smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2ccccc2c[n+]1[C@@H]1CCc2ccccc2C1=O	ZINC000004777665	170015655	/nfs/dbraw/zinc/01/56/55/170015655.db2.gz	WBWFEDZZMRRJRH-LJQANCHMSA-N	1	0	288.370	3.806	40	30		CHEBRO
Cc1cccc[n+]1[C@H]1CCc2c3ccccc3ccc2C1=O	ZINC000005734395	170135238	/nfs/dbraw/zinc/13/52/38/170135238.db2.gz	DGIZFBOOZDRTBH-IBGZPJMESA-N	1	0	288.370	3.806	40	30		CHEBRO
CC(C)c1ccc(/C=C\C(=O)[C@H](C)C[NH+](C)C)cc1	ZINC000005759132	170138003	/nfs/dbraw/zinc/13/80/03/170138003.db2.gz	HHSNYYOFPQILIZ-KOTGUFOOSA-N	1	0	259.393	3.590	40	30		CHEBRO
O/N=C1\CCC=CCC[C@@H]1[N@@H+]1CC[C@H]2CCCC[C@H]2C1	ZINC000257345381	327137442	/nfs/dbraw/zinc/13/74/42/327137442.db2.gz	UJVSNQMAKPILBN-AYHCIUFTSA-N	1	0	276.424	3.828	40	30		CHEBRO
CCCCCCC[NH2+]Cc1cnn(CC(C)C)c1	ZINC000256053923	520057594	/nfs/dbraw/zinc/05/75/94/520057594.db2.gz	UELXINJPEVWRNE-UHFFFAOYSA-N	1	0	251.418	3.599	40	30		CHEBRO
CCCCCCC[NH2+]C1CC(C)(C)CC(=O)C1=O	ZINC000101461204	528134283	/nfs/dbraw/zinc/13/42/83/528134283.db2.gz	JEIMIEWSZWMUJT-UHFFFAOYSA-N	1	0	253.386	3.705	40	30		CHEBRO
CCCCCCC[NH2+]Cc1ccnn1CC(C)C	ZINC000256053672	570351790	/nfs/dbraw/zinc/35/17/90/570351790.db2.gz	SIRGNUORDYRNDL-UHFFFAOYSA-N	1	0	251.418	3.599	40	30		CHEBRO
CC(C)[NH2+][C@]12CCC[C@H](C1)C1=C(CC(C)(C)CC1=O)O2	ZINC000004267917	567856467	/nfs/dbraw/zinc/85/64/67/567856467.db2.gz	BSUYEAGGBWCTHF-PXAZEXFGSA-N	1	0	277.408	3.544	40	30		CHEBRO
C[N+](=O)Cc1ccc2cccc(OCc3ccccc3)c2c1	ZINC000016739526	567873800	/nfs/dbraw/zinc/87/38/00/567873800.db2.gz	NAZPXKPADAMGSR-MOSHPQCFSA-N	1	0	291.350	3.978	40	30		CHEBRO
O=C1CCCCC1=NNc1ccc(C[NH+]2CCCCC2)cc1	ZINC000000296439	567929304	/nfs/dbraw/zinc/92/93/04/567929304.db2.gz	GILTUMCHNNFUPK-LVZFUZTISA-N	1	0	299.418	3.584	40	30		CHEBRO
C=CCn1cc(/C=C/c2cccc[n+]2C)c2ccccc21	ZINC000004932990	567932895	/nfs/dbraw/zinc/93/28/95/567932895.db2.gz	DAMLAIKXYXHRHX-UHFFFAOYSA-N	1	0	275.375	3.822	40	30		CHEBRO
CCCCCCCCCCCC(=O)NCCCC[NH3+]	ZINC000104954693	186034044	/nfs/dbraw/zinc/03/40/44/186034044.db2.gz	FHGFVQRMUINMEN-UHFFFAOYSA-N	1	0	270.461	3.762	40	30		CHEBRO
C=CCn1cc(/C=C/c2cc[n+](C)cc2)c2ccccc21	ZINC000004932899	184532457	/nfs/dbraw/zinc/53/24/57/184532457.db2.gz	AICFBWLLSMXZIV-UHFFFAOYSA-N	1	0	275.375	3.822	40	30		CHEBRO
C[N+](C)(CC#Cc1ccccc1)C/C=C\c1ccccc1	ZINC000005008235	170054669	/nfs/dbraw/zinc/05/46/69/170054669.db2.gz	DBOPZWINWPIMON-DHDCSXOGSA-N	1	0	276.403	3.828	40	30		CHEBRO
C=CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCC	ZINC000008253414	170327252	/nfs/dbraw/zinc/32/72/52/170327252.db2.gz	OJXWONQYIXQSFJ-UHFFFAOYSA-N	1	0	260.164	3.668	40	30		CHEBRO
CCCCCC/C=C1/CC[C@H](C[NH+]2CCCC2)C1=O	ZINC000001626157	260005941	/nfs/dbraw/zinc/00/59/41/260005941.db2.gz	CJEGUCXDUFJFJJ-QOBZYLRHSA-N	1	0	263.425	3.958	40	30		CHEBRO
CCCCCCC[NH2+]Cc1ccnn1[C@H](C)CC	ZINC000256050041	570351768	/nfs/dbraw/zinc/35/17/68/570351768.db2.gz	CKLURRDUZXYRQC-CQSZACIVSA-N	1	0	251.418	3.914	40	30		CHEBRO
CCOC(=O)c1ccccc1N(C)/C=[NH+]/c1ccccc1	ZINC000084400812	566883264	/nfs/dbraw/zinc/88/32/64/566883264.db2.gz	AKSKUKPGUUXVGG-QGOAFFKASA-N	1	0	282.343	3.660	40	30		CHEBRO
CSc1ccc(C(=O)C[n+]2cccc3ccccc32)cc1	ZINC000001667438	567840831	/nfs/dbraw/zinc/84/08/31/567840831.db2.gz	ULHOQIFBRJGIKJ-UHFFFAOYSA-N	1	0	294.399	3.732	40	30		CHEBRO
CS/C(N(C)c1ccccc1)=[N+](\C)c1ccccc1	ZINC000001704576	567842250	/nfs/dbraw/zinc/84/22/50/567842250.db2.gz	NZNNMOGUTIXLCC-UHFFFAOYSA-N	1	0	271.409	3.816	40	30		CHEBRO
O/N=C1\CCC=CCC[C@H]1[N@@H+]1CC[C@@H]2CCCC[C@H]2C1	ZINC000035193699	567856779	/nfs/dbraw/zinc/85/67/79/567856779.db2.gz	UJVSNQMAKPILBN-LHEABVBXSA-N	1	0	276.424	3.828	40	30		CHEBRO
CCCCCCC[NH2+]Cc1cc(OC)c(OC)c(OC)c1	ZINC000101759738	567937565	/nfs/dbraw/zinc/93/75/65/567937565.db2.gz	OYQSVFJZIJDUON-UHFFFAOYSA-N	1	0	295.423	3.772	40	30		CHEBRO
C=CCOc1ccc(C[NH2+]CCc2ccccc2F)cc1	ZINC000019231597	567944797	/nfs/dbraw/zinc/94/47/97/567944797.db2.gz	BLOYYZZRFXNOJO-UHFFFAOYSA-N	1	0	285.362	3.723	40	30		CHEBRO
C=CCOc1c(Cl)cc(C[NH2+]CC(C)C)cc1OC	ZINC000006375939	170195825	/nfs/dbraw/zinc/19/58/25/170195825.db2.gz	OZYCMSMOXWYFLD-UHFFFAOYSA-N	1	0	283.799	3.659	40	30		CHEBRO
C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+]([C@H]1/C(=N/O)[C@H]3CC[C@@H]1C3)C2	ZINC000016578056	262047063	/nfs/dbraw/zinc/04/70/63/262047063.db2.gz	HFOLWPKRSIHQKV-SPYDYNQVSA-N	1	0	276.424	3.516	40	30		CHEBRO
CCCCCCCCNC(=S)NCC[NH+]1CCCCC1	ZINC000017413970	519971879	/nfs/dbraw/zinc/97/18/79/519971879.db2.gz	ZKUBYEOCFYGKNL-UHFFFAOYSA-N	1	0	299.528	3.708	40	30		CHEBRO
CC[NH+](CC)C(C)(C)C(=O)/C=C/c1ccc(C)cc1	ZINC000001607744	567839235	/nfs/dbraw/zinc/83/92/35/567839235.db2.gz	JFSIYPAYJMPDDN-OUKQBFOZSA-N	1	0	259.393	3.698	40	30		CHEBRO
Cc1cccc[n+]1[C@@H]1CCc2c3ccccc3ccc2C1=O	ZINC000001598324	567838926	/nfs/dbraw/zinc/83/89/26/567838926.db2.gz	DGIZFBOOZDRTBH-LJQANCHMSA-N	1	0	288.370	3.806	40	30		CHEBRO
C[C@@H](C[NH+](C)C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1	ZINC000001590715	567838985	/nfs/dbraw/zinc/83/89/85/567838985.db2.gz	BLEGJHCRFBVFAC-STUBTGCMSA-N	1	0	286.202	3.773	40	30		CHEBRO
CCCC[C@@H](C[NH+](C)C)C(=O)/C=C/c1ccccc1	ZINC000001609886	567839217	/nfs/dbraw/zinc/83/92/17/567839217.db2.gz	PXNAVICRUUPTME-DBTPVHCXSA-N	1	0	259.393	3.637	40	30		CHEBRO
C[C@@H](C[NH+](C)C)C(=NNc1ccccc1)c1ccccc1	ZINC000016953407	567874193	/nfs/dbraw/zinc/87/41/93/567874193.db2.gz	RMPPQJZJKQZJHT-ZJYNUGOYSA-N	1	0	281.403	3.701	40	30		CHEBRO
CC[NH+](CC)C[C@@H](C)C(=O)/C=C\c1ccc(C)cc1	ZINC000017176626	567875322	/nfs/dbraw/zinc/87/53/22/567875322.db2.gz	QMNMATWYJRKCMF-QYMJWVLRSA-N	1	0	259.393	3.555	40	30		CHEBRO
FC(F)(F)c1ccc2[nH+]ccc(NCCS)c2c1	ZINC000036533617	567889437	/nfs/dbraw/zinc/88/94/37/567889437.db2.gz	UPMYNDOHXUCSEI-UHFFFAOYSA-N	1	0	272.295	3.595	40	30		CHEBRO
CC[NH+](CC)CC[C@@](Br)(C#N)c1ccccc1	ZINC000006382367	170196704	/nfs/dbraw/zinc/19/67/04/170196704.db2.gz	RVTLYOXZNZCUNW-CQSZACIVSA-N	1	0	295.224	3.532	40	30		CHEBRO
C[NH+](C)CC[C@](C#N)(c1ccccc1)C1CCCCC1	ZINC000006437089	170201479	/nfs/dbraw/zinc/20/14/79/170201479.db2.gz	AUGUQGGQAICRTG-SFHVURJKSA-N	1	0	270.420	3.980	40	30		CHEBRO
C=CCOc1c(Cl)cc(C[NH2+][C@H](C)CC)cc1OC	ZINC000006540811	170211834	/nfs/dbraw/zinc/21/18/34/170211834.db2.gz	WQKFQVKGXWDKGI-LLVKDONJSA-N	1	0	283.799	3.802	40	30		CHEBRO
