smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1	ZINC000092043063	400150041	/nfs/dbraw/zinc/15/00/41/400150041.db2.gz	KENZSAUTGJSPCP-MJGOQNOKSA-N	2	0	300.446	3.168	10	30		DGEERP
C=CC[C@H]1CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1	ZINC000625701819	401185446	/nfs/dbraw/zinc/18/54/46/401185446.db2.gz	LQRGPATZGVGDHO-IBGZPJMESA-N	2	0	313.489	3.097	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000453341768	433102303	/nfs/dbraw/zinc/10/23/03/433102303.db2.gz	CUDRSCYFGHZUET-IVDHNXQLSA-N	2	0	312.457	3.115	10	30		DGEERP
CC[NH+](CC)CC1CC[NH+](CC#Cc2ccc(F)cc2)CC1	ZINC000533000835	435204811	/nfs/dbraw/zinc/20/48/11/435204811.db2.gz	IQKHQEBTABOGPB-UHFFFAOYSA-N	2	0	302.437	3.231	10	30		DGEERP
C=C(C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1ccccc1	ZINC000344129919	526881494	/nfs/dbraw/zinc/88/14/94/526881494.db2.gz	VHXOBBFOIVRQIY-UHFFFAOYSA-N	2	0	304.397	3.379	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1	ZINC000303879684	657570135	/nfs/dbraw/zinc/57/01/35/657570135.db2.gz	JUCJRECXLOSZBH-HOTGVXAUSA-N	2	0	316.493	3.478	10	30		DGEERP
C=C(Cl)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000105915719	432019224	/nfs/dbraw/zinc/01/92/24/432019224.db2.gz	OMYRPHUNXKOMNZ-GOSISDBHSA-N	2	0	322.880	3.116	10	30		DGEERP
C[NH+](CC#CC[N@@H+](C)C(C1CC1)C1CC1)C(C1CC1)C1CC1	ZINC000472748662	244313626	/nfs/dbraw/zinc/31/36/26/244313626.db2.gz	IDHXJTGPMRTYKY-UHFFFAOYSA-N	2	0	300.490	3.231	10	30		DGEERP
C=CCOc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1	ZINC000567871122	435365589	/nfs/dbraw/zinc/36/55/89/435365589.db2.gz	RAVGEXNCRWLUDV-GOSISDBHSA-N	2	0	300.446	3.073	10	30		DGEERP
C=CCCC[C@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000537036512	337881769	/nfs/dbraw/zinc/88/17/69/337881769.db2.gz	GJKDPYFDALOAHR-SFHVURJKSA-N	2	0	307.526	3.222	10	30		DGEERP
C=CCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1	ZINC000130483123	341022822	/nfs/dbraw/zinc/02/28/22/341022822.db2.gz	BITLJLZNDAOOTR-VQIMIIECSA-N	2	0	302.462	3.414	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCCCCC[NH+]2CCCCC2)c1	ZINC000304738989	657645965	/nfs/dbraw/zinc/64/59/65/657645965.db2.gz	AYEFBXGMVWZYSQ-UHFFFAOYSA-N	2	0	302.466	3.378	10	30		DGEERP
CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@H](C)C#N)cc2)[C@H](C)C1	ZINC000245750103	662240287	/nfs/dbraw/zinc/24/02/87/662240287.db2.gz	NRMLCKCUYBSXSU-MDZRGWNJSA-N	2	0	315.461	3.140	10	30		DGEERP
C=CCCC[C@H](C)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000091510006	400124944	/nfs/dbraw/zinc/12/49/44/400124944.db2.gz	KLYGTGBBADMHBL-IPMKNSEASA-N	2	0	307.526	3.222	10	30		DGEERP
C=CC[NH+](CC=C)[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C	ZINC000623355416	401498427	/nfs/dbraw/zinc/49/84/27/401498427.db2.gz	MMTKJLBBERYUJD-MSOLQXFVSA-N	2	0	307.526	3.147	10	30		DGEERP
C=CCCC[C@H](C)[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1	ZINC000425990711	433395565	/nfs/dbraw/zinc/39/55/65/433395565.db2.gz	OGISRPCEMJDWFZ-AZUAARDMSA-N	2	0	316.489	3.300	10	30		DGEERP
C=CCOc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1	ZINC000424369831	434713668	/nfs/dbraw/zinc/71/36/68/434713668.db2.gz	BQTQUECUTASPRR-INIZCTEOSA-N	2	0	300.446	3.215	10	30		DGEERP
C=CCCOCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1	ZINC000580191528	435212277	/nfs/dbraw/zinc/21/22/77/435212277.db2.gz	KNUPAKVZHKPXFF-LJQANCHMSA-N	2	0	314.473	3.366	10	30		DGEERP
C=CCCOCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1	ZINC000580191527	435212862	/nfs/dbraw/zinc/21/28/62/435212862.db2.gz	KNUPAKVZHKPXFF-IBGZPJMESA-N	2	0	314.473	3.366	10	30		DGEERP
C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1	ZINC000536681789	435402187	/nfs/dbraw/zinc/40/21/87/435402187.db2.gz	ZQIUSMJIZLVOLN-LPHOPBHVSA-N	2	0	302.462	3.414	10	30		DGEERP
C=CCOc1ccc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1	ZINC000536698562	435405390	/nfs/dbraw/zinc/40/53/90/435405390.db2.gz	REZZAKPEBKYXBF-IBGZPJMESA-N	2	0	314.473	3.415	10	30		DGEERP
CCC[NH+]1CCC(CNC(=[NH2+])Nc2ccc(CC)cc2)CC1	ZINC000104177529	627412214	/nfs/dbraw/zinc/41/22/14/627412214.db2.gz	ZHSKTBOOUDVJOQ-UHFFFAOYSA-N	2	0	302.466	3.098	10	30		DGEERP
N#Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1	ZINC000093769307	193303715	/nfs/dbraw/zinc/30/37/15/193303715.db2.gz	XBVZNHSJUDDGSG-UHFFFAOYSA-N	2	0	301.434	3.239	10	30		DGEERP
C=CCCC[C@H](C)[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1	ZINC000425990712	433394068	/nfs/dbraw/zinc/39/40/68/433394068.db2.gz	OGISRPCEMJDWFZ-ICSRJNTNSA-N	2	0	316.489	3.300	10	30		DGEERP
C=CCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1	ZINC000131805307	332037085	/nfs/dbraw/zinc/03/70/85/332037085.db2.gz	ONTPNRSAZFWWGN-AYHJJNSGSA-N	2	0	300.446	3.356	10	30		DGEERP
C=CCCC[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000542593061	341014910	/nfs/dbraw/zinc/01/49/10/341014910.db2.gz	MGQSBKWILCUFBK-GOSISDBHSA-N	2	0	307.526	3.081	10	30		DGEERP
C=CCCC[C@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000091510002	400125029	/nfs/dbraw/zinc/12/50/29/400125029.db2.gz	KLYGTGBBADMHBL-GBESFXJTSA-N	2	0	307.526	3.222	10	30		DGEERP
C=CCCC[C@H](C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000091510004	400125110	/nfs/dbraw/zinc/12/51/10/400125110.db2.gz	KLYGTGBBADMHBL-FHWLQOOXSA-N	2	0	307.526	3.222	10	30		DGEERP
O/[N+](=C\c1ccccc1)[C@@H]1CCCC[C@@H]1/[N+](O)=C/c1ccccc1	ZINC000225398494	400956978	/nfs/dbraw/zinc/95/69/78/400956978.db2.gz	SQTKLHUNHTWMSG-FZXNRTHUSA-N	2	0	324.424	3.339	10	30		DGEERP
C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1OC	ZINC000634732347	401340759	/nfs/dbraw/zinc/34/07/59/401340759.db2.gz	DLAXXNAXBOIQPJ-INIZCTEOSA-N	2	0	318.461	3.128	10	30		DGEERP
N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1F	ZINC000191943662	165276518	/nfs/dbraw/zinc/27/65/18/165276518.db2.gz	DGAAFRTZFJKUOH-UHFFFAOYSA-N	2	0	301.409	3.005	10	30		DGEERP
N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)c1	ZINC000188413541	432723739	/nfs/dbraw/zinc/72/37/39/432723739.db2.gz	FNZYFLPIVFFOIY-GOSISDBHSA-N	2	0	324.428	3.230	10	30		DGEERP
CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(C#N)cc2F)CC1	ZINC000512650206	294447801	/nfs/dbraw/zinc/44/78/01/294447801.db2.gz	XUJYMRGSOSXVOF-CQSZACIVSA-N	2	0	303.425	3.470	10	30		DGEERP
N#CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1	ZINC000366756489	434504837	/nfs/dbraw/zinc/50/48/37/434504837.db2.gz	KWLSILZETDXHBC-YQQQUEKLSA-N	2	0	309.457	3.465	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCCCC[N@H+]2CCC[C@@H](C)C2)c1	ZINC000104169899	617962784	/nfs/dbraw/zinc/96/27/84/617962784.db2.gz	UGFGYQSLHQOPSE-MRXNPFEDSA-N	2	0	302.466	3.234	10	30		DGEERP
CCC[NH+]1CCC(CNC(=[NH2+])Nc2cc(C)cc(C)c2)CC1	ZINC000303878211	657569945	/nfs/dbraw/zinc/56/99/45/657569945.db2.gz	JBPPGURIAGKVKG-UHFFFAOYSA-N	2	0	302.466	3.152	10	30		DGEERP
CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1cccc(C)c1	ZINC000303891477	657573394	/nfs/dbraw/zinc/57/33/94/657573394.db2.gz	QRXOQUQDXAHRPZ-KRWDZBQOSA-N	2	0	302.466	3.376	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1	ZINC000303899924	657577042	/nfs/dbraw/zinc/57/70/42/657577042.db2.gz	WJBUTXDDTHUSKN-YJBOKZPZSA-N	2	0	302.466	3.232	10	30		DGEERP
C[C@@H](CCNC(=[NH2+])NC1CCCCC1)[N@H+](C)Cc1ccccc1	ZINC000304490557	657635921	/nfs/dbraw/zinc/63/59/21/657635921.db2.gz	LNWYLAKZXOCUFK-INIZCTEOSA-N	2	0	316.493	3.134	10	30		DGEERP
[NH2+]=C(NCc1cccc(C[NH+]2CCCC2)c1)NC1CCCCC1	ZINC000170911729	659247090	/nfs/dbraw/zinc/24/70/90/659247090.db2.gz	AZLVZHBVTSHQJG-UHFFFAOYSA-N	2	0	314.477	3.019	10	30		DGEERP
C=CCCOCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1	ZINC000449202016	240065587	/nfs/dbraw/zinc/06/55/87/240065587.db2.gz	FMQDMNJUXDZXAJ-GOSISDBHSA-N	2	0	316.489	3.264	10	30		DGEERP
C#CCOc1ccccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1	ZINC000152679704	620517537	/nfs/dbraw/zinc/51/75/37/620517537.db2.gz	JQCRUTOBDOBAOX-UHFFFAOYSA-N	2	0	312.457	3.006	10	30		DGEERP
[NH2+]=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC1CCCCC1	ZINC000303793554	657565758	/nfs/dbraw/zinc/56/57/58/657565758.db2.gz	ZNRDPJCRDFMOCI-UHFFFAOYSA-N	2	0	314.477	3.019	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1	ZINC000303905474	657579302	/nfs/dbraw/zinc/57/93/02/657579302.db2.gz	VQAULXINGQXVPG-SFHVURJKSA-N	2	0	316.493	3.478	10	30		DGEERP
C=C(Cl)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000105915716	432019722	/nfs/dbraw/zinc/01/97/22/432019722.db2.gz	OMYRPHUNXKOMNZ-SFHVURJKSA-N	2	0	322.880	3.116	10	30		DGEERP
C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(C#N)s1	ZINC000181476246	432129537	/nfs/dbraw/zinc/12/95/37/432129537.db2.gz	RGVPOCIRCMVOSM-GFCCVEGCSA-N	2	0	309.398	3.051	10	30		DGEERP
C[NH+](C)Cc1cc(C[NH2+]Cc2ccc(C#N)s2)ccc1F	ZINC000176970564	432571424	/nfs/dbraw/zinc/57/14/24/432571424.db2.gz	DGMAMZDJDRYKHM-UHFFFAOYSA-N	2	0	303.406	3.110	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1	ZINC000424176845	434646809	/nfs/dbraw/zinc/64/68/09/434646809.db2.gz	RXRKLGLCWDVDNX-OALUTQOASA-N	2	0	316.489	3.325	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000424294316	434681268	/nfs/dbraw/zinc/68/12/68/434681268.db2.gz	KNTBFNDLMYYKAI-GTAWCEEGSA-N	2	0	314.473	3.078	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1	ZINC000424296905	434683724	/nfs/dbraw/zinc/68/37/24/434683724.db2.gz	POJOTQBHYNMEKF-NEPXVJNWSA-N	2	0	306.494	3.210	10	30		DGEERP
C=CC[C@H](CO)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1	ZINC000449210039	534396089	/nfs/dbraw/zinc/39/60/89/534396089.db2.gz	VJVWHHOFZIIXPL-INIZCTEOSA-N	2	0	310.526	3.440	10	30		DGEERP
C#CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1	ZINC000093639256	660537534	/nfs/dbraw/zinc/53/75/34/660537534.db2.gz	CEYMSMKWTPPUSF-YLJYHZDGSA-N	2	0	314.473	3.251	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCCCC[N@H+]2CCCC[C@@H]2C)c1	ZINC000303905568	657578491	/nfs/dbraw/zinc/57/84/91/657578491.db2.gz	VRQYOHOTTDMHJC-INIZCTEOSA-N	2	0	302.466	3.376	10	30		DGEERP
C[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1n1ccnc1	ZINC000129437984	432005894	/nfs/dbraw/zinc/00/58/94/432005894.db2.gz	UHENEZVIMGOORC-YJBOKZPZSA-N	2	0	313.832	3.471	10	30		DGEERP
CCCCCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000182616592	432210964	/nfs/dbraw/zinc/21/09/64/432210964.db2.gz	XRIBZUGHTWQKTL-DFNIBXOVSA-N	2	0	307.526	3.200	10	30		DGEERP
CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C1	ZINC000195299673	432617190	/nfs/dbraw/zinc/61/71/90/432617190.db2.gz	MTKYCAVGWLDCJL-SFHVURJKSA-N	2	0	314.477	3.165	10	30		DGEERP
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(CC#N)cc1	ZINC000399012581	337313552	/nfs/dbraw/zinc/31/35/52/337313552.db2.gz	CHTJNKCKKIAXST-UTKZUKDTSA-N	2	0	319.452	3.363	10	30		DGEERP
CC[NH+](CC)Cc1cccc(CNC(=[NH2+])NC2CCCCC2)c1	ZINC000104164692	627411706	/nfs/dbraw/zinc/41/17/06/627411706.db2.gz	PRTAOFRCQDTPKD-UHFFFAOYSA-N	2	0	316.493	3.265	10	30		DGEERP
C=CCC[C@@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000717978229	662213050	/nfs/dbraw/zinc/21/30/50/662213050.db2.gz	ZEWVEMMHAJDOOZ-GOSISDBHSA-N	2	0	316.489	3.348	10	30		DGEERP
C=CCC[C@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000717978233	662213236	/nfs/dbraw/zinc/21/32/36/662213236.db2.gz	ZEWVEMMHAJDOOZ-SFHVURJKSA-N	2	0	316.489	3.348	10	30		DGEERP
C=CCOc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1	ZINC000446886038	433124982	/nfs/dbraw/zinc/12/49/82/433124982.db2.gz	ZTLDQCCBMBKNGO-UHFFFAOYSA-N	2	0	300.446	3.215	10	30		DGEERP
C=CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1	ZINC000565117625	435277092	/nfs/dbraw/zinc/27/70/92/435277092.db2.gz	VRRYFWRTFHAEDN-IEBWSBKVSA-N	2	0	300.446	3.168	10	30		DGEERP
C=CC[NH+](CC=C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C(C)C	ZINC000566669346	435287702	/nfs/dbraw/zinc/28/77/02/435287702.db2.gz	CELUHHXSCBWOBW-YSTOQKLRSA-N	2	0	319.537	3.147	10	30		DGEERP
C=CCOc1ccccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000131819233	332036832	/nfs/dbraw/zinc/03/68/32/332036832.db2.gz	FWFOODDIGQVBEX-AYHJJNSGSA-N	2	0	300.446	3.356	10	30		DGEERP
C=CCOc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1	ZINC000092380905	332127929	/nfs/dbraw/zinc/12/79/29/332127929.db2.gz	DWAXUYJTMAEVME-UHFFFAOYSA-N	2	0	302.462	3.415	10	30		DGEERP
