.gz	HRSPGNSLLXGHPC-GFCCVEGCSA-N	1	0	270.763	4.062	50	30		CIEARO
Cc1cccc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)c1	ZINC000082138136	567906951	/nfs/dbraw/zinc/90/69/51/567906951.db2.gz	SORZBGVKXOEHNN-UHFFFAOYSA-N	1	0	294.398	4.031	50	30		CIEARO
CCCCCCCC[NH2+][C@@H](C)C[S@](=O)c1ccccc1	ZINC000102265277	567915308	/nfs/dbraw/zinc/91/53/08/567915308.db2.gz	USSPSSOSDYIKMG-OXJNMPFZSA-N	1	0	295.492	4.133	50	30		CIEARO
C[NH+]=C(Nc1ccc(F)cc1)c1cccc(C(F)(F)F)c1	ZINC000049772136	567946833	/nfs/dbraw/zinc/94/68/33/567946833.db2.gz	MHJYVJCYXZIEKA-UHFFFAOYSA-N	1	0	296.267	4.142	50	30		CIEARO
C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000032754437	570221824	/nfs/dbraw/zinc/22/18/24/570221824.db2.gz	CTHAHTAEROWAJX-CQSZACIVSA-N	1	0	290.366	4.497	50	30		CIEARO
C[C@@H]1/C(=N\O)C[C@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1	ZINC000138295073	570271314	/nfs/dbraw/zinc/27/13/14/570271314.db2.gz	WRZFUOOSXMQGBT-ZKQJGLAUSA-N	1	0	294.398	4.271	50	30		CIEARO
C=CC[C@@](C)([NH2+]Cc1ccccc1)c1ccccc1	ZINC000001187546	570325110	/nfs/dbraw/zinc/32/51/10/570325110.db2.gz	RYFWJRLOQFKDHD-GOSISDBHSA-N	1	0	251.373	4.268	50	30		CIEARO
C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCc2ccccc21	ZINC000015261607	570328191	/nfs/dbraw/zinc/32/81/91/570328191.db2.gz	SOYXYRYXPBPZPB-LJQANCHMSA-N	1	0	276.383	4.068	50	30		CIEARO
C[C@@H](c1ccccc1Cl)[N@H+](C)CCC(C)(C)C#N	ZINC000087595563	570338048	/nfs/dbraw/zinc/33/80/48/570338048.db2.gz	CBCKDVSUZHBBIU-LBPRGKRZSA-N	1	0	264.800	4.273	50	30		CIEARO