C=CCOc1ccc(C[NH2+][C@H](C)CC)cc1OCC	ZINC000008325981	170331248	/nfs/dbraw/zinc/33/12/48/170331248.db2.gz	QAVIAMMDAKSLGU-CYBMUJFWSA-N	1	0	263.381	3.538	40	30		CHEBRO
CCCCCC/C=C1\CC[C@H](C[NH+]2CCCC2)C1=O	ZINC000001626156	260005930	/nfs/dbraw/zinc/00/59/30/260005930.db2.gz	CJEGUCXDUFJFJJ-HTRKUNOGSA-N	1	0	263.425	3.958	40	30		CHEBRO
CCCCCCC[NH2+]Cc1cccc(OC)c1OC	ZINC000100126184	567912231	/nfs/dbraw/zinc/91/22/31/567912231.db2.gz	XWQHVBZAAJKCRH-UHFFFAOYSA-N	1	0	265.397	3.764	40	30		CHEBRO
CCCCCCCCCc1ccc(OC[C@@H](O)C[NH3+])cc1	ZINC000100237623	567926359	/nfs/dbraw/zinc/92/63/59/567926359.db2.gz	MSADXXGVYKCZPU-KRWDZBQOSA-N	1	0	293.451	3.678	40	30		CHEBRO
C=CC[NH2+]Cc1ccc(OCc2ccccc2)c(OCC)c1	ZINC000008254619	567938705	/nfs/dbraw/zinc/93/87/05/567938705.db2.gz	QGSGJKZHULXHCM-UHFFFAOYSA-N	1	0	297.398	3.940	40	30		CHEBRO
CN(C)c1ccc(/C=[NH+]/NCc2ccccc2Cl)cc1	ZINC000008811503	567938944	/nfs/dbraw/zinc/93/89/44/567938944.db2.gz	DKLIHVQKAVXEIW-WOJGMQOQSA-N	1	0	287.794	3.530	40	30		CHEBRO
C#CC1(O)C[C@@H](c2ccccc2)[NH+](C)[C@H](c2ccccc2)C1	ZINC000073242967	566865079	/nfs/dbraw/zinc/86/50/79/566865079.db2.gz	PWVICUJDTDASAC-OALUTQOASA-N	1	0	291.394	3.559	40	30		CHEBRO
CCCCCCCCCCCCC[NH+](CCO)CCO	ZINC000100077080	566925910	/nfs/dbraw/zinc/92/59/10/566925910.db2.gz	PGNNMVAZUOZRSM-UHFFFAOYSA-N	1	0	287.488	3.584	40	30		CHEBRO
CC(C)c1ccc(/C=C/C(=O)[C@H](C)C[NH+](C)C)cc1	ZINC000001607917	567839425	/nfs/dbraw/zinc/83/94/25/567839425.db2.gz	HHSNYYOFPQILIZ-BMGYJQCNSA-N	1	0	259.393	3.590	40	30		CHEBRO
CCCCCC/C=C1\CC[C@@H](C[NH+]2CCCC2)C1=O	ZINC000001626154	567839671	/nfs/dbraw/zinc/83/96/71/567839671.db2.gz	CJEGUCXDUFJFJJ-LRQZKABGSA-N	1	0	263.425	3.958	40	30		CHEBRO
O=C1/C(=C/c2ccc(O)cc2)CCC[C@H]1C[NH+]1CCCCC1	ZINC000001650736	567839924	/nfs/dbraw/zinc/83/99/24/567839924.db2.gz	VQLDGNPJEQIDME-MAUBAPBLSA-N	1	0	299.414	3.631	40	30		CHEBRO
CCN(CC)c1ccc(/C=[NH+]/N2CCCCCC2)cc1	ZINC000001730489	567842810	/nfs/dbraw/zinc/84/28/10/567842810.db2.gz	DBJDUPSNGKBPPH-OBGWFSINSA-N	1	0	273.424	3.743	40	30		CHEBRO
CC[N+](CC)(CC)CC(=O)c1ccc(Br)cc1	ZINC000001735756	567842879	/nfs/dbraw/zinc/84/28/79/567842879.db2.gz	AKOKUFCEWMTCET-UHFFFAOYSA-N	1	0	299.232	3.508	40	30		CHEBRO
C[NH+](C)C[C@@H]1CCC/C(=C/c2ccc(Cl)cc2)C1=O	ZINC000001855927	567843803	/nfs/dbraw/zinc/84/38/03/567843803.db2.gz	FJZAXHOHOIQEFL-ZVHGMHCTSA-N	1	0	277.795	3.654	40	30		CHEBRO
O=C(C[n+]1c(Cl)ccc2ccccc21)c1ccccc1	ZINC000001870593	567843822	/nfs/dbraw/zinc/84/38/22/567843822.db2.gz	DIVMTMQEABSNBP-UHFFFAOYSA-N	1	0	282.750	3.664	40	30		CHEBRO
CCCCCCCCCCCC/C=C/[C@H](O)[C@@H]([NH3+])CO	ZINC000064858887	567898232	/nfs/dbraw/zinc/89/82/32/567898232.db2.gz	RBEJCQPPFCKTRZ-GAEQQSHZSA-N	1	0	285.472	3.534	40	30	in-vitro	CHEBRO
CCCCCCCCCCCCN1CC[NH2+]CC1	ZINC000077952748	567905911	/nfs/dbraw/zinc/90/59/11/567905911.db2.gz	IVMJRWXDWPCKHS-UHFFFAOYSA-N	1	0	254.462	3.813	40	30		CHEBRO
COc1ccc(C/[NH+]=C\c2ccc(N3CCCC3)o2)cc1	ZINC000408846828	567933006	/nfs/dbraw/zinc/93/30/06/567933006.db2.gz	SIJSWHNCKKWHJC-AQTBWJFISA-N	1	0	284.359	3.508	40	30		CHEBRO
C[C@]12C[C@H](CC(C)(C)C1)[N@@H+]([C@H]1/C(=N/O)[C@H]3CC[C@@H]1C3)C2	ZINC000016578059	567944354	/nfs/dbraw/zinc/94/43/54/567944354.db2.gz	HFOLWPKRSIHQKV-CKTZKIPNSA-N	1	0	276.424	3.516	40	30		CHEBRO
C=C(C)C[C@H]1CC=C(Br)[C@@H](CC(=C)C)[NH2+]1	ZINC000058824007	567956118	/nfs/dbraw/zinc/95/61/18/567956118.db2.gz	UDDMDHHEBSHOCE-DGCLKSJQSA-N	1	0	270.214	3.928	40	30		CHEBRO
Cc1nc(C)n([C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)c1-c1ccccc1	ZINC000005401459	230369552	/nfs/dbraw/zinc/36/95/52/230369552.db2.gz	LIPPNBQYWXZNKB-JKJDEIEHSA-N	1	0	295.386	3.968	40	30		CHEBRO
CC[NH+](CC)C[C@H](C)C(=O)/C=C/c1ccc(C)cc1	ZINC000001613987	169725623	/nfs/dbraw/zinc/72/56/23/169725623.db2.gz	QMNMATWYJRKCMF-RUMSDORHSA-N	1	0	259.393	3.555	40	30		CHEBRO
CC(C)c1ccc(/C=C\C(=O)[C@@H](C)C[NH+](C)C)cc1	ZINC000005759131	170138090	/nfs/dbraw/zinc/13/80/90/170138090.db2.gz	HHSNYYOFPQILIZ-MSKHEQNASA-N	1	0	259.393	3.590	40	30		CHEBRO
CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1c(C)ccc(O)c1C	ZINC000038683574	174152025	/nfs/dbraw/zinc/15/20/25/174152025.db2.gz	IXOVDWXTIIYVOJ-CQSZACIVSA-N	1	0	290.407	3.862	40	30	world	CHEBRO
CCCCC[C@H](C[NH+](C)C)C(=O)/C=C\c1ccc(O)cc1	ZINC000017063468	528270847	/nfs/dbraw/zinc/27/08/47/528270847.db2.gz	LHEPYVCSJWUBFY-IVOILVROSA-N	1	0	289.419	3.733	40	30		CHEBRO
CCCCCCCCCCCN1CC[NH2+]C[C@@H]1C	ZINC000100413381	566878284	/nfs/dbraw/zinc/87/82/84/566878284.db2.gz	QIYFNYADZQKBQX-INIZCTEOSA-N	1	0	254.462	3.811	40	30		CHEBRO
CC[NH+](CC)CC(C)(C)C(=O)/C=C/c1ccc(C)cc1	ZINC000001592431	567839074	/nfs/dbraw/zinc/83/90/74/567839074.db2.gz	MZOXFMTXDJWLNP-OUKQBFOZSA-N	1	0	273.420	3.945	40	30		CHEBRO
C[C@@H](C[NH+](C)C)C(=O)/C=C/c1c(Cl)cccc1Cl	ZINC000001610075	567839209	/nfs/dbraw/zinc/83/92/09/567839209.db2.gz	SNAZOQWTRMLCHO-JARNTUPDSA-N	1	0	286.202	3.773	40	30		CHEBRO
Cc1cc2ccccc2c[n+]1CC(=O)c1ccc(Cl)cc1	ZINC000001665268	567840815	/nfs/dbraw/zinc/84/08/15/567840815.db2.gz	JTBAOEAJZPISAH-UHFFFAOYSA-N	1	0	296.777	3.972	40	30		CHEBRO
C[NH+](C)C[C@@H]1CCC/C(=C\c2ccc(Cl)cc2)C1=O	ZINC000017255031	567875225	/nfs/dbraw/zinc/87/52/25/567875225.db2.gz	FJZAXHOHOIQEFL-UELRPHRMSA-N	1	0	277.795	3.654	40	30		CHEBRO
C=C(C)/C(NC(C)(C)C)=[NH+]\c1ccc(C(=O)OCC)cc1	ZINC000018067916	567876541	/nfs/dbraw/zinc/87/65/41/567876541.db2.gz	GBUGPEZTKAWKLE-UHFFFAOYSA-N	1	0	288.391	3.858	40	30		CHEBRO
C=CC[N+]1(C)C[C@H](C)C(N=Nc2ccccc2)C[C@@H]1C	ZINC000001279954	567931879	/nfs/dbraw/zinc/93/18/79/567931879.db2.gz	GPOJJAKGYOUCID-KEKRRCIVSA-N	1	0	272.416	3.515	40	30		CHEBRO
CCCCCCC[NH2+]Cc1ccc(OC)cc1OC	ZINC000102565699	185781271	/nfs/dbraw/zinc/78/12/71/185781271.db2.gz	NDUCFHJAUDLNRG-UHFFFAOYSA-N	1	0	265.397	3.764	40	30		CHEBRO
C[N+](=NC=C1N(C)c2ccccc2C1(C)C)c1ccccc1	ZINC000005765979	170138555	/nfs/dbraw/zinc/13/85/55/170138555.db2.gz	HCYCIVNMRGYTPR-UHFFFAOYSA-N	1	0	292.406	3.815	40	30		CHEBRO
C(=[NH+]/OCc1ccccc1)\c1ccc(N2CCCC2)cc1	ZINC000009265453	170369519	/nfs/dbraw/zinc/36/95/19/170369519.db2.gz	UDFMBIRJNGCMTC-XMHGGMMESA-N	1	0	280.371	3.838	40	30		CHEBRO
C=CC[N+]1(CC=C)CCC(c2ccccc2OC)CC1	ZINC000045221416	175329879	/nfs/dbraw/zinc/32/98/79/175329879.db2.gz	HRIDAPFKAKGIAE-UHFFFAOYSA-N	1	0	272.412	3.761	40	30		CHEBRO
CCCCCCC[NH2+]Cc1cnn(C(C)C)c1C	ZINC000256051687	520057376	/nfs/dbraw/zinc/05/73/76/520057376.db2.gz	KDXPJVHIJACKPY-UHFFFAOYSA-N	1	0	251.418	3.832	40	30		CHEBRO