C[C@H](C#N)Oc1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cc1	ZINC000119889298	621747414	/nfs/dbraw/zinc/74/74/14/621747414.db2.gz	NABCXXVJYVNMIP-FAEJEUNOSA-N	2	0	315.461	3.187	10	30		DGEERP
C[C@@H](C#N)Oc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1	ZINC000174599157	533162292	/nfs/dbraw/zinc/16/22/92/533162292.db2.gz	BEGASRGUWNFSEB-MIGBEJBISA-N	2	0	313.445	3.082	10	30		DGEERP
C[C@H](C#N)Oc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1	ZINC000174599169	228292539	/nfs/dbraw/zinc/29/25/39/228292539.db2.gz	BEGASRGUWNFSEB-CCNLRDMRSA-N	2	0	313.445	3.082	10	30		DGEERP
CCCCCCCCC[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000192013333	432324261	/nfs/dbraw/zinc/32/42/61/432324261.db2.gz	MSKWBTASEPMZPA-LJQANCHMSA-N	2	0	309.542	3.449	10	30		DGEERP
C=CC[C@@H](C)[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000414292879	433517403	/nfs/dbraw/zinc/51/74/03/433517403.db2.gz	BATPWDOBLDDVHM-MSOLQXFVSA-N	2	0	316.489	3.204	10	30		DGEERP
C=CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1	ZINC000355209772	433538605	/nfs/dbraw/zinc/53/86/05/433538605.db2.gz	KENZSAUTGJSPCP-IEBWSBKVSA-N	2	0	300.446	3.168	10	30		DGEERP
C=CCC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccco1	ZINC000423509673	434466925	/nfs/dbraw/zinc/46/69/25/434466925.db2.gz	LTYWZGPKLYVJDO-DAWZGUTISA-N	2	0	317.477	3.093	10	30		DGEERP
C=CCOc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1	ZINC000353221322	526886111	/nfs/dbraw/zinc/88/61/11/526886111.db2.gz	FKGYHKSUTNKACK-UHFFFAOYSA-N	2	0	320.502	3.168	10	30		DGEERP
C#CCCOc1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cc1	ZINC000119984957	621757952	/nfs/dbraw/zinc/75/79/52/621757952.db2.gz	JOKPUADRNZXKDO-UHFFFAOYSA-N	2	0	314.473	3.299	10	30		DGEERP
C=CCCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2	ZINC000716727987	661228174	/nfs/dbraw/zinc/22/81/74/661228174.db2.gz	NVQUKGDNSPBZQO-UFYCRDLUSA-N	2	0	314.473	3.222	10	30		DGEERP
CCC[NH+]1CCC(CNC(=[NH2+])N[C@@H](C)CCCC(C)C)CC1	ZINC000303870713	657568259	/nfs/dbraw/zinc/56/82/59/657568259.db2.gz	FKUFMHIBXOHGNC-INIZCTEOSA-N	2	0	310.530	3.228	10	30		DGEERP
CC(C)Oc1ccc(NC(=[NH2+])NCC[N@@H+]2CCCC[C@@H]2C)cc1	ZINC000303910378	657578258	/nfs/dbraw/zinc/57/82/58/657578258.db2.gz	YUWAJWKIIWVUNT-HNNXBMFYSA-N	2	0	318.465	3.075	10	30		DGEERP
C=CCC[C@H](CC)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000414310872	433533580	/nfs/dbraw/zinc/53/35/80/433533580.db2.gz	UGPJWKZDOKPTSK-IBGZPJMESA-N	2	0	316.489	3.348	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000424294318	434681537	/nfs/dbraw/zinc/68/15/37/434681537.db2.gz	KNTBFNDLMYYKAI-MDNKFWRPSA-N	2	0	314.473	3.078	10	30		DGEERP
C=CC(C)(C)CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000530206722	435044046	/nfs/dbraw/zinc/04/40/46/435044046.db2.gz	BJQLTAWQDLXPRO-APWZRJJASA-N	2	0	300.446	3.434	10	30		DGEERP
C=CCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000543755228	341057169	/nfs/dbraw/zinc/05/71/69/341057169.db2.gz	SWBLRARBPAHRSP-FUHWJXTLSA-N	2	0	304.503	3.406	10	30		DGEERP
C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1	ZINC000415038511	526865528	/nfs/dbraw/zinc/86/55/28/526865528.db2.gz	HVXNTYLCAIMRLS-PKOBYXMFSA-N	2	0	300.446	3.215	10	30		DGEERP
CCCCCCCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000158035266	528127835	/nfs/dbraw/zinc/12/78/35/528127835.db2.gz	TYKASRPCFQQBGB-LJQANCHMSA-N	2	0	309.542	3.449	10	30		DGEERP
CCC[NH+]1CCC(CNC(=[NH2+])Nc2cccc(CC)c2)CC1	ZINC000303863922	657568597	/nfs/dbraw/zinc/56/85/97/657568597.db2.gz	ARXMYHGEJJTQQM-UHFFFAOYSA-N	2	0	302.466	3.098	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1	ZINC000303905470	657576542	/nfs/dbraw/zinc/57/65/42/657576542.db2.gz	VQAULXINGQXVPG-GOSISDBHSA-N	2	0	316.493	3.478	10	30		DGEERP
C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(C#N)o2)CC1	ZINC000093006787	193193168	/nfs/dbraw/zinc/19/31/68/193193168.db2.gz	FLJXGOYGSZZANH-UHFFFAOYSA-N	2	0	323.440	3.495	10	30		DGEERP
Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccccc2)cc1C#N	ZINC000367490927	434549176	/nfs/dbraw/zinc/54/91/76/434549176.db2.gz	YQEOATJOMBKYAI-UYAOXDASSA-N	2	0	322.456	3.069	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1	ZINC000424290745	434681066	/nfs/dbraw/zinc/68/10/66/434681066.db2.gz	CCLPEEJVQMAFLL-DKKFBQAASA-N	2	0	306.494	3.210	10	30		DGEERP
C=CC[NH+](CC=C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C(C)C	ZINC000566669348	435287483	/nfs/dbraw/zinc/28/74/83/435287483.db2.gz	CELUHHXSCBWOBW-ZGXWSNOMSA-N	2	0	319.537	3.147	10	30		DGEERP
C=CC(C)(C)CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000530206723	340782549	/nfs/dbraw/zinc/78/25/49/340782549.db2.gz	BJQLTAWQDLXPRO-LPHOPBHVSA-N	2	0	300.446	3.434	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1	ZINC000424296898	527498123	/nfs/dbraw/zinc/49/81/23/527498123.db2.gz	POJOTQBHYNMEKF-DKKFBQAASA-N	2	0	306.494	3.210	10	30		DGEERP
CCCCCCNC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000303769055	657561182	/nfs/dbraw/zinc/56/11/82/657561182.db2.gz	ATCRTEZVJUTJJP-UHFFFAOYSA-N	2	0	316.493	3.267	10	30		DGEERP
CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@@H](C)C#N)cc2)[C@H](C)C1	ZINC000093638961	662357533	/nfs/dbraw/zinc/35/75/33/662357533.db2.gz	NRMLCKCUYBSXSU-GJYPPUQNSA-N	2	0	315.461	3.140	10	30		DGEERP
C=CCN1CCC([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)CC1	ZINC000237846839	1202714540	/nfs/dbraw/zinc/71/45/40/1202714540.db2.gz	FKUPXETZDKKBDB-UHFFFAOYSA-N	2	0	324.472	3.229	10	30		DGEERP
C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](CNc2ccccn2)C1	ZINC000189896010	432102312	/nfs/dbraw/zinc/10/23/12/432102312.db2.gz	SIEVJKZASFFMHE-NVXWUHKLSA-N	2	0	306.413	3.448	10	30		DGEERP
C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000414292880	433515121	/nfs/dbraw/zinc/51/51/21/433515121.db2.gz	BATPWDOBLDDVHM-QZTJIDSGSA-N	2	0	316.489	3.204	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000424294315	434681360	/nfs/dbraw/zinc/68/13/60/434681360.db2.gz	KNTBFNDLMYYKAI-FFGOWVMKSA-N	2	0	314.473	3.078	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000424295477	434683993	/nfs/dbraw/zinc/68/39/93/434683993.db2.gz	MVBMSBCZZRRHSF-FFGOWVMKSA-N	2	0	314.473	3.078	10	30		DGEERP