CCOCCC(Nc1ccccc1C)=[NH+]C(C)(C)C	ZINC000005499839	521672080	/nfs/dbraw/zinc/67/20/80/521672080.db2.gz	DTULWWLOWOUSFK-UHFFFAOYSA-N	1	0	262.397	3.840	40	30		CHEBRO
O=C1CCCC2=C1[C@@H]1CCC[C@@]([NH2+]Cc3ccccc3)(C1)O2	ZINC000068564690	526968124	/nfs/dbraw/zinc/96/81/24/526968124.db2.gz	DROFMUVYDHRJJH-BEFAXECRSA-N	1	0	297.398	3.700	40	30		CHEBRO
C=CC[C@@]1(Nc2ccccc2)C[C@H](C)[N@@H+](C)C[C@H]1C	ZINC000004956261	566888529	/nfs/dbraw/zinc/88/85/29/566888529.db2.gz	VNEVZWHHGRSVRH-HLLBOEOZSA-N	1	0	258.409	3.774	40	30		CHEBRO
C#CC[N+](C)(C)C/C(Cl)=C(/Cl)c1ccccc1	ZINC000003205192	567163342	/nfs/dbraw/zinc/16/33/42/567163342.db2.gz	QJPPTBPIYMPIET-YPKPFQOOSA-N	1	0	269.195	3.542	40	30		CHEBRO
CCCC[N+](CCCC)(CCCC)CC(=O)OCC	ZINC000004428362	567857353	/nfs/dbraw/zinc/85/73/53/567857353.db2.gz	YKONGCDSRSGUSY-UHFFFAOYSA-N	1	0	272.453	3.767	40	30		CHEBRO
CCCC[C@H](C[NH+](C)C)C(=O)/C=C\c1ccccc1	ZINC000017175181	567875215	/nfs/dbraw/zinc/87/52/15/567875215.db2.gz	PXNAVICRUUPTME-BFFYNSAMSA-N	1	0	259.393	3.637	40	30		CHEBRO
CCCCCCCCCCC[N+](C)(C)CCCO	ZINC000100930251	567914028	/nfs/dbraw/zinc/91/40/28/567914028.db2.gz	ZXQNINDCNXDRNE-UHFFFAOYSA-N	1	0	258.470	3.976	40	30		CHEBRO
CN(C)c1ccc([N+](=O)Cc2ccc(C(F)(F)F)o2)cc1	ZINC001286942972	1125390346	/nfs/dbraw/zinc/39/03/46/1125390346.db2.gz	VCLHDGLWIVLGDI-OCKHKDLRSA-N	1	0	298.264	3.625	40	30		CHEBRO
Cc1nc(C)n([C@@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)c1-c1ccccc1	ZINC000005401465	230369565	/nfs/dbraw/zinc/36/95/65/230369565.db2.gz	LIPPNBQYWXZNKB-OKFKAVKOSA-N	1	0	295.386	3.968	40	30		CHEBRO
O/N=C1\[C@H]([NH+]2CCC(Cc3ccccc3)CC2)[C@@H]2CC[C@H]1C2	ZINC000100971134	230392252	/nfs/dbraw/zinc/39/22/52/230392252.db2.gz	GIXGRJSQBBRWLF-QMMHUOSLSA-N	1	0	298.430	3.570	40	30		CHEBRO
C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)CC)cc1OC	ZINC000006541814	170211884	/nfs/dbraw/zinc/21/18/84/170211884.db2.gz	WQKFQVKGXWDKGI-NSHDSACASA-N	1	0	283.799	3.802	40	30		CHEBRO
C=CC[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1	ZINC000016349304	526664064	/nfs/dbraw/zinc/66/40/64/526664064.db2.gz	GNODOEXNQXHYNF-UHFFFAOYSA-N	1	0	297.398	3.858	40	30		CHEBRO
C[N@H+](CC[C@@H](C#N)c1ccccc1)Cc1ccccc1	ZINC000001578011	567838278	/nfs/dbraw/zinc/83/82/78/567838278.db2.gz	NTBFCNMJKKSDQW-SFHVURJKSA-N	1	0	264.372	3.816	40	30		CHEBRO
C[N+](C)(C)CCCN=C=C(c1ccccc1)c1ccccc1	ZINC000001655955	567840389	/nfs/dbraw/zinc/84/03/89/567840389.db2.gz	IADHOIIMFSXXDN-UHFFFAOYSA-N	1	0	293.434	3.884	40	30		CHEBRO
C/C(=[NH+]\c1c2ccccc2nc2ccccc21)N(C)C	ZINC000018023096	567876126	/nfs/dbraw/zinc/87/61/26/567876126.db2.gz	XDBBURYSKRHHLN-LDADJPATSA-N	1	0	263.344	4.000	40	30		CHEBRO
C=C[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cc1ccnc2ccccc12	ZINC000005495159	170104505	/nfs/dbraw/zinc/10/45/05/170104505.db2.gz	UFJOYVQIDSNLHC-ZMSDIMECSA-N	1	0	278.399	3.674	40	30		CHEBRO
CCCC[C@H](C(=O)c1ccccc1)[n+]1ccccc1	ZINC000006379735	170196151	/nfs/dbraw/zinc/19/61/51/170196151.db2.gz	YFXUFCAXKZVOHN-MRXNPFEDSA-N	1	0	254.353	3.588	40	30		CHEBRO
CCCCN/C(=[NH+]\CCCC)OC1CCCCC1	ZINC000016989760	528021365	/nfs/dbraw/zinc/02/13/65/528021365.db2.gz	ZTNMYDVZISEXNA-UHFFFAOYSA-N	1	0	254.418	3.882	40	30		CHEBRO
CC(=O)c1ccc(N=C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1	ZINC000005632263	567859601	/nfs/dbraw/zinc/85/96/01/567859601.db2.gz	DYTFFQPPMUHVOQ-BQMBXONESA-N	1	0	284.403	3.856	40	30		CHEBRO
C=CCCCCCC[C@H](O)C[NH2+]Cc1ccccc1	ZINC000026897888	327937125	/nfs/dbraw/zinc/93/71/25/327937125.db2.gz	VEWDZLYJJKAWMZ-KRWDZBQOSA-N	1	0	261.409	3.664	40	30		CHEBRO
CCCCCCC[NH2+]Cc1cn(CCC)nc1C	ZINC000256050684	570351756	/nfs/dbraw/zinc/35/17/56/570351756.db2.gz	GDGCQXPFBRLLEY-UHFFFAOYSA-N	1	0	251.418	3.662	40	30		CHEBRO
CCN(CC)P(=N[N+]#N)(N(CC)CC)N(CC)CC	ZINC000004521173	567857662	/nfs/dbraw/zinc/85/76/62/567857662.db2.gz	YDBTXNWZQMNPCM-UHFFFAOYSA-N	1	0	289.388	4.000	40	30		CHEBRO
CCCCCCCCCC[NH+]1CCN(C(=O)OCC)CC1	ZINC000100312030	567912867	/nfs/dbraw/zinc/91/28/67/567912867.db2.gz	JVOVZRZWICUORT-UHFFFAOYSA-N	1	0	298.471	3.901	40	30		CHEBRO
CCCCCCC[C@@H]1[NH2+]CCc2cc(O)c(O)cc21	ZINC000100986629	567914304	/nfs/dbraw/zinc/91/43/04/567914304.db2.gz	SBEYAUFDMAKEHR-AWEZNQCLSA-N	1	0	263.381	3.645	40	30		CHEBRO
C=C(C)C[C@@H]1CC=C(Br)[C@H](CC(=C)C)[NH2+]1	ZINC000058823995	567956165	/nfs/dbraw/zinc/95/61/65/567956165.db2.gz	UDDMDHHEBSHOCE-AAEUAGOBSA-N	1	0	270.214	3.928	40	30		CHEBRO
O/N=C1\CCC=CCC[C@@H]1[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000017993387	570289563	/nfs/dbraw/zinc/28/95/63/570289563.db2.gz	UJVSNQMAKPILBN-UIDGGEMHSA-N	1	0	276.424	3.828	40	30		CHEBRO
C[C@H](C(=O)c1ccccc1)[N+](C)(C)Cc1ccccc1	ZINC000006491546	170206130	/nfs/dbraw/zinc/20/61/30/170206130.db2.gz	NFOACWATQYMQGS-OAHLLOKOSA-N	1	0	268.380	3.534	40	30		CHEBRO
CC[NH+](CC)CC[C@](Br)(C#N)c1ccccc1	ZINC000001577532	567838377	/nfs/dbraw/zinc/83/83/77/567838377.db2.gz	RVTLYOXZNZCUNW-AWEZNQCLSA-N	1	0	295.224	3.532	40	30		CHEBRO
CCCCCC/C=C1/CC[C@@H](C[NH+]2CCCC2)C1=O	ZINC000001626155	567839731	/nfs/dbraw/zinc/83/97/31/567839731.db2.gz	CJEGUCXDUFJFJJ-TYWAAFNRSA-N	1	0	263.425	3.958	40	30		CHEBRO
C[C@@H](C#N)c1ccc(N2Cc3ccccc3CC2=[NH2+])cc1	ZINC000001797767	567843385	/nfs/dbraw/zinc/84/33/85/567843385.db2.gz	IYDTXRNOBGWNAF-ZDUSSCGKSA-N	1	0	275.355	3.854	40	30		CHEBRO
C[C@@H](C[NH+](C)C)C(=O)/C=C\c1c(Cl)cccc1Cl	ZINC000017175242	567875310	/nfs/dbraw/zinc/87/53/10/567875310.db2.gz	SNAZOQWTRMLCHO-DMEOUFDRSA-N	1	0	286.202	3.773	40	30		CHEBRO
C(=[NH+]/Cc1ccccc1)\c1ccc(N2CCCC2)cc1	ZINC000408961356	567933395	/nfs/dbraw/zinc/93/33/95/567933395.db2.gz	RYCLTKRRSSITSA-XDJHFCHBSA-N	1	0	264.372	3.906	40	30		CHEBRO
C/[NH+]=C(/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N(C)C	ZINC000005379811	170091739	/nfs/dbraw/zinc/09/17/39/170091739.db2.gz	LFICRLFDGQSBDF-MNDPQUGUSA-N	1	0	290.451	3.925	40	30		CHEBRO
C=CCOc1ccc(C[NH2+]CCCCCC)cc1OC	ZINC000007261005	170273898	/nfs/dbraw/zinc/27/38/98/170273898.db2.gz	DLBNXPMVPSTCLR-UHFFFAOYSA-N	1	0	277.408	3.930	40	30		CHEBRO
CCCCCCC[NH2+]Cc1cnn(CC(F)(F)F)c1	ZINC000256050922	520057719	/nfs/dbraw/zinc/05/77/19/520057719.db2.gz	HAEDUFXCXKOKCL-UHFFFAOYSA-N	1	0	277.334	3.505	40	30		CHEBRO
CCCCCCCC[C@H](CO)[NH2+]CCc1ccccc1	ZINC000104360635	567916724	/nfs/dbraw/zinc/91/67/24/567916724.db2.gz	JZDGZGZNMCQPLD-GOSISDBHSA-N	1	0	277.452	3.930	40	30		CHEBRO
CCCCCCC[NH2+]Cc1cnn(CC(F)F)c1C	ZINC000256051140	570351753	/nfs/dbraw/zinc/35/17/53/570351753.db2.gz	HXCQBDWEZBITEO-UHFFFAOYSA-N	1	0	273.371	3.517	40	30		CHEBRO
CCCCCCC[NH2+]Cc1ccnn1[C@@H](C)CC	ZINC000256050040	570351773	/nfs/dbraw/zinc/35/17/73/570351773.db2.gz	CKLURRDUZXYRQC-AWEZNQCLSA-N	1	0	251.418	3.914	40	30		CHEBRO
C[C@H](C[NH+](C)C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1	ZINC000001590717	567838877	/nfs/dbraw/zinc/83/88/77/567838877.db2.gz	BLEGJHCRFBVFAC-BREXMAIKSA-N	1	0	286.202	3.773	40	30		CHEBRO
C[C@H](C[NH+](C)C)C(=O)/C=C/c1c(Cl)cccc1Cl	ZINC000001610077	567839366	/nfs/dbraw/zinc/83/93/66/567839366.db2.gz	SNAZOQWTRMLCHO-QROSGCPLSA-N	1	0	286.202	3.773	40	30		CHEBRO
CSc1ccc(C(=O)C[n+]2ccc3ccccc3c2)cc1	ZINC000001668764	567840790	/nfs/dbraw/zinc/84/07/90/567840790.db2.gz	PRZMKWAROUCDCY-UHFFFAOYSA-N	1	0	294.399	3.732	40	30		CHEBRO
C[C@H](C[NH+](C)C)C(=O)/C=C\c1c(Cl)cccc1Cl	ZINC000017175243	567875409	/nfs/dbraw/zinc/87/54/09/567875409.db2.gz	SNAZOQWTRMLCHO-GQYWMQPJSA-N	1	0	286.202	3.773	40	30		CHEBRO
C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccccc1	ZINC000026897891	1121090281	/nfs/dbraw/zinc/09/02/81/1121090281.db2.gz	VEWDZLYJJKAWMZ-QGZVFWFLSA-N	1	0	261.409	3.664	40	30		CHEBRO
CS/C(NCc1ccccc1)=[NH+]\Cc1ccccc1	ZINC000005515280	260018407	/nfs/dbraw/zinc/01/84/07/260018407.db2.gz	FNOSYEMGBYKGBY-UHFFFAOYSA-N	1	0	270.401	3.695	40	30		CHEBRO
CC[NH+](CC)CC(C)(C)C(=O)/C=C/c1ccccc1	ZINC000001607748	567839379	/nfs/dbraw/zinc/83/93/79/567839379.db2.gz	LUJNEZVNTVCHEC-OUKQBFOZSA-N	1	0	259.393	3.637	40	30		CHEBRO
C=CCOc1ccc(C[NH2+]CCc2ccccc2)cc1	ZINC000006312987	170190117	/nfs/dbraw/zinc/19/01/17/170190117.db2.gz	CELNQHVJUXVBBW-UHFFFAOYSA-N	1	0	267.372	3.584	40	30		CHEBRO
O=C1/C(=C\c2ccccc2)CCC[C@H]1C[NH+]1CCCCC1	ZINC000000173504	567821459	/nfs/dbraw/zinc/82/14/59/567821459.db2.gz	XFSQEKDTPJNBEF-DNKLCNGGSA-N	1	0	283.415	3.925	40	30		CHEBRO
C[NH+](C)CC[C@@](C#N)(c1ccccc1)C1CCCCC1	ZINC000001675319	567841103	/nfs/dbraw/zinc/84/11/03/567841103.db2.gz	AUGUQGGQAICRTG-GOSISDBHSA-N	1	0	270.420	3.980	40	30		CHEBRO
CCCCCCCC[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1	ZINC000001731649	567842767	/nfs/dbraw/zinc/84/27/67/567842767.db2.gz	NHEVZFMLIVBNSM-HNNXBMFYSA-N	1	0	284.444	3.510	40	30		CHEBRO
CCCC[C@@H](C[NH+](C)C)C(=O)/C=C\c1ccccc1	ZINC000017175180	567875256	/nfs/dbraw/zinc/87/52/56/567875256.db2.gz	PXNAVICRUUPTME-AHKFDXCISA-N	1	0	259.393	3.637	40	30		CHEBRO
CC[NH+](CC)CC#CC[C@](O)(c1ccccc1)C(C)(C)C	ZINC000096194466	567892750	/nfs/dbraw/zinc/89/27/50/567892750.db2.gz	GITYNLRQGASHPU-IBGZPJMESA-N	1	0	287.447	3.656	40	30		CHEBRO
CCCCCCCCC[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1	ZINC000104155332	567916157	/nfs/dbraw/zinc/91/61/57/567916157.db2.gz	ZNCYJFRQUZFOMH-INIZCTEOSA-N	1	0	298.471	3.900	40	30		CHEBRO
CCCCCCCCCc1ccc(OC[C@H](O)C[NH3+])cc1	ZINC000100237619	567926561	/nfs/dbraw/zinc/92/65/61/567926561.db2.gz	MSADXXGVYKCZPU-QGZVFWFLSA-N	1	0	293.451	3.678	40	30		CHEBRO
CN(C)c1ccc(/C=[NH+]/NCc2ccc(Cl)cc2)cc1	ZINC000010118839	567940049	/nfs/dbraw/zinc/94/00/49/567940049.db2.gz	WHULSPPODRPYJA-XDHOZWIPSA-N	1	0	287.794	3.530	40	30		CHEBRO
C=CC[N@H+](Cc1ccccc1)[C@@H]1CCC[C@@]1(O)C(=C)C	ZINC000226086366	570268915	/nfs/dbraw/zinc/26/89/15/570268915.db2.gz	GDXFQHGXAXSNGL-QZTJIDSGSA-N	1	0	271.404	3.534	40	30		CHEBRO
C=CC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1	ZINC000006855904	170249859	/nfs/dbraw/zinc/24/98/59/170249859.db2.gz	MNRSZGQGSZGVDK-UHFFFAOYSA-N	1	0	292.176	3.985	40	30		CHEBRO
C=CC[NH2+]Cc1cccc(OCC)c1OCc1ccccc1	ZINC000007539397	170290063	/nfs/dbraw/zinc/29/00/63/170290063.db2.gz	AHUUOUJAHFIMOZ-UHFFFAOYSA-N	1	0	297.398	3.940	40	30		CHEBRO
CN(C)C=CC(c1ccc(-c2ccccc2)cc1)=[N+](C)C	ZINC000008203352	170324471	/nfs/dbraw/zinc/32/44/71/170324471.db2.gz	CGZXBKHZOVPNHC-UHFFFAOYSA-N	1	0	279.407	3.599	40	30		CHEBRO
CCCC[C@@H](C(=O)c1ccccc1)[n+]1ccccc1	ZINC000001664855	567840344	/nfs/dbraw/zinc/84/03/44/567840344.db2.gz	YFXUFCAXKZVOHN-INIZCTEOSA-N	1	0	254.353	3.588	40	30		CHEBRO
CC[N+]1(CC(=O)c2ccc(Cl)cc2)CCCCC1	ZINC000001665249	567840708	/nfs/dbraw/zinc/84/07/08/567840708.db2.gz	DOMTZZJMMRGQIS-UHFFFAOYSA-N	1	0	266.792	3.543	40	30		CHEBRO
CC[NH+](CC)C(C)(C)C(=O)/C=C\c1ccc(C)cc1	ZINC000017174662	567875113	/nfs/dbraw/zinc/87/51/13/567875113.db2.gz	JFSIYPAYJMPDDN-SEYXRHQNSA-N	1	0	259.393	3.698	40	30		CHEBRO
CC[NH+](CC)C[C@H](C)C(=O)/C=C\c1ccc(C)cc1	ZINC000017176627	567875142	/nfs/dbraw/zinc/87/51/42/567875142.db2.gz	QMNMATWYJRKCMF-SSCKCOOKSA-N	1	0	259.393	3.555	40	30		CHEBRO
CC1=C(C)CN(CCc2c[nH]c3ccccc23)[C@@H](C#N)C1	ZINC000031960341	567885622	/nfs/dbraw/zinc/88/56/22/567885622.db2.gz	WFYZAGHXYAWVAU-MRXNPFEDSA-N	1	0	279.387	3.645	40	30		CHEBRO
C=CC[N+]1(C)C[C@@H](C)C(N=Nc2ccccc2)C[C@H]1C	ZINC000033939834	567887132	/nfs/dbraw/zinc/88/71/32/567887132.db2.gz	GPOJJAKGYOUCID-VMQBWGSESA-N	1	0	272.416	3.515	40	30		CHEBRO
C=CCc1cccc(CC=C)c1OCC[NH+](CC)CC	ZINC000001668973	567945864	/nfs/dbraw/zinc/94/58/64/567945864.db2.gz	YSBBHXDZYZKGIY-UHFFFAOYSA-N	1	0	273.420	3.864	40	30		CHEBRO
CC[NH+](CC)C[C@@H](C)C(=O)/C=C/c1ccc(C)cc1	ZINC000001613985	169725554	/nfs/dbraw/zinc/72/55/54/169725554.db2.gz	QMNMATWYJRKCMF-AYJWMTRPSA-N	1	0	259.393	3.555	40	30		CHEBRO
COc1ccc(C/[NH+]=C\c2ccc(N3CCCC3)cc2)cc1	ZINC000408962541	533421766	/nfs/dbraw/zinc/42/17/66/533421766.db2.gz	YZQMCKUBAANVEB-ZHZULCJRSA-N	1	0	294.398	3.915	40	30		CHEBRO
C=CC[C@@]1(Nc2ccccc2)C[C@@H](C)[N@@H+](C)C[C@H]1C	ZINC000004956258	170045133	/nfs/dbraw/zinc/04/51/33/170045133.db2.gz	VNEVZWHHGRSVRH-BFYDXBDKSA-N	1	0	258.409	3.774	40	30		CHEBRO
ON=C1C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C1	ZINC000004963737	170046157	/nfs/dbraw/zinc/04/61/57/170046157.db2.gz	WCYGKEJTAGNKLH-IAGOWNOFSA-N	1	0	266.344	3.683	40	30		CHEBRO
O=C1/C(=C\c2ccc(O)cc2)CCC[C@H]1C[NH+]1CCCCC1	ZINC000031872006	171652469	/nfs/dbraw/zinc/65/24/69/171652469.db2.gz	VQLDGNPJEQIDME-NOCRFKNCSA-N	1	0	299.414	3.631	40	30		CHEBRO
CCCCC[C@@H](C[NH+](C)C)C(=O)/C=C/c1ccc(O)cc1	ZINC000001561026	528257140	/nfs/dbraw/zinc/25/71/40/528257140.db2.gz	LHEPYVCSJWUBFY-ISBHARSQSA-N	1	0	289.419	3.733	40	30		CHEBRO
CC[NH+](CC)CC#CC[C@@](O)(c1ccccc1)C(C)(C)C	ZINC000096194465	567141712	/nfs/dbraw/zinc/14/17/12/567141712.db2.gz	GITYNLRQGASHPU-LJQANCHMSA-N	1	0	287.447	3.656	40	30		CHEBRO