C=CC[C@@H](C)[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1	ZINC000152190006	333641823	/nfs/dbraw/zinc/64/18/23/333641823.db2.gz	PYKNOCBTHCXJGO-QGZVFWFLSA-N	2	0	301.478	3.273	10	30		DGEERP
C=CCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000543755223	341057129	/nfs/dbraw/zinc/05/71/29/341057129.db2.gz	SWBLRARBPAHRSP-AEFFLSMTSA-N	2	0	304.503	3.406	10	30		DGEERP
CC[N@@H+]1CC[C@@H](N(C)CC#Cc2ccc(Cl)cc2)[C@H](C)C1	ZINC000079461980	341259371	/nfs/dbraw/zinc/25/93/71/341259371.db2.gz	FFTXYXMPGHLVSP-CRAIPNDOSA-N	2	0	304.865	3.354	10	30		DGEERP
C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1	ZINC000415038699	526898348	/nfs/dbraw/zinc/89/83/48/526898348.db2.gz	IFRZGOJGVADADF-PKOBYXMFSA-N	2	0	300.446	3.215	10	30		DGEERP
CC(C)[N@H+](C)Cc1ccccc1CNC(=[NH2+])NC1CCCCC1	ZINC000104162921	627411277	/nfs/dbraw/zinc/41/12/77/627411277.db2.gz	GDHCBXZCHLWFBM-UHFFFAOYSA-N	2	0	316.493	3.264	10	30		DGEERP
C=CCN(CC=C)[C@@H](CNC(=[NH2+])Nc1cccc(C)c1)C(C)C	ZINC000303881707	657571930	/nfs/dbraw/zinc/57/19/30/657571930.db2.gz	HUCWPHTVMWAURD-SFHVURJKSA-N	2	0	314.477	3.420	10	30		DGEERP
C=C(Br)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1	ZINC000180661963	659966922	/nfs/dbraw/zinc/96/69/22/659966922.db2.gz	ZTSTUSGSJXMKOC-GFCCVEGCSA-N	2	0	306.207	3.432	10	30		DGEERP
CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@@H](C)C#N)cc2)[C@@H](C)C1	ZINC000245750092	662240298	/nfs/dbraw/zinc/24/02/98/662240298.db2.gz	NRMLCKCUYBSXSU-BXWFABGCSA-N	2	0	315.461	3.140	10	30		DGEERP
C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](CNc2ccccn2)C1	ZINC000189895997	432103242	/nfs/dbraw/zinc/10/32/42/432103242.db2.gz	SIEVJKZASFFMHE-DOTOQJQBSA-N	2	0	306.413	3.448	10	30		DGEERP
Cc1cc(C)cc(NC(=[NH2+])NC2CC([NH+]3CCCCC3)C2)c1	ZINC000262457731	432485505	/nfs/dbraw/zinc/48/55/05/432485505.db2.gz	LNCMGKMTGYHBCX-UHFFFAOYSA-N	2	0	300.450	3.047	10	30		DGEERP
CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCCC(C)(C)C#N)C1	ZINC000195299659	432617057	/nfs/dbraw/zinc/61/70/57/432617057.db2.gz	MTKYCAVGWLDCJL-GOSISDBHSA-N	2	0	314.477	3.165	10	30		DGEERP
C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(C#N)cc1F	ZINC000447569983	433230753	/nfs/dbraw/zinc/23/07/53/433230753.db2.gz	FCHCPEWWALJUOY-CYBMUJFWSA-N	2	0	301.409	3.222	10	30		DGEERP
C=CC[C@H](C)[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000414292884	433518059	/nfs/dbraw/zinc/51/80/59/433518059.db2.gz	BATPWDOBLDDVHM-ZWKOTPCHSA-N	2	0	316.489	3.204	10	30		DGEERP
C=CCOc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1	ZINC000424369833	434713713	/nfs/dbraw/zinc/71/37/13/434713713.db2.gz	BQTQUECUTASPRR-MRXNPFEDSA-N	2	0	300.446	3.215	10	30		DGEERP
CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1	ZINC000512650205	435363193	/nfs/dbraw/zinc/36/31/93/435363193.db2.gz	XUJYMRGSOSXVOF-AWEZNQCLSA-N	2	0	303.425	3.470	10	30		DGEERP
CC[N@@H+]1CC[C@H](N(C)CC#Cc2ccc(Cl)cc2)[C@H](C)C1	ZINC000079461977	341259442	/nfs/dbraw/zinc/25/94/42/341259442.db2.gz	FFTXYXMPGHLVSP-QAPCUYQASA-N	2	0	304.865	3.354	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1	ZINC000303899917	657577412	/nfs/dbraw/zinc/57/74/12/657577412.db2.gz	WJBUTXDDTHUSKN-MAUKXSAKSA-N	2	0	302.466	3.232	10	30		DGEERP
Cc1ccc(NC(=[NH2+])NCC[N@@H+](C)C2CCCCC2)cc1C	ZINC000303911250	657578813	/nfs/dbraw/zinc/57/88/13/657578813.db2.gz	ZJHGDABTSBSAPQ-UHFFFAOYSA-N	2	0	302.466	3.295	10	30		DGEERP
C=C(Br)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1	ZINC000180661941	659966559	/nfs/dbraw/zinc/96/65/59/659966559.db2.gz	ZTSTUSGSJXMKOC-LBPRGKRZSA-N	2	0	306.207	3.432	10	30		DGEERP
C#CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1	ZINC000245695102	662238360	/nfs/dbraw/zinc/23/83/60/662238360.db2.gz	CEYMSMKWTPPUSF-PXNSSMCTSA-N	2	0	314.473	3.251	10	30		DGEERP
C=CCC[C@@H](CC)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000120631442	1200163079	/nfs/dbraw/zinc/16/30/79/1200163079.db2.gz	AEZSDHJSZTTWRD-WOJBJXKFSA-N	2	0	316.489	3.478	10	30		DGEERP
Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cc(C#N)cs3)C2)[nH+]1	ZINC000092813381	185343257	/nfs/dbraw/zinc/34/32/57/185343257.db2.gz	BHTXCKGQCNTSFI-AWEZNQCLSA-N	2	0	312.442	3.257	10	30		DGEERP
Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)[nH+]1	ZINC000128281767	431991398	/nfs/dbraw/zinc/99/13/98/431991398.db2.gz	VOBFFNWOBXHCCA-AWEZNQCLSA-N	2	0	312.442	3.257	10	30		DGEERP
C=CCC[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000453336260	433099776	/nfs/dbraw/zinc/09/97/76/433099776.db2.gz	AZFCGMSFJGRCAT-YSTOQKLRSA-N	2	0	314.473	3.099	10	30		DGEERP
C=CCCC[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000542593067	341014900	/nfs/dbraw/zinc/01/49/00/341014900.db2.gz	MGQSBKWILCUFBK-SFHVURJKSA-N	2	0	307.526	3.081	10	30		DGEERP
[NH2+]=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC1CCCCC1	ZINC000303787116	657564151	/nfs/dbraw/zinc/56/41/51/657564151.db2.gz	SCMMBYWSDKZUJR-GOSISDBHSA-N	2	0	314.477	3.061	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1	ZINC000303899912	657576492	/nfs/dbraw/zinc/57/64/92/657576492.db2.gz	WJBUTXDDTHUSKN-CRAIPNDOSA-N	2	0	302.466	3.232	10	30		DGEERP
C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])Nc1cccc2c1CCCC2	ZINC000304641807	657640847	/nfs/dbraw/zinc/64/08/47/657640847.db2.gz	CRIHSNBQKFZZLR-HNNXBMFYSA-N	2	0	314.477	3.166	10	30		DGEERP
CCc1cccc(NC(=[NH2+])NCC[N@H+](C)C2CCCCC2)c1	ZINC000303907680	657699017	/nfs/dbraw/zinc/69/90/17/657699017.db2.gz	XAMYBTYWVXCYSG-UHFFFAOYSA-N	2	0	302.466	3.240	10	30		DGEERP
C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1	ZINC000093638621	431916076	/nfs/dbraw/zinc/91/60/76/431916076.db2.gz	ZQIUSMJIZLVOLN-APWZRJJASA-N	2	0	302.462	3.414	10	30		DGEERP
CCCCCCCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000158035116	432635948	/nfs/dbraw/zinc/63/59/48/432635948.db2.gz	TYKASRPCFQQBGB-IBGZPJMESA-N	2	0	309.542	3.449	10	30		DGEERP
C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(C#N)cc1F	ZINC000447569984	433232339	/nfs/dbraw/zinc/23/23/39/433232339.db2.gz	FCHCPEWWALJUOY-ZDUSSCGKSA-N	2	0	301.409	3.222	10	30		DGEERP