C[N+](C)=C/C=C1/C=C(c2ccccc2)OC2(CCCCC2)O1	ZINC000000276619	567823489	/nfs/dbraw/zinc/82/34/89/567823489.db2.gz	CRTACVONODLUGD-BOPFTXTBSA-N	1	0	298.406	3.962	40	30		CHEBRO
C[C@H](C[NH+](C)C)C(=NNc1ccccc1)c1ccccc1	ZINC000017194723	567875207	/nfs/dbraw/zinc/87/52/07/567875207.db2.gz	RMPPQJZJKQZJHT-MEUCICPISA-N	1	0	281.403	3.701	40	30		CHEBRO
CC[N@H+](Cc1ccccc1)[C@@H]1CCC=CCC/C1=N\O	ZINC000017971524	567876095	/nfs/dbraw/zinc/87/60/95/567876095.db2.gz	QQSLACWFEUZFGO-BCMLHIDESA-N	1	0	272.392	3.838	40	30		CHEBRO
CCCCCCC[C@H]1[NH2+]CCc2cc(O)c(O)cc21	ZINC000100986627	567914294	/nfs/dbraw/zinc/91/42/94/567914294.db2.gz	SBEYAUFDMAKEHR-CQSZACIVSA-N	1	0	263.381	3.645	40	30		CHEBRO
C#CC[N+]1(CC#Cc2cccc3ccccc23)CCCCC1	ZINC000004610676	184531942	/nfs/dbraw/zinc/53/19/42/184531942.db2.gz	FFQSGLJHGLEGNU-UHFFFAOYSA-N	1	0	288.414	3.825	40	30		CHEBRO
C=CC[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1	ZINC000016362759	526663367	/nfs/dbraw/zinc/66/33/67/526663367.db2.gz	KTMFJVISYLNGCJ-UHFFFAOYSA-N	1	0	297.398	3.858	40	30		CHEBRO
CC(C)(C[NH+]1CCCCC1)C(=O)/C=C/c1ccccc1	ZINC000001629024	567839690	/nfs/dbraw/zinc/83/96/90/567839690.db2.gz	CBCOAVBHXKXAOF-VAWYXSNFSA-N	1	0	271.404	3.781	40	30		CHEBRO
CC(=O)c1ccc(N=C[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1	ZINC000005632264	567859595	/nfs/dbraw/zinc/85/95/95/567859595.db2.gz	DYTFFQPPMUHVOQ-WVYNVMTESA-N	1	0	284.403	3.856	40	30		CHEBRO
CCCCCCC[NH2+]Cc1cc(OC)c(OC)cc1OC	ZINC000102565746	567915239	/nfs/dbraw/zinc/91/52/39/567915239.db2.gz	CSXNEZRPHBAGQS-UHFFFAOYSA-N	1	0	295.423	3.772	40	30		CHEBRO
C=CCn1cc2c3c1cccc3[C@@H]1C[C@H](C)C[N@@H+](C)[C@H]1C2	ZINC000005392917	170093773	/nfs/dbraw/zinc/09/37/73/170093773.db2.gz	HWYDWBITVCBTOG-OWQGQXMQSA-N	1	0	280.415	3.807	40	30		CHEBRO
C=CCOc1ccc(C[NH2+]CCCCC)cc1OC	ZINC000006427717	170200637	/nfs/dbraw/zinc/20/06/37/170200637.db2.gz	BOLYWOYPIMODNB-UHFFFAOYSA-N	1	0	263.381	3.540	40	30		CHEBRO
CCCCCCCCCCOC(=O)c1cc[n+](C)cc1	ZINC000001618165	260006021	/nfs/dbraw/zinc/00/60/21/260006021.db2.gz	SYWHJGMPHRACDW-UHFFFAOYSA-N	1	0	278.416	3.809	40	30		CHEBRO
CCCCCCCC[C@@H](O)C[NH2+]Cc1ccccc1	ZINC000100238816	520047830	/nfs/dbraw/zinc/04/78/30/520047830.db2.gz	BGWPUOCZIFOJEV-QGZVFWFLSA-N	1	0	263.425	3.888	40	30		CHEBRO
CCCCCc1cc[n+](CC(=O)c2ccc(F)cc2)cc1	ZINC000001666175	520320736	/nfs/dbraw/zinc/32/07/36/520320736.db2.gz	JHBIWIMJVARNHW-UHFFFAOYSA-N	1	0	286.370	3.729	40	30		CHEBRO
CCCCC[C@H](C[NH+](C)C)C(=O)/C=C/c1ccc(O)cc1	ZINC000001561028	528270666	/nfs/dbraw/zinc/27/06/66/528270666.db2.gz	LHEPYVCSJWUBFY-QSOAKEGCSA-N	1	0	289.419	3.733	40	30		CHEBRO
N#CCCCCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000001562716	566848778	/nfs/dbraw/zinc/84/87/78/566848778.db2.gz	HYTLMHQGKNFGEL-UHFFFAOYSA-N	1	0	291.826	3.546	40	30		CHEBRO
CCCCCCCC[NH2+]C[C@H](C)C(=O)OC(C)(C)C	ZINC000100408487	566877447	/nfs/dbraw/zinc/87/74/47/566877447.db2.gz	FNFFCESNKPFNNJ-AWEZNQCLSA-N	1	0	271.445	3.914	40	30		CHEBRO
CCCCCCCC[NH2+]C[C@@H](C)C(=O)OC(C)(C)C	ZINC000100408486	566925585	/nfs/dbraw/zinc/92/55/85/566925585.db2.gz	FNFFCESNKPFNNJ-CQSZACIVSA-N	1	0	271.445	3.914	40	30		CHEBRO
CC(C)(C)c1ccc(C(=O)C[n+]2ccccc2Cl)cc1	ZINC000001664852	567840414	/nfs/dbraw/zinc/84/04/14/567840414.db2.gz	LOKGAZGMIJLEAQ-UHFFFAOYSA-N	1	0	288.798	3.808	40	30		CHEBRO
CCCCCCC[NH2+]Cc1ccc(OC)c(OC)c1OC	ZINC000102565696	567915167	/nfs/dbraw/zinc/91/51/67/567915167.db2.gz	QVUNBXOQOXYGOS-UHFFFAOYSA-N	1	0	295.423	3.772	40	30		CHEBRO
COc1ccc2c(C#N)cc3c4ccccc4[n+](C)cc3c2c1	ZINC000001565492	1125427702	/nfs/dbraw/zinc/42/77/02/1125427702.db2.gz	HKASFDRZRZGUGK-UHFFFAOYSA-N	1	0	299.353	3.851	40	30		CHEBRO
C=CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1	ZINC000007538477	170290300	/nfs/dbraw/zinc/29/03/00/170290300.db2.gz	BFNNANZFEZULSZ-UHFFFAOYSA-N	1	0	283.371	3.550	40	30		CHEBRO
CCCCCCCC[C@H](O)C[NH2+]Cc1ccccc1	ZINC000100238813	567926557	/nfs/dbraw/zinc/92/65/57/567926557.db2.gz	BGWPUOCZIFOJEV-KRWDZBQOSA-N	1	0	263.425	3.888	40	30		CHEBRO
C#CC1(O)C[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C1	ZINC000073242965	566865927	/nfs/dbraw/zinc/86/59/27/566865927.db2.gz	PWVICUJDTDASAC-YOFSQIOKSA-N	1	0	291.394	3.559	40	30		CHEBRO
CCCCCCCCCC[C@@H](O)Cn1ccnc1	ZINC000001767740	566974819	/nfs/dbraw/zinc/97/48/19/566974819.db2.gz	SKNZZTSZTZWNQQ-OAHLLOKOSA-N	1	0	252.402	3.775	40	30		CHEBRO
N#Cc1ccc(/C=[NH+]/C23CC4CC(CC(C4)C2)C3)cc1	ZINC000018087742	567876586	/nfs/dbraw/zinc/87/65/86/567876586.db2.gz	WDYDSKBVZWCQLT-UDWIEESQSA-N	1	0	264.372	3.946	40	30		CHEBRO
N#CCCn1c2ccc(OCCC=[NH2+])cc2c2ccncc21	ZINC000068605539	567901100	/nfs/dbraw/zinc/90/11/00/567901100.db2.gz	IWPUBPODUUXRDO-UHFFFAOYSA-N	1	0	292.342	3.522	40	30		CHEBRO
C=CC[C@@]1(Nc2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C	ZINC000013617791	567941870	/nfs/dbraw/zinc/94/18/70/567941870.db2.gz	VNEVZWHHGRSVRH-ZMSDIMECSA-N	1	0	258.409	3.774	40	30		CHEBRO
C=CC[C@@]1(Nc2ccccc2)C[C@H](C)[N@@H+](C)C[C@@H]1C	ZINC000013617793	567941890	/nfs/dbraw/zinc/94/18/90/567941890.db2.gz	VNEVZWHHGRSVRH-YQQAZPJKSA-N	1	0	258.409	3.774	40	30		CHEBRO
C=CC[N@H+](Cc1ccccc1)[C@H]1CCC[C@@]1(O)C(=C)C	ZINC000226086380	570268909	/nfs/dbraw/zinc/26/89/09/570268909.db2.gz	GDXFQHGXAXSNGL-ZWKOTPCHSA-N	1	0	271.404	3.534	40	30		CHEBRO
O/N=C1\CCC=CCC[C@H]1[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000018158961	570290051	/nfs/dbraw/zinc/29/00/51/570290051.db2.gz	UJVSNQMAKPILBN-ARWWUYSLSA-N	1	0	276.424	3.828	40	30		CHEBRO
Cc1ccc2[nH+]c(C)cc(NN=Cc3cccnc3)c2c1	ZINC000005006960	170054335	/nfs/dbraw/zinc/05/43/35/170054335.db2.gz	TVWOAVZUEMQCGP-YBFXNURJSA-N	1	0	276.343	3.693	40	30		CHEBRO
C=CCn1cc2c3c1cccc3[C@@H]1C[C@@H](C)C[N@@H+](C)[C@H]1C2	ZINC000005392916	170093788	/nfs/dbraw/zinc/09/37/88/170093788.db2.gz	HWYDWBITVCBTOG-SKDZVZGDSA-N	1	0	280.415	3.807	40	30		CHEBRO
C=CCn1cc2c3c1cccc3[C@H]1C[C@@H](C)C[N@@H+](C)[C@H]1C2	ZINC000005392914	170094073	/nfs/dbraw/zinc/09/40/73/170094073.db2.gz	HWYDWBITVCBTOG-QBIMZIAESA-N	1	0	280.415	3.807	40	30		CHEBRO
C[N@H+](CC[C@H](C#N)c1ccccc1)Cc1ccccc1	ZINC000006375370	170195786	/nfs/dbraw/zinc/19/57/86/170195786.db2.gz	NTBFCNMJKKSDQW-GOSISDBHSA-N	1	0	264.372	3.816	40	30		CHEBRO
C=CCOc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1	ZINC000006856079	170249736	/nfs/dbraw/zinc/24/97/36/170249736.db2.gz	KXMSCQBGQDOAJT-UHFFFAOYSA-N	1	0	271.335	3.680	40	30		CHEBRO
N#Cc1ccc2[nH]c([C@H]3CC[N@@H+](C4CCCCC4)C3)nc2c1	ZINC000035446839	172202628	/nfs/dbraw/zinc/20/26/28/172202628.db2.gz	NHVJQBZVOKEAQE-AWEZNQCLSA-N	1	0	294.402	3.557	40	30	biogenic,in-vitro	CHEBRO
O=C1CCCC2=C1[C@H]1CCC[C@]([NH2+]Cc3ccccc3)(C1)O2	ZINC000068564686	526969397	/nfs/dbraw/zinc/96/93/97/526969397.db2.gz	DROFMUVYDHRJJH-HNAYVOBHSA-N	1	0	297.398	3.700	40	30		CHEBRO
CCCCCCCC[NH2+]Cc1ccc2c(c1)OCO2	ZINC000101761141	528131654	/nfs/dbraw/zinc/13/16/54/528131654.db2.gz	OATKTHIZNVYRST-UHFFFAOYSA-N	1	0	263.381	3.865	40	30		CHEBRO
C=CC[NH2+]Cc1ccc(OCCc2ccccc2)c(OC)c1	ZINC000007540114	566891303	/nfs/dbraw/zinc/89/13/03/566891303.db2.gz	JIDBXBWXEVWVPR-UHFFFAOYSA-N	1	0	297.398	3.592	40	30		CHEBRO
CC[NH+](CC)CC(C)(C)C(=O)/C=C\c1ccc(OC)cc1	ZINC000017174665	567875184	/nfs/dbraw/zinc/87/51/84/567875184.db2.gz	BVIBTIXSFLIYKA-RAXLEYEMSA-N	1	0	289.419	3.646	40	30		CHEBRO
CC(C)[NH+]=C(N(C(C)C)C(C)C)N(C(C)C)C(C)C	ZINC000115059359	567926890	/nfs/dbraw/zinc/92/68/90/567926890.db2.gz	YKRBTEJVESWMGV-UHFFFAOYSA-N	1	0	269.477	3.988	40	30		CHEBRO
C=C(C)C[C@H]1[NH2+][C@H](CC(=C)C)CC=C1Br	ZINC000058824000	567956250	/nfs/dbraw/zinc/95/62/50/567956250.db2.gz	UDDMDHHEBSHOCE-WCQYABFASA-N	1	0	270.214	3.928	40	30		CHEBRO
CC[NH+](CC)[C@@H](C#C[Si](C)(C)C)c1ccccc1	ZINC000195887745	570336172	/nfs/dbraw/zinc/33/61/72/570336172.db2.gz	MTNURXPEBAVOQY-INIZCTEOSA-N	1	0	259.469	3.950	40	30		CHEBRO
C=CC[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1	ZINC000008550131	518953595	/nfs/dbraw/zinc/95/35/95/518953595.db2.gz	AVSJRUGAHBDAGT-UHFFFAOYSA-N	1	0	297.398	3.858	40	30		CHEBRO
CCCCC[C@@H](C[NH+](C)C)C(=O)/C=C\c1cccc(O)c1	ZINC000017106080	528257340	/nfs/dbraw/zinc/25/73/40/528257340.db2.gz	WZDGBYBTKNENBH-JNSOCZORSA-N	1	0	289.419	3.733	40	30		CHEBRO
C[NH+]1CCC(/C(=N/O)c2ccccc2)(c2ccccc2)CC1	ZINC000001584634	567838653	/nfs/dbraw/zinc/83/86/53/567838653.db2.gz	RXOFXKTWSFNTEW-CZIZESTLSA-N	1	0	294.398	3.529	40	30		CHEBRO
CNC(=[NH+]C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000004268024	567856555	/nfs/dbraw/zinc/85/65/55/567856555.db2.gz	FXWUSIULDMSSAH-UHFFFAOYSA-N	1	0	276.424	3.583	40	30		CHEBRO
C[NH+](C)C[C@H]1CCC/C(=C\c2ccc(Cl)cc2)C1=O	ZINC000017255035	567875163	/nfs/dbraw/zinc/87/51/63/567875163.db2.gz	FJZAXHOHOIQEFL-JWAFFJSPSA-N	1	0	277.795	3.654	40	30		CHEBRO
c1ccc(N/C(=[NH+]\c2ccccc2)N2CCCC2)cc1	ZINC000017255422	567875334	/nfs/dbraw/zinc/87/53/34/567875334.db2.gz	XMXWLLDKUUAUOS-UHFFFAOYSA-N	1	0	265.360	3.882	40	30		CHEBRO
CCN(CC)c1ccc(/C=[NH+]\N2CCCCCC2)cc1	ZINC000031771095	567885264	/nfs/dbraw/zinc/88/52/64/567885264.db2.gz	DBJDUPSNGKBPPH-SDXDJHTJSA-N	1	0	273.424	3.743	40	30		CHEBRO
CCCCCCC[NH2+]Cc1ccc(OC)c(OC)c1	ZINC000100126108	567912217	/nfs/dbraw/zinc/91/22/17/567912217.db2.gz	VETBIRPAUMMDNZ-UHFFFAOYSA-N	1	0	265.397	3.764	40	30		CHEBRO
CCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000104151803	567916182	/nfs/dbraw/zinc/91/61/82/567916182.db2.gz	HBSRBVSWYROVAB-UHFFFAOYSA-N	1	0	250.342	3.655	40	30		CHEBRO
CC(=O)c1ccc(N=C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1	ZINC000017610762	570375354	/nfs/dbraw/zinc/37/53/54/570375354.db2.gz	DYTFFQPPMUHVOQ-NFRHVVSLSA-N	1	0	284.403	3.856	40	30		CHEBRO
C/[NH+]=C(/NC(C)C)C(c1ccccc1)c1ccccc1	ZINC000001590072	169720466	/nfs/dbraw/zinc/72/04/66/169720466.db2.gz	SRGNPBNJGQFCPR-UHFFFAOYSA-N	1	0	266.388	3.845	40	30		CHEBRO
CC(C)[NH2+][C@@]12CCC[C@@H](C1)C1=C(CC(C)(C)CC1=O)O2	ZINC000004267915	169951121	/nfs/dbraw/zinc/95/11/21/169951121.db2.gz	BSUYEAGGBWCTHF-YVEFUNNKSA-N	1	0	277.408	3.544	40	30		CHEBRO
ON=C1C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C1	ZINC000004963735	170045865	/nfs/dbraw/zinc/04/58/65/170045865.db2.gz	WCYGKEJTAGNKLH-CALCHBBNSA-N	1	0	266.344	3.683	40	30		CHEBRO
C=CC[N+]1(C)C[C@H](C)C(N=Nc2ccccc2)C[C@H]1C	ZINC000005396268	170094772	/nfs/dbraw/zinc/09/47/72/170094772.db2.gz	GPOJJAKGYOUCID-FQVAPGHWSA-N	1	0	272.416	3.515	40	30		CHEBRO
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H]([NH3+])CO	ZINC000008195648	170323937	/nfs/dbraw/zinc/32/39/37/170323937.db2.gz	WWUZIQQURGPMPG-NVGHFZOBSA-N	1	0	299.499	3.924	40	30	endogenous,in-man	CHEBRO
C=CCN1CCC[C@@H]1c1ccc(Br)cc1	ZINC000066354367	566880199	/nfs/dbraw/zinc/88/01/99/566880199.db2.gz	AICXHYGAAWTGOO-CYBMUJFWSA-N	1	0	266.182	3.772	40	30		CHEBRO
CN(C)/C=N/c1cc(Cl)c(Cl)cc1Cl	ZINC000001569051	567838004	/nfs/dbraw/zinc/83/80/04/567838004.db2.gz	MXQYUCOAWYQQEB-WLRTZDKTSA-N	1	0	251.544	3.868	40	30		CHEBRO
CCCCCc1cc[n+](CC(=O)c2cccs2)cc1	ZINC000001669544	567840792	/nfs/dbraw/zinc/84/07/92/567840792.db2.gz	WPDZFKRCBMPJPN-UHFFFAOYSA-N	1	0	274.409	3.651	40	30		CHEBRO
CC(C)(C[NH+]1CCCCC1)C(=O)/C=C\c1ccccc1	ZINC000017212632	567875312	/nfs/dbraw/zinc/87/53/12/567875312.db2.gz	CBCOAVBHXKXAOF-QXMHVHEDSA-N	1	0	271.404	3.781	40	30		CHEBRO
CCCCCCCCCC(=O)NCC[N+](C)(CC)CC	ZINC000104110073	567916079	/nfs/dbraw/zinc/91/60/79/567916079.db2.gz	SGSHHEGACBBFKI-UHFFFAOYSA-O	1	0	285.496	3.730	40	30		CHEBRO
C/C(=[NH+]/c1c2ccccc2nc2ccccc21)N(C)C	ZINC000104307483	567916590	/nfs/dbraw/zinc/91/65/90/567916590.db2.gz	XDBBURYSKRHHLN-PDGQHHTCSA-N	1	0	263.344	4.000	40	30		CHEBRO
C=CC[N+]1(C)C[C@@H](C)C(N=Nc2ccccc2)C[C@@H]1C	ZINC000005396264	170094689	/nfs/dbraw/zinc/09/46/89/170094689.db2.gz	GPOJJAKGYOUCID-RFOURIRWSA-N	1	0	272.416	3.515	40	30		CHEBRO
C=CC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1	ZINC000006855923	170249773	/nfs/dbraw/zinc/24/97/73/170249773.db2.gz	AONKVEUOYLCFAS-UHFFFAOYSA-N	1	0	271.335	3.680	40	30		CHEBRO
CCCCC[C@H](C[NH+](C)C)C(=O)/C=C/c1cccc(O)c1	ZINC000001565252	528271200	/nfs/dbraw/zinc/27/12/00/528271200.db2.gz	WZDGBYBTKNENBH-LPQFERQCSA-N	1	0	289.419	3.733	40	30		CHEBRO
CCCCCCCCCCCN1CC[NH2+]C[C@H]1C	ZINC000100413384	566877281	/nfs/dbraw/zinc/87/72/81/566877281.db2.gz	QIYFNYADZQKBQX-MRXNPFEDSA-N	1	0	254.462	3.811	40	30		CHEBRO
CC(C)c1ccc(/C=C/C(=O)[C@@H](C)C[NH+](C)C)cc1	ZINC000001607915	567839473	/nfs/dbraw/zinc/83/94/73/567839473.db2.gz	HHSNYYOFPQILIZ-ZHZWZMEUSA-N	1	0	259.393	3.590	40	30		CHEBRO
CC(/C=[NH+]/N(C)c1ccccc1)=N/N(C)c1ccccc1	ZINC000005725153	567859691	/nfs/dbraw/zinc/85/96/91/567859691.db2.gz	IOGQMECZHDDZIN-CBSGOVTASA-N	1	0	280.375	3.621	40	30		CHEBRO
CC[NH+](CC)CC(C)(C)C(=O)/C=C\c1ccc(C)cc1	ZINC000017142999	567875016	/nfs/dbraw/zinc/87/50/16/567875016.db2.gz	MZOXFMTXDJWLNP-SEYXRHQNSA-N	1	0	273.420	3.945	40	30		CHEBRO