C=CC[C@H](C)[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000414292882	433517371	/nfs/dbraw/zinc/51/73/71/433517371.db2.gz	BATPWDOBLDDVHM-ROUUACIJSA-N	2	0	316.489	3.204	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1	ZINC000424296901	434683904	/nfs/dbraw/zinc/68/39/04/434683904.db2.gz	POJOTQBHYNMEKF-JFRXWTBNSA-N	2	0	306.494	3.210	10	30		DGEERP
C=CC(C)(C)CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000530206724	435043883	/nfs/dbraw/zinc/04/38/83/435043883.db2.gz	BJQLTAWQDLXPRO-QFBILLFUSA-N	2	0	300.446	3.434	10	30		DGEERP
C=CC[NH+](CC=C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C(C)C	ZINC000566669345	435288094	/nfs/dbraw/zinc/28/80/94/435288094.db2.gz	CELUHHXSCBWOBW-UAFMIMERSA-N	2	0	319.537	3.147	10	30		DGEERP
C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(CC#N)cc1	ZINC000399012579	337313507	/nfs/dbraw/zinc/31/35/07/337313507.db2.gz	CHTJNKCKKIAXST-DYESRHJHSA-N	2	0	319.452	3.363	10	30		DGEERP
C[NH+](C)CC1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1	ZINC000735310010	574696837	/nfs/dbraw/zinc/69/68/37/574696837.db2.gz	YAZBSUKPDHNCFG-UHFFFAOYSA-N	2	0	321.852	3.016	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCCCC[N@H+]2CCC[C@H](C)C2)c1	ZINC000104169895	617962804	/nfs/dbraw/zinc/96/28/04/617962804.db2.gz	UGFGYQSLHQOPSE-INIZCTEOSA-N	2	0	302.466	3.234	10	30		DGEERP
C=C(C)COCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2	ZINC000716733948	661227893	/nfs/dbraw/zinc/22/78/93/661227893.db2.gz	QZDVHCIDJHNLHT-UFYCRDLUSA-N	2	0	314.473	3.222	10	30		DGEERP
CC[NH+](CC)Cc1ccc(CNC(=[NH2+])NC2CCCCC2)cc1	ZINC000303781662	657562133	/nfs/dbraw/zinc/56/21/33/657562133.db2.gz	MOIYPFMTXHAMHL-UHFFFAOYSA-N	2	0	316.493	3.265	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1	ZINC000303879688	657570096	/nfs/dbraw/zinc/57/00/96/657570096.db2.gz	JUCJRECXLOSZBH-HZPDHXFCSA-N	2	0	316.493	3.478	10	30		DGEERP
C[C@H](CCNC(=[NH2+])NC1CCCCC1)[N@H+](C)Cc1ccccc1	ZINC000304490561	657635787	/nfs/dbraw/zinc/63/57/87/657635787.db2.gz	LNWYLAKZXOCUFK-MRXNPFEDSA-N	2	0	316.493	3.134	10	30		DGEERP
Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)[nH+]1	ZINC000192034530	432325502	/nfs/dbraw/zinc/32/55/02/432325502.db2.gz	NMMFMQLLXRPXRP-INIZCTEOSA-N	2	0	324.403	3.335	10	30		DGEERP
C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(CC#N)cc1	ZINC000399012580	337313442	/nfs/dbraw/zinc/31/34/42/337313442.db2.gz	CHTJNKCKKIAXST-LAUBAEHRSA-N	2	0	319.452	3.363	10	30		DGEERP
C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])Nc1cccc2c1CCCC2	ZINC000304641809	657640928	/nfs/dbraw/zinc/64/09/28/657640928.db2.gz	CRIHSNBQKFZZLR-OAHLLOKOSA-N	2	0	314.477	3.166	10	30		DGEERP
C[C@H]([NH2+]C(C)(C)CNC(=[NH2+])NC1CCCCC1)c1ccccc1	ZINC000304763679	657650649	/nfs/dbraw/zinc/65/06/49/657650649.db2.gz	XCVLTGBGANNVLH-HNNXBMFYSA-N	2	0	316.493	3.353	10	30		DGEERP
C=CCN1CCC([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1	ZINC000236647453	1202616550	/nfs/dbraw/zinc/61/65/50/1202616550.db2.gz	YQLCJDZZWXHWHF-UHFFFAOYSA-N	2	0	317.433	3.458	10	30		DGEERP
C=CCCOCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1	ZINC000449202017	240065626	/nfs/dbraw/zinc/06/56/26/240065626.db2.gz	FMQDMNJUXDZXAJ-SFHVURJKSA-N	2	0	316.489	3.264	10	30		DGEERP
Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)[nH+]1	ZINC000119542434	431703674	/nfs/dbraw/zinc/70/36/74/431703674.db2.gz	ANZQDUUFLKTHEO-MRXNPFEDSA-N	2	0	324.403	3.335	10	30		DGEERP
CCCCCCCCC[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000192013326	432323689	/nfs/dbraw/zinc/32/36/89/432323689.db2.gz	MSKWBTASEPMZPA-IBGZPJMESA-N	2	0	309.542	3.449	10	30		DGEERP
C=CC[NH+]1CCC(Nc2cc[nH+]c3cc(F)c(OC)cc23)CC1	ZINC000280831619	433191808	/nfs/dbraw/zinc/19/18/08/433191808.db2.gz	ZEOPQZKOVYWKBE-UHFFFAOYSA-N	2	0	315.392	3.445	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000424295482	434684136	/nfs/dbraw/zinc/68/41/36/434684136.db2.gz	MVBMSBCZZRRHSF-LEAZDLGRSA-N	2	0	314.473	3.078	10	30		DGEERP
C=CCCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1	ZINC000576190105	341832062	/nfs/dbraw/zinc/83/20/62/341832062.db2.gz	JWXUCKHFEREAKG-UHFFFAOYSA-N	2	0	307.869	3.148	10	30		DGEERP
CC[N@H+](C)Cc1cccc(CNC(=[NH2+])Nc2cccc(C)c2)c1	ZINC000104178389	617962778	/nfs/dbraw/zinc/96/27/78/617962778.db2.gz	MQLRJBGZBQUVBH-UHFFFAOYSA-N	2	0	310.445	3.374	10	30		DGEERP
CCC[NH+]1CCC(CNC(=[NH2+])N[C@H](C)CCCC(C)C)CC1	ZINC000303870714	657567764	/nfs/dbraw/zinc/56/77/64/657567764.db2.gz	FKUFMHIBXOHGNC-MRXNPFEDSA-N	2	0	310.530	3.228	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1	ZINC000157400029	659056987	/nfs/dbraw/zinc/05/69/87/659056987.db2.gz	NIBIEOJSJOPCOD-MRXNPFEDSA-N	2	0	302.466	3.090	10	30		DGEERP
C#CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1	ZINC000245695097	662238391	/nfs/dbraw/zinc/23/83/91/662238391.db2.gz	CEYMSMKWTPPUSF-FXAWDEMLSA-N	2	0	314.473	3.251	10	30		DGEERP
C=CC[NH+](CC=C)[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C	ZINC000623355418	401497906	/nfs/dbraw/zinc/49/79/06/401497906.db2.gz	MMTKJLBBERYUJD-QZTJIDSGSA-N	2	0	307.526	3.147	10	30		DGEERP
C=CCCC[C@@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000420985515	433367261	/nfs/dbraw/zinc/36/72/61/433367261.db2.gz	WCNHJQQYHMABAI-GOSISDBHSA-N	2	0	307.526	3.223	10	30		DGEERP
C=CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1	ZINC000355209774	433538031	/nfs/dbraw/zinc/53/80/31/433538031.db2.gz	KENZSAUTGJSPCP-PKOBYXMFSA-N	2	0	300.446	3.168	10	30		DGEERP
C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(C#N)cc2F)CC1	ZINC000512649775	435363901	/nfs/dbraw/zinc/36/39/01/435363901.db2.gz	UHAJIBHSBDAYLM-CQSZACIVSA-N	2	0	301.409	3.388	10	30		DGEERP
C=CCCC[C@@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000536994651	435422147	/nfs/dbraw/zinc/42/21/47/435422147.db2.gz	KLYGTGBBADMHBL-QRVBRYPASA-N	2	0	307.526	3.222	10	30		DGEERP
C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1	ZINC000415038510	526866109	/nfs/dbraw/zinc/86/61/09/526866109.db2.gz	HVXNTYLCAIMRLS-MJGOQNOKSA-N	2	0	300.446	3.215	10	30		DGEERP