CCCCCCCCC[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1	ZINC000104155336	567916243	/nfs/dbraw/zinc/91/62/43/567916243.db2.gz	ZNCYJFRQUZFOMH-MRXNPFEDSA-N	1	0	298.471	3.900	40	30		CHEBRO
CCCCCCCCCCCC[NH2+]CCOCCO	ZINC000103005244	567937983	/nfs/dbraw/zinc/93/79/83/567937983.db2.gz	HAESTAVRTZTMBT-UHFFFAOYSA-N	1	0	273.461	3.506	40	30		CHEBRO
O/N=C1\CCC=CCC[C@@H]1[N@@H+]1CC[C@H]2CCCC[C@@H]2C1	ZINC000257345383	327137292	/nfs/dbraw/zinc/13/72/92/327137292.db2.gz	UJVSNQMAKPILBN-YLLVVGTQSA-N	1	0	276.424	3.828	40	30		CHEBRO
CCCCCCCC[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1	ZINC000104155350	567916171	/nfs/dbraw/zinc/91/61/71/567916171.db2.gz	NHEVZFMLIVBNSM-OAHLLOKOSA-N	1	0	284.444	3.510	40	30		CHEBRO
Cc1ccc(C(=O)C[n+]2cccc3ccccc32)c(C)c1	ZINC000001735754	567842755	/nfs/dbraw/zinc/84/27/55/567842755.db2.gz	VXSYDXKDUWGVCC-UHFFFAOYSA-N	1	0	276.359	3.627	40	30		CHEBRO
C/C(=[NH+]\C(c1ccccc1)c1ccccc1)N(C)C	ZINC000003944550	567854489	/nfs/dbraw/zinc/85/44/89/567854489.db2.gz	LONKYVIUVUQARL-NBVRZTHBSA-N	1	0	252.361	3.756	40	30		CHEBRO
CSC(N=CN(C)C)=[N+](c1ccccc1)c1ccccc1	ZINC000059608315	567896902	/nfs/dbraw/zinc/89/69/02/567896902.db2.gz	CJNOIEQQIBMEOM-UHFFFAOYSA-N	1	0	298.435	3.844	40	30		CHEBRO
C=CCOC1CC2(C1)CC[NH+](Cc1ccc(C)o1)CC2	ZINC000096227823	570335255	/nfs/dbraw/zinc/33/52/55/570335255.db2.gz	CPHKSPSTBZVKBD-UHFFFAOYSA-N	1	0	275.392	3.535	40	30		CHEBRO
O/N=C1/[C@H]2CC[C@H](C2)[C@@H]1[NH+]1CCC(Cc2ccccc2)CC1	ZINC000100971136	230392263	/nfs/dbraw/zinc/39/22/63/230392263.db2.gz	GIXGRJSQBBRWLF-GZBFZNMPSA-N	1	0	298.430	3.570	40	30		CHEBRO
CC[N+](/C=C/C(=O)c1ccc(Cl)cc1)(CC)CC	ZINC000002572975	169811644	/nfs/dbraw/zinc/81/16/44/169811644.db2.gz	LLDHMIXGMLVQTI-VAWYXSNFSA-N	1	0	266.792	3.913	40	30		CHEBRO
C[C@@H](C(=NO)c1ccccc1)[N+](=O)C=CCc1ccccc1	ZINC000013098311	533096659	/nfs/dbraw/zinc/09/66/59/533096659.db2.gz	UVMKGGMVLTYBDD-AIEZGVLDSA-N	1	0	294.354	3.548	40	30		CHEBRO
COc1ccc2[nH+]c(C)cc(NN=Cc3ccccc3)c2c1	ZINC000005330565	170086159	/nfs/dbraw/zinc/08/61/59/170086159.db2.gz	JUDRNGHLANLSBR-XDHOZWIPSA-N	1	0	291.354	3.998	40	30		CHEBRO
C[C@H](C[NH+](C)C)C(=NNc1ccccc1)c1ccccc1	ZINC000005888777	170150434	/nfs/dbraw/zinc/15/04/34/170150434.db2.gz	RMPPQJZJKQZJHT-UDJKBAMHSA-N	1	0	281.403	3.701	40	30		CHEBRO
CCCCC[C@@H](C[NH+](C)C)C(=O)/C=C\c1ccc(O)cc1	ZINC000017063466	528257213	/nfs/dbraw/zinc/25/72/13/528257213.db2.gz	LHEPYVCSJWUBFY-DDKJEQMHSA-N	1	0	289.419	3.733	40	30		CHEBRO
CCCCC[C@H](C[NH+](C)C)C(=O)/C=C\c1cccc(O)c1	ZINC000017106082	528271116	/nfs/dbraw/zinc/27/11/16/528271116.db2.gz	WZDGBYBTKNENBH-YUQCYMQKSA-N	1	0	289.419	3.733	40	30		CHEBRO
CCCCCCC[NH2+]Cc1cc(C)nn1CCC	ZINC000256052735	570351778	/nfs/dbraw/zinc/35/17/78/570351778.db2.gz	OLINSDQYCJWWSB-UHFFFAOYSA-N	1	0	251.418	3.662	40	30		CHEBRO
CC(C)[NH2+]C[C@H](S)COc1cccc2ccccc21	ZINC000584577844	566955206	/nfs/dbraw/zinc/95/52/06/566955206.db2.gz	DLTXOERGBQIRPV-AWEZNQCLSA-N	1	0	275.417	3.515	40	30		CHEBRO
O=C1/C(=C/c2ccc(O)cc2)CCC[C@@H]1C[NH+]1CCCCC1	ZINC000001650738	567840149	/nfs/dbraw/zinc/84/01/49/567840149.db2.gz	VQLDGNPJEQIDME-HJUDDPQBSA-N	1	0	299.414	3.631	40	30		CHEBRO
C=C(C[NH+](C)C)C(=O)c1ccc(Oc2ccccc2)cc1	ZINC000073314366	567903331	/nfs/dbraw/zinc/90/33/31/567903331.db2.gz	SJNPQWMXRQHPDV-UHFFFAOYSA-N	1	0	281.355	3.779	40	30		CHEBRO
O/N=C1/CCCC[C@H]1[NH+]1CCC(c2ccccc2)CC1	ZINC000100965251	567914291	/nfs/dbraw/zinc/91/42/91/567914291.db2.gz	YJABVQGHXNRSSZ-FXBHHXAOSA-N	1	0	272.392	3.639	40	30		CHEBRO
C=CCOc1ccc(C[NH2+]CCc2ccccc2)cc1OC	ZINC000006581116	170215446	/nfs/dbraw/zinc/21/54/46/170215446.db2.gz	NXXUAXUZQPTNOC-UHFFFAOYSA-N	1	0	297.398	3.592	40	30		CHEBRO
O/N=C1\CCC=CCC[C@@H]1[N@@H+]1CC[C@@H]2CCCC[C@H]2C1	ZINC000257345382	327137243	/nfs/dbraw/zinc/13/72/43/327137243.db2.gz	UJVSNQMAKPILBN-NUNPITBBSA-N	1	0	276.424	3.828	40	30		CHEBRO
C=CC[NH2+]Cc1ccccc1OCc1ccc(F)cc1	ZINC000006855940	518954313	/nfs/dbraw/zinc/95/43/13/518954313.db2.gz	YXPVYKJJFHUHMO-UHFFFAOYSA-N	1	0	271.335	3.680	40	30		CHEBRO
CCCCC[C@@H](C[NH+](C)C)C(=O)/C=C/c1cccc(O)c1	ZINC000001565250	528257411	/nfs/dbraw/zinc/25/74/11/528257411.db2.gz	WZDGBYBTKNENBH-PCUGXKRQSA-N	1	0	289.419	3.733	40	30		CHEBRO
C=CCn1c2ccccc2nc1[C@@H](C)[NH+]1CCCCC1	ZINC000016776796	566896507	/nfs/dbraw/zinc/89/65/07/566896507.db2.gz	JMYGNCYNELJRTF-CQSZACIVSA-N	1	0	269.392	3.769	40	30		CHEBRO
C[C@@H](C(=O)c1ccccc1)[N+](C)(C)Cc1ccccc1	ZINC000001675114	567841021	/nfs/dbraw/zinc/84/10/21/567841021.db2.gz	NFOACWATQYMQGS-HNNXBMFYSA-N	1	0	268.380	3.534	40	30		CHEBRO
C[C@H](C#N)c1ccc(N2Cc3ccccc3CC2=[NH2+])cc1	ZINC000001797768	567843387	/nfs/dbraw/zinc/84/33/87/567843387.db2.gz	IYDTXRNOBGWNAF-CYBMUJFWSA-N	1	0	275.355	3.854	40	30		CHEBRO
CC1=C(C)CN(CCc2c[nH]c3ccccc23)[C@H](C#N)C1	ZINC000031960345	567885539	/nfs/dbraw/zinc/88/55/39/567885539.db2.gz	WFYZAGHXYAWVAU-INIZCTEOSA-N	1	0	279.387	3.645	40	30		CHEBRO
C/C(=[NH+]/C(c1ccccc1)c1ccccc1)N(C)C	ZINC000017002806	570226398	/nfs/dbraw/zinc/22/63/98/570226398.db2.gz	LONKYVIUVUQARL-JXAWBTAJSA-N	1	0	252.361	3.756	40	30		CHEBRO
C[C@H]1/C(=N/O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000004477931	1120724010	/nfs/dbraw/zinc/72/40/10/1120724010.db2.gz	MKDXFVQSWSAIDD-BOACZUPSSA-N	1	0	280.371	3.929	40	30		CHEBRO
C=CCOc1ccc(C[NH2+]CCCCC)cc1OCC	ZINC000006427718	170200399	/nfs/dbraw/zinc/20/03/99/170200399.db2.gz	OXKIZVCXTDSOHQ-UHFFFAOYSA-N	1	0	277.408	3.930	40	30		CHEBRO
CCCCCCCC[NH2+]CCC(=O)OC(C)(C)C	ZINC000100408285	566925731	/nfs/dbraw/zinc/92/57/31/566925731.db2.gz	AMCMOBBMEPPNJL-UHFFFAOYSA-N	1	0	257.418	3.668	40	30		CHEBRO
C[NH+](C)C[C@H]1CCC/C(=C/c2ccc(Cl)cc2)C1=O	ZINC000001855922	567843829	/nfs/dbraw/zinc/84/38/29/567843829.db2.gz	FJZAXHOHOIQEFL-QLKUMGTLSA-N	1	0	277.795	3.654	40	30		CHEBRO
O/N=C1/CCCC[C@@H]1[NH+]1CCC(c2ccccc2)CC1	ZINC000100965254	567914402	/nfs/dbraw/zinc/91/44/02/567914402.db2.gz	YJABVQGHXNRSSZ-HMNTXPNISA-N	1	0	272.392	3.639	40	30		CHEBRO
CCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000103034190	570260674	/nfs/dbraw/zinc/26/06/74/570260674.db2.gz	DQANGOBYWXWMOU-UHFFFAOYSA-N	1	0	250.342	3.655	40	30		CHEBRO
CCCC/C(=N\OCC[NH3+])c1ccc(C(F)(F)F)cc1	ZINC000044699426	175235544	/nfs/dbraw/zinc/23/55/44/175235544.db2.gz	QYWVEFPUVMRRCU-CPNJWEJPSA-N	1	0	288.313	3.575	40	30	in-vitro	CHEBRO