CC(C)Oc1ccc(NC(=[NH2+])NCC[N@@H+]2CCCC[C@H]2C)cc1	ZINC000303910380	657578195	/nfs/dbraw/zinc/57/81/95/657578195.db2.gz	YUWAJWKIIWVUNT-OAHLLOKOSA-N	2	0	318.465	3.075	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1	ZINC000303907247	657579134	/nfs/dbraw/zinc/57/91/34/657579134.db2.gz	WTIROXRDVLOPHH-HZPDHXFCSA-N	2	0	302.466	3.090	10	30		DGEERP
C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1OC	ZINC000634732348	401340611	/nfs/dbraw/zinc/34/06/11/401340611.db2.gz	DLAXXNAXBOIQPJ-MRXNPFEDSA-N	2	0	318.461	3.128	10	30		DGEERP
CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Cl)cc2C#N)[C@H](C)C1	ZINC000187268793	165083344	/nfs/dbraw/zinc/08/33/44/165083344.db2.gz	QNROQMQWWBVMEU-DYVFJYSZSA-N	2	0	305.853	3.374	10	30		DGEERP
Cc1ccc(NC(=[NH2+])NC2CC([NH+]3CCCCC3)C2)cc1C	ZINC000262506084	228645048	/nfs/dbraw/zinc/64/50/48/228645048.db2.gz	ZUKDERXYZMBXTL-UHFFFAOYSA-N	2	0	300.450	3.047	10	30		DGEERP
C=CCC[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000453336247	433100349	/nfs/dbraw/zinc/10/03/49/433100349.db2.gz	AZFCGMSFJGRCAT-HAGHYFMRSA-N	2	0	314.473	3.099	10	30		DGEERP
C=CCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1	ZINC000565117624	435277765	/nfs/dbraw/zinc/27/77/65/435277765.db2.gz	VRRYFWRTFHAEDN-HKUYNNGSSA-N	2	0	300.446	3.168	10	30		DGEERP
C=CCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000543755230	341057095	/nfs/dbraw/zinc/05/70/95/341057095.db2.gz	SWBLRARBPAHRSP-SJLPKXTDSA-N	2	0	304.503	3.406	10	30		DGEERP
CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])NC1CCCCC1	ZINC000104158018	627411436	/nfs/dbraw/zinc/41/14/36/627411436.db2.gz	WOIGHOMGGWIMNI-UHFFFAOYSA-N	2	0	316.493	3.265	10	30		DGEERP
CCC[NH+]1CCC(CNC(=[NH2+])Nc2ccc(C)c(C)c2)CC1	ZINC000303881378	657571715	/nfs/dbraw/zinc/57/17/15/657571715.db2.gz	KVXNURFBDVWOTK-UHFFFAOYSA-N	2	0	302.466	3.152	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCCC[N@@H+]2CCc3ccccc3C2)c1	ZINC000303888919	657573306	/nfs/dbraw/zinc/57/33/06/657573306.db2.gz	LQVXNASXMYKAPY-UHFFFAOYSA-N	2	0	322.456	3.170	10	30		DGEERP
C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(C#N)s1	ZINC000181476226	432130493	/nfs/dbraw/zinc/13/04/93/432130493.db2.gz	RGVPOCIRCMVOSM-LBPRGKRZSA-N	2	0	309.398	3.051	10	30		DGEERP
C=CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1	ZINC000092043062	400149150	/nfs/dbraw/zinc/14/91/50/400149150.db2.gz	KENZSAUTGJSPCP-HKUYNNGSSA-N	2	0	300.446	3.168	10	30		DGEERP
CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C1	ZINC000190476378	432160671	/nfs/dbraw/zinc/16/06/71/432160671.db2.gz	ZPUIYOUTPZGGRG-SFHVURJKSA-N	2	0	314.477	3.165	10	30		DGEERP
C=CC[C@H](C)[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1	ZINC000152189918	432312152	/nfs/dbraw/zinc/31/21/52/432312152.db2.gz	PYKNOCBTHCXJGO-KRWDZBQOSA-N	2	0	301.478	3.273	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000453341770	433105181	/nfs/dbraw/zinc/10/51/81/433105181.db2.gz	CUDRSCYFGHZUET-OBKDMQGPSA-N	2	0	312.457	3.115	10	30		DGEERP
C=CCCC[C@@H](C)[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1	ZINC000425990713	433394605	/nfs/dbraw/zinc/39/46/05/433394605.db2.gz	OGISRPCEMJDWFZ-QUCCMNQESA-N	2	0	316.489	3.300	10	30		DGEERP
C=CCOCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1	ZINC000367374669	434547113	/nfs/dbraw/zinc/54/71/13/434547113.db2.gz	KYBNDYKIZWTEGK-UHFFFAOYSA-N	2	0	302.462	3.222	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1	ZINC000424290744	434681425	/nfs/dbraw/zinc/68/14/25/434681425.db2.gz	CCLPEEJVQMAFLL-CAMMJAKZSA-N	2	0	306.494	3.210	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000424295484	434683502	/nfs/dbraw/zinc/68/35/02/434683502.db2.gz	MVBMSBCZZRRHSF-MDNKFWRPSA-N	2	0	314.473	3.078	10	30		DGEERP
C=CCOc1ccccc1C[NH+]1CCC(CC[NH+](C)C)CC1	ZINC000092381111	332127826	/nfs/dbraw/zinc/12/78/26/332127826.db2.gz	GSQQZMTZNARPJM-UHFFFAOYSA-N	2	0	302.462	3.415	10	30		DGEERP
C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1	ZINC000415038693	526898336	/nfs/dbraw/zinc/89/83/36/526898336.db2.gz	IFRZGOJGVADADF-IEBWSBKVSA-N	2	0	300.446	3.215	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCCCC[NH+]2CCC(C)CC2)c1	ZINC000303872147	657568508	/nfs/dbraw/zinc/56/85/08/657568508.db2.gz	BUMSOEDAXOCRPP-UHFFFAOYSA-N	2	0	302.466	3.234	10	30		DGEERP
C[N@H+](CCNC(=[NH2+])Nc1ccc2c(c1)CCC2)C1CCCCC1	ZINC000303889501	657573617	/nfs/dbraw/zinc/57/36/17/657573617.db2.gz	LYJIDHMRJFWZDI-UHFFFAOYSA-N	2	0	314.477	3.166	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1	ZINC000303899447	657575592	/nfs/dbraw/zinc/57/55/92/657575592.db2.gz	WCZFFYGFANKBID-HNNXBMFYSA-N	2	0	302.466	3.232	10	30		DGEERP
C[NH+](C)Cc1cc(C[NH2+]Cc2cc(C#N)cs2)ccc1F	ZINC000177702291	432652819	/nfs/dbraw/zinc/65/28/19/432652819.db2.gz	HVCXVZKWGRNOCP-UHFFFAOYSA-N	2	0	303.406	3.110	10	30		DGEERP
N#CCCCOc1cccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)c1	ZINC000188413559	432723872	/nfs/dbraw/zinc/72/38/72/432723872.db2.gz	FNZYFLPIVFFOIY-SFHVURJKSA-N	2	0	324.428	3.230	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000424295480	434682351	/nfs/dbraw/zinc/68/23/51/434682351.db2.gz	MVBMSBCZZRRHSF-GTAWCEEGSA-N	2	0	314.473	3.078	10	30		DGEERP
C=CC(C)(C)CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000530206725	435043829	/nfs/dbraw/zinc/04/38/29/435043829.db2.gz	BJQLTAWQDLXPRO-VQIMIIECSA-N	2	0	300.446	3.434	10	30		DGEERP
C=CCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1	ZINC000565117628	435278051	/nfs/dbraw/zinc/27/80/51/435278051.db2.gz	VRRYFWRTFHAEDN-PKOBYXMFSA-N	2	0	300.446	3.168	10	30		DGEERP
CC[NH+](CC)CC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1	ZINC000731213008	574545564	/nfs/dbraw/zinc/54/55/64/574545564.db2.gz	ZHNGTAWBJSMPQO-UHFFFAOYSA-N	2	0	315.461	3.143	10	30		DGEERP
CC(C)CCNC(=[NH2+])NCc1ccccc1C[NH+]1CCCCC1	ZINC000303783051	657562125	/nfs/dbraw/zinc/56/21/25/657562125.db2.gz	NVBBMPVAMSROLY-UHFFFAOYSA-N	2	0	316.493	3.123	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1	ZINC000303879689	657569833	/nfs/dbraw/zinc/56/98/33/657569833.db2.gz	JUCJRECXLOSZBH-IYBDPMFKSA-N	2	0	316.493	3.478	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1	ZINC000303901645	657577545	/nfs/dbraw/zinc/57/75/45/657577545.db2.gz	SUTZPMZKBUXVAJ-CALCHBBNSA-N	2	0	316.493	3.480	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1	ZINC000303907249	657579195	/nfs/dbraw/zinc/57/91/95/657579195.db2.gz	WTIROXRDVLOPHH-IYBDPMFKSA-N	2	0	302.466	3.090	10	30		DGEERP