CCCCCCC[NH2+]CC(=O)Nc1c(C)cccc1C	ZINC000001684132	528134396	/nfs/dbraw/zinc/13/43/96/528134396.db2.gz	LUFMGORQPVYYQJ-UHFFFAOYSA-N	1	0	276.424	3.802	40	30		CHEBRO
CCCCCCC[NH2+]Cc1cn(C(C)C)nc1C	ZINC000256049757	570351766	/nfs/dbraw/zinc/35/17/66/570351766.db2.gz	BHONJFNWVFPCLR-UHFFFAOYSA-N	1	0	251.418	3.832	40	30		CHEBRO
C#CC1(O)C[C@H](c2ccccc2)[NH+](C)[C@@H](c2ccccc2)C1	ZINC000073242966	566865334	/nfs/dbraw/zinc/86/53/34/566865334.db2.gz	PWVICUJDTDASAC-RTBURBONSA-N	1	0	291.394	3.559	40	30		CHEBRO
C=CCn1c2ccccc2nc1[C@H](C)[NH+]1CCCCC1	ZINC000016776798	566896401	/nfs/dbraw/zinc/89/64/01/566896401.db2.gz	JMYGNCYNELJRTF-AWEZNQCLSA-N	1	0	269.392	3.769	40	30		CHEBRO
CCCC[C@H](C[NH+](C)C)C(=O)/C=C/c1ccccc1	ZINC000001609888	567839494	/nfs/dbraw/zinc/83/94/94/567839494.db2.gz	PXNAVICRUUPTME-CJTWTEFWSA-N	1	0	259.393	3.637	40	30		CHEBRO
CCCCCCCCOc1ccccc1C1=[NH+]CCN1	ZINC000100934644	567914201	/nfs/dbraw/zinc/91/42/01/567914201.db2.gz	NFBQTZGHHGKYEV-UHFFFAOYSA-N	1	0	274.408	3.776	40	30		CHEBRO
ON=C1C[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C1	ZINC000004963738	170045966	/nfs/dbraw/zinc/04/59/66/170045966.db2.gz	WCYGKEJTAGNKLH-IRXDYDNUSA-N	1	0	266.344	3.683	40	30		CHEBRO
C[C@@H](C[NH+](C)C)C(=NNc1ccccc1)c1ccccc1	ZINC000005888772	170150358	/nfs/dbraw/zinc/15/03/58/170150358.db2.gz	RMPPQJZJKQZJHT-LZICOFPGSA-N	1	0	281.403	3.701	40	30		CHEBRO
C=CCOc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1	ZINC000006856071	170249843	/nfs/dbraw/zinc/24/98/43/170249843.db2.gz	XYASJZUWNBTTDR-UHFFFAOYSA-N	1	0	285.362	3.723	40	30		CHEBRO
CCCCCCCCCCCCC/C=C\[C@@H](O)[C@@H]([NH3+])CO	ZINC000008036008	170315652	/nfs/dbraw/zinc/31/56/52/170315652.db2.gz	WWUZIQQURGPMPG-QOQDJSECSA-N	1	0	299.499	3.924	40	30	in-vivo	CHEBRO
CCCCCc1cc[n+](CC(=O)c2ccc(OC)cc2)cc1	ZINC000001667452	520321272	/nfs/dbraw/zinc/32/12/72/520321272.db2.gz	GSFGGCRJXIXGDW-UHFFFAOYSA-N	1	0	298.406	3.598	40	30		CHEBRO
CCCCCCCC[C@@H](CO)[NH2+]CCc1ccccc1	ZINC000001672750	528133120	/nfs/dbraw/zinc/13/31/20/528133120.db2.gz	JZDGZGZNMCQPLD-SFHVURJKSA-N	1	0	277.452	3.930	40	30		CHEBRO
C[C@H]([NH3+])[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1	ZINC000035875312	566979292	/nfs/dbraw/zinc/97/92/92/566979292.db2.gz	DUGNQLMMMIZIFR-YVEFUNNKSA-N	1	0	284.790	3.885	40	30		CHEBRO
O=C(C[n+]1ccnc2ccccc21)c1ccc2ccccc2c1	ZINC000001667302	567840621	/nfs/dbraw/zinc/84/06/21/567840621.db2.gz	YUGHMHHNYGTTSE-UHFFFAOYSA-N	1	0	299.353	3.558	40	30		CHEBRO
O=C(C[n+]1ccccc1Cl)c1ccc2ccccc2c1	ZINC000001667273	567840673	/nfs/dbraw/zinc/84/06/73/567840673.db2.gz	QAXXYNRGCXOULP-UHFFFAOYSA-N	1	0	282.750	3.664	40	30		CHEBRO
Cc1cccc(C=NNc2cc(C)nc3ccccc32)n1	ZINC000017108702	567875047	/nfs/dbraw/zinc/87/50/47/567875047.db2.gz	JZQLJIMOVVEHPB-WOJGMQOQSA-N	1	0	276.343	3.693	40	30		CHEBRO
O=C(/C=C\c1ccccc1)CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1	ZINC000017378377	567875582	/nfs/dbraw/zinc/87/55/82/567875582.db2.gz	LFRNWLJAAPXIII-VTFYZGIISA-N	1	0	283.415	3.781	40	30		CHEBRO
C=CCn1cc2c3c1cccc3[C@H]1C[C@H](C)C[N@@H+](C)[C@H]1C2	ZINC000005392915	170094060	/nfs/dbraw/zinc/09/40/60/170094060.db2.gz	HWYDWBITVCBTOG-XCRHUMRWSA-N	1	0	280.415	3.807	40	30		CHEBRO
C=CC[NH2+]Cc1ccc(OCc2ccccc2)cc1	ZINC000006855881	170249412	/nfs/dbraw/zinc/24/94/12/170249412.db2.gz	RBSNTJXJCANRSF-UHFFFAOYSA-N	1	0	253.345	3.541	40	30		CHEBRO
C=CCOc1ccc(C[NH2+][C@@H](C)CC)cc1OCC	ZINC000008326729	170331399	/nfs/dbraw/zinc/33/13/99/170331399.db2.gz	QAVIAMMDAKSLGU-ZDUSSCGKSA-N	1	0	263.381	3.538	40	30		CHEBRO
O=C1/C(=C\c2ccccc2)CCC[C@@H]1C[NH+]1CCCCC1	ZINC000000173506	567821361	/nfs/dbraw/zinc/82/13/61/567821361.db2.gz	XFSQEKDTPJNBEF-HGLWPWQMSA-N	1	0	283.415	3.925	40	30		CHEBRO
CC[NH+](CC)CC(C)(C)C(=O)/C=C/c1ccc(OC)cc1	ZINC000001607750	567839357	/nfs/dbraw/zinc/83/93/57/567839357.db2.gz	BVIBTIXSFLIYKA-JLHYYAGUSA-N	1	0	289.419	3.646	40	30		CHEBRO
C[C@]12C[C@H](CC(C)(C)C1)[N@H+](CC#Cc1ccccc1)C2	ZINC000004365330	567944609	/nfs/dbraw/zinc/94/46/09/567944609.db2.gz	NJURUNKDWIPDJB-HKUYNNGSSA-N	1	0	267.416	3.939	40	30		CHEBRO
C[C@H]1/C(=N/O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000033836956	567949115	/nfs/dbraw/zinc/94/91/15/567949115.db2.gz	MKDXFVQSWSAIDD-HLYVUIPXSA-N	1	0	280.371	3.929	40	30		CHEBRO
C[C@H](C(=NO)c1ccccc1)[N+](=O)C=CCc1ccccc1	ZINC000013098312	230371050	/nfs/dbraw/zinc/37/10/50/230371050.db2.gz	UVMKGGMVLTYBDD-RWVZGNQGSA-N	1	0	294.354	3.548	40	30		CHEBRO
CC[N@H+](Cc1ccccc1)[C@H]1CCC=CCC/C1=N\O	ZINC000006462954	170202836	/nfs/dbraw/zinc/20/28/36/170202836.db2.gz	QQSLACWFEUZFGO-WZVVNYKOSA-N	1	0	272.392	3.838	40	30		CHEBRO
COc1ccc(C[N+](=O)c2ccc(Cl)cc2)cc1	ZINC000000558968	567833714	/nfs/dbraw/zinc/83/37/14/567833714.db2.gz	GPOIQIIVRDVBEB-YBEGLDIGSA-N	1	0	261.708	3.610	40	30		CHEBRO
O=C(/C=C/c1ccccc1)CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1	ZINC000001615799	567839394	/nfs/dbraw/zinc/83/93/94/567839394.db2.gz	LFRNWLJAAPXIII-XDIYQJDNSA-N	1	0	283.415	3.781	40	30		CHEBRO
Cc1cc2ccccc2c[n+]1[C@H]1CCc2ccccc2C1=O	ZINC000001666387	567840575	/nfs/dbraw/zinc/84/05/75/567840575.db2.gz	WBWFEDZZMRRJRH-IBGZPJMESA-N	1	0	288.370	3.806	40	30		CHEBRO
CSC(NCc1ccccc1)=[NH+]C1CCCCC1	ZINC000017024850	567874689	/nfs/dbraw/zinc/87/46/89/567874689.db2.gz	PQIRGPIDISQELL-UHFFFAOYSA-N	1	0	262.422	3.828	40	30		CHEBRO
CC[NH+](CC)CC(C)(C)C(=O)/C=C\c1ccccc1	ZINC000031792862	567885069	/nfs/dbraw/zinc/88/50/69/567885069.db2.gz	LUJNEZVNTVCHEC-SEYXRHQNSA-N	1	0	259.393	3.637	40	30		CHEBRO
C#CCN1C=[N+](c2ccc(C)cc2)Cc2cc(C)ccc21	ZINC000001727472	136379471	/nfs/dbraw/zinc/37/94/71/136379471.db2.gz	AYVKAGLQJJGAGX-UHFFFAOYSA-N	1	0	275.375	3.629	40	30		CHEBRO
C=CCc1c(OCC[NH+](C)C)ccc2ccccc21	ZINC000001455827	566899891	/nfs/dbraw/zinc/89/98/91/566899891.db2.gz	IEPQFYATGYKXQM-UHFFFAOYSA-N	1	0	255.361	3.509	40	30		CHEBRO
O=C1/C(=C\c2ccc(O)cc2)CCC[C@@H]1C[NH+]1CCCCC1	ZINC000031872008	567885300	/nfs/dbraw/zinc/88/53/00/567885300.db2.gz	VQLDGNPJEQIDME-VZVUQDNOSA-N	1	0	299.414	3.631	40	30		CHEBRO
CC[NH+](CC)[C@H](C#C[Si](C)(C)C)c1ccccc1	ZINC000195887751	570336180	/nfs/dbraw/zinc/33/61/80/570336180.db2.gz	MTNURXPEBAVOQY-MRXNPFEDSA-N	1	0	259.469	3.950	40	30		CHEBRO
C[NH+](C)CCCC(C#N)(c1ccccc1)c1ccccc1	ZINC000001673512	570383808	/nfs/dbraw/zinc/38/38/08/570383808.db2.gz	CUSRNMDZVRKOIM-UHFFFAOYSA-N	1	0	278.399	3.838	40	30		CHEBRO