C=CCC[C@H](CC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000120641081	1200163503	/nfs/dbraw/zinc/16/35/03/1200163503.db2.gz	NFGJJCGSLNUXIA-OALUTQOASA-N	2	0	302.462	3.088	10	30		DGEERP
C=CCN1CCC([NH2+]Cc2ccc(OC)c(OCCC)c2)CC1	ZINC000236774220	1202624327	/nfs/dbraw/zinc/62/43/27/1202624327.db2.gz	NWWYRQKVTAFCTB-UHFFFAOYSA-N	2	0	318.461	3.224	10	30		DGEERP
C=C(C)COCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1	ZINC000449189574	240059058	/nfs/dbraw/zinc/05/90/58/240059058.db2.gz	PGUDDGAIRPGAFZ-GOSISDBHSA-N	2	0	316.489	3.264	10	30		DGEERP
CN(Cc1cccnc1)C[C@H]1CC[N@H+](CC(C)(C)CCC#N)C1	ZINC000190476354	432161448	/nfs/dbraw/zinc/16/14/48/432161448.db2.gz	ZPUIYOUTPZGGRG-GOSISDBHSA-N	2	0	314.477	3.165	10	30		DGEERP
C=CCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1	ZINC000245690776	432856284	/nfs/dbraw/zinc/85/62/84/432856284.db2.gz	BITLJLZNDAOOTR-LPHOPBHVSA-N	2	0	302.462	3.414	10	30		DGEERP
C=CCCC[C@@H](C)[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1	ZINC000425990714	433395158	/nfs/dbraw/zinc/39/51/58/433395158.db2.gz	OGISRPCEMJDWFZ-UYAOXDASSA-N	2	0	316.489	3.300	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1	ZINC000424296895	434683647	/nfs/dbraw/zinc/68/36/47/434683647.db2.gz	POJOTQBHYNMEKF-CAMMJAKZSA-N	2	0	306.494	3.210	10	30		DGEERP
Clc1ccc(C#CC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1	ZINC000177116086	534638002	/nfs/dbraw/zinc/63/80/02/534638002.db2.gz	KCERKOUYNLFZJZ-UHFFFAOYSA-N	2	0	316.876	3.499	10	30		DGEERP
C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1	ZINC000415038508	526866127	/nfs/dbraw/zinc/86/61/27/526866127.db2.gz	HVXNTYLCAIMRLS-HKUYNNGSSA-N	2	0	300.446	3.215	10	30		DGEERP
[NH2+]=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC1CCCCC1	ZINC000303787118	657563768	/nfs/dbraw/zinc/56/37/68/657563768.db2.gz	SCMMBYWSDKZUJR-SFHVURJKSA-N	2	0	314.477	3.061	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1	ZINC000303901651	657577527	/nfs/dbraw/zinc/57/75/27/657577527.db2.gz	SUTZPMZKBUXVAJ-IRXDYDNUSA-N	2	0	316.493	3.480	10	30		DGEERP
C=C(C)COCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1	ZINC000449189575	240058945	/nfs/dbraw/zinc/05/89/45/240058945.db2.gz	PGUDDGAIRPGAFZ-SFHVURJKSA-N	2	0	316.489	3.264	10	30		DGEERP
CCCC[C@@H](CC)CNC(=[NH2+])NC(=[NH2+])Nc1ccc(C)cc1	ZINC000017127584	400177043	/nfs/dbraw/zinc/17/70/43/400177043.db2.gz	IYVTWEWYYAYKEF-CQSZACIVSA-N	2	0	303.454	3.462	10	30		DGEERP
C[NH+](C)CCOc1ccc(C[NH2+]CC2CCC(C#N)CC2)cc1	ZINC000619655341	400878676	/nfs/dbraw/zinc/87/86/76/400878676.db2.gz	BJSIBKKNKSSDLH-UHFFFAOYSA-N	2	0	315.461	3.047	10	30		DGEERP
CC[NH+](CC)CC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1	ZINC000361699158	266114070	/nfs/dbraw/zinc/11/40/70/266114070.db2.gz	OUAPJAWVLVRZKR-UHFFFAOYSA-N	2	0	303.425	3.251	10	30		DGEERP
C=CCC[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000453336256	433098654	/nfs/dbraw/zinc/09/86/54/433098654.db2.gz	AZFCGMSFJGRCAT-WTGUMLROSA-N	2	0	314.473	3.099	10	30		DGEERP
C=CCOc1ccccc1C[NH2+]CC1CC[NH+](C2CC2)CC1	ZINC000446884243	433123073	/nfs/dbraw/zinc/12/30/73/433123073.db2.gz	NIAFMMAHSBYMCQ-UHFFFAOYSA-N	2	0	300.446	3.215	10	30		DGEERP
C=CCOc1ccccc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2	ZINC000424372059	434714096	/nfs/dbraw/zinc/71/40/96/434714096.db2.gz	FHFPBGQEEJFRSF-MRXNPFEDSA-N	2	0	300.446	3.215	10	30		DGEERP
C=CCOc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1	ZINC000480933081	435401145	/nfs/dbraw/zinc/40/11/45/435401145.db2.gz	JIJYGXOQVHMQNY-UHFFFAOYSA-N	2	0	302.462	3.463	10	30		DGEERP
CC[NH+](CC)CC1CC[NH+](Cc2cc(C#N)ccc2OC)CC1	ZINC000570153873	435593182	/nfs/dbraw/zinc/59/31/82/435593182.db2.gz	ARGUQIPWAURUNT-UHFFFAOYSA-N	2	0	315.461	3.121	10	30		DGEERP
C=CCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1	ZINC000130482898	341022926	/nfs/dbraw/zinc/02/29/26/341022926.db2.gz	BITLJLZNDAOOTR-APWZRJJASA-N	2	0	302.462	3.414	10	30		DGEERP
C=CCOc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1	ZINC000415038696	526897912	/nfs/dbraw/zinc/89/79/12/526897912.db2.gz	IFRZGOJGVADADF-MJGOQNOKSA-N	2	0	300.446	3.215	10	30		DGEERP
C=CCOc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1	ZINC000415038690	526898121	/nfs/dbraw/zinc/89/81/21/526898121.db2.gz	IFRZGOJGVADADF-HKUYNNGSSA-N	2	0	300.446	3.215	10	30		DGEERP
C#CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1	ZINC000093639254	660537577	/nfs/dbraw/zinc/53/75/77/660537577.db2.gz	CEYMSMKWTPPUSF-XLIONFOSSA-N	2	0	314.473	3.251	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1	ZINC000157399862	659057004	/nfs/dbraw/zinc/05/70/04/659057004.db2.gz	NIBIEOJSJOPCOD-INIZCTEOSA-N	2	0	302.466	3.090	10	30		DGEERP
C=CC[C@@H](CO)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1	ZINC000449210040	240068973	/nfs/dbraw/zinc/06/89/73/240068973.db2.gz	VJVWHHOFZIIXPL-MRXNPFEDSA-N	2	0	310.526	3.440	10	30		DGEERP
C[NH+](C)CCC(C=O)(CC[NH+](C)C)c1cccc2ccccc21	ZINC000001730808	400081555	/nfs/dbraw/zinc/08/15/55/400081555.db2.gz	XEOBCOZTRNTVFP-UHFFFAOYSA-N	2	0	312.457	3.180	10	30		DGEERP
C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(C#N)cc2F)CC1	ZINC000512649774	435362189	/nfs/dbraw/zinc/36/21/89/435362189.db2.gz	UHAJIBHSBDAYLM-AWEZNQCLSA-N	2	0	301.409	3.388	10	30		DGEERP
C=CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1	ZINC000348875545	526860530	/nfs/dbraw/zinc/86/05/30/526860530.db2.gz	KUXHVEUKMIBXAV-JWTNVVGKSA-N	2	0	300.446	3.308	10	30		DGEERP
CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1cccc(C)c1	ZINC000303891479	657573497	/nfs/dbraw/zinc/57/34/97/657573497.db2.gz	QRXOQUQDXAHRPZ-QGZVFWFLSA-N	2	0	302.466	3.376	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1	ZINC000303899449	657575501	/nfs/dbraw/zinc/57/55/01/657575501.db2.gz	WCZFFYGFANKBID-OAHLLOKOSA-N	2	0	302.466	3.232	10	30		DGEERP
C=CC[NH+](CC=C)[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C	ZINC000623355419	401497880	/nfs/dbraw/zinc/49/78/80/401497880.db2.gz	MMTKJLBBERYUJD-ROUUACIJSA-N	2	0	307.526	3.147	10	30		DGEERP
C=CCC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccco1	ZINC000423509672	434466416	/nfs/dbraw/zinc/46/64/16/434466416.db2.gz	LTYWZGPKLYVJDO-ABHNRTSZSA-N	2	0	317.477	3.093	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1	ZINC000424290746	434679629	/nfs/dbraw/zinc/67/96/29/434679629.db2.gz	CCLPEEJVQMAFLL-JFRXWTBNSA-N	2	0	306.494	3.210	10	30		DGEERP
C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(CC#N)cc1	ZINC000399012582	337313512	/nfs/dbraw/zinc/31/35/12/337313512.db2.gz	CHTJNKCKKIAXST-UWJYYQICSA-N	2	0	319.452	3.363	10	30		DGEERP
C=CCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000543755231	341057159	/nfs/dbraw/zinc/05/71/59/341057159.db2.gz	SWBLRARBPAHRSP-WMZOPIPTSA-N	2	0	304.503	3.406	10	30		DGEERP
C=CCOc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1	ZINC000567871123	341637879	/nfs/dbraw/zinc/63/78/79/341637879.db2.gz	RAVGEXNCRWLUDV-SFHVURJKSA-N	2	0	300.446	3.073	10	30		DGEERP
C#CCCCC[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1	ZINC000150737529	620390707	/nfs/dbraw/zinc/39/07/07/620390707.db2.gz	FNYFULSRSOBKCV-UHFFFAOYSA-N	2	0	313.489	3.112	10	30		DGEERP
C#CCCOc1ccc(C[NH2+]CC2CC[NH+](CCC)CC2)cc1	ZINC000113335908	620904615	/nfs/dbraw/zinc/90/46/15/620904615.db2.gz	SREFFBLFCCVJEF-UHFFFAOYSA-N	2	0	314.473	3.300	10	30		DGEERP
CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Cl)cc2C#N)[C@H](C)C1	ZINC000187268814	165082338	/nfs/dbraw/zinc/08/23/38/165082338.db2.gz	QNROQMQWWBVMEU-CXAGYDPISA-N	2	0	305.853	3.374	10	30		DGEERP
C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1	ZINC000093638623	431915412	/nfs/dbraw/zinc/91/54/12/431915412.db2.gz	ZQIUSMJIZLVOLN-VQIMIIECSA-N	2	0	302.462	3.414	10	30		DGEERP
C=CCC[C@@H](CC)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000414310873	433531894	/nfs/dbraw/zinc/53/18/94/433531894.db2.gz	UGPJWKZDOKPTSK-LJQANCHMSA-N	2	0	316.489	3.348	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1	ZINC000424290747	434680919	/nfs/dbraw/zinc/68/09/19/434680919.db2.gz	CCLPEEJVQMAFLL-NEPXVJNWSA-N	2	0	306.494	3.210	10	30		DGEERP
CC1(C#N)CC[NH+](CCCC[NH+]2CCC(C)(C#N)CC2)CC1	ZINC000573035767	434870083	/nfs/dbraw/zinc/87/00/83/434870083.db2.gz	QTMHQNCWMWAOIM-UHFFFAOYSA-N	2	0	302.466	3.018	10	30		DGEERP
C=CCOc1ccc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1	ZINC000536698563	435406800	/nfs/dbraw/zinc/40/68/00/435406800.db2.gz	REZZAKPEBKYXBF-LJQANCHMSA-N	2	0	314.473	3.415	10	30		DGEERP
C=C(C)C[N@@H+](C)Cc1ccccc1N1CC[NH+](CCC)CC1	ZINC000497166885	333194745	/nfs/dbraw/zinc/19/47/45/333194745.db2.gz	WTRWTTPHSUPYMO-UHFFFAOYSA-N	2	0	301.478	3.227	10	30		DGEERP
C=CCOCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2	ZINC000716627750	661225133	/nfs/dbraw/zinc/22/51/33/661225133.db2.gz	URLVGKAUQQSGAU-UFYCRDLUSA-N	2	0	314.473	3.222	10	30		DGEERP
CCC[NH+]1CCC(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1	ZINC000303876261	657570567	/nfs/dbraw/zinc/57/05/67/657570567.db2.gz	IASZEMJODTUZOZ-UHFFFAOYSA-N	2	0	314.477	3.024	10	30		DGEERP
N#Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1	ZINC000174376534	198326838	/nfs/dbraw/zinc/32/68/38/198326838.db2.gz	RHXRWAVEANGAEF-AYHJJNSGSA-N	2	0	321.424	3.436	10	30		DGEERP
C=CCCC[C@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000420985518	433366970	/nfs/dbraw/zinc/36/69/70/433366970.db2.gz	WCNHJQQYHMABAI-SFHVURJKSA-N	2	0	307.526	3.223	10	30		DGEERP
N#CCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1	ZINC000369706498	434599095	/nfs/dbraw/zinc/59/90/95/434599095.db2.gz	KWLSILZETDXHBC-LDLYASANSA-N	2	0	309.457	3.465	10	30		DGEERP
C=C1CC[NH+](Cc2ccccc2N2CC[NH+](CCC)CC2)CC1	ZINC000513502851	340411139	/nfs/dbraw/zinc/41/11/39/340411139.db2.gz	HEQOTSNLPPHASA-UHFFFAOYSA-N	2	0	313.489	3.371	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1	ZINC000449516830	534607506	/nfs/dbraw/zinc/60/75/06/534607506.db2.gz	CQCZKWCTQDLULO-DBVUQKKJSA-N	2	0	314.473	3.015	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1	ZINC000449516829	534607564	/nfs/dbraw/zinc/60/75/64/534607564.db2.gz	CQCZKWCTQDLULO-AHRSYUTCSA-N	2	0	314.473	3.015	10	30		DGEERP
C=CCOc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1	ZINC000355056472	526865775	/nfs/dbraw/zinc/86/57/75/526865775.db2.gz	NARDVSLWWAAPGZ-UHFFFAOYSA-N	2	0	300.446	3.312	10	30		DGEERP
C=CCC[N@@H+](C)Cc1ccccc1N1CC[NH+](CCC)CC1	ZINC000343470944	527323190	/nfs/dbraw/zinc/32/31/90/527323190.db2.gz	OLFCXBHOZZTVCN-UHFFFAOYSA-N	2	0	301.478	3.227	10	30		DGEERP
C#CCOc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1	ZINC000152675717	618001201	/nfs/dbraw/zinc/00/12/01/618001201.db2.gz	IERTVJSGBWVKCL-UHFFFAOYSA-N	2	0	312.457	3.006	10	30		DGEERP
CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1	ZINC000181695644	656100252	/nfs/dbraw/zinc/10/02/52/656100252.db2.gz	CXNIZIVXVASVLF-MRXNPFEDSA-N	2	0	315.461	3.362	10	30		DGEERP
C=C(C)COCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2	ZINC000716733952	661228278	/nfs/dbraw/zinc/22/82/78/661228278.db2.gz	QZDVHCIDJHNLHT-ZCNNSNEGSA-N	2	0	314.473	3.222	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1	ZINC000303899921	657576513	/nfs/dbraw/zinc/57/65/13/657576513.db2.gz	WJBUTXDDTHUSKN-QAPCUYQASA-N	2	0	302.466	3.232	10	30		DGEERP
CC(C)c1cccc(NC(=[NH2+])NCC[N@@H+]2CCCC[C@H]2C)c1	ZINC000303904679	657577488	/nfs/dbraw/zinc/57/74/88/657577488.db2.gz	VDGDFWPXNBAKPO-OAHLLOKOSA-N	2	0	302.466	3.411	10	30		DGEERP
CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1	ZINC000181695623	660015384	/nfs/dbraw/zinc/01/53/84/660015384.db2.gz	CXNIZIVXVASVLF-INIZCTEOSA-N	2	0	315.461	3.362	10	30		DGEERP
C=CCC[C@H](CCC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000120648095	1200162528	/nfs/dbraw/zinc/16/25/28/1200162528.db2.gz	DYEWQOJYQAQNJJ-PMACEKPBSA-N	2	0	316.489	3.478	10	30		DGEERP
C=CCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000453336252	433099842	/nfs/dbraw/zinc/09/98/42/433099842.db2.gz	AZFCGMSFJGRCAT-LWYYNNOASA-N	2	0	314.473	3.099	10	30		DGEERP
C=CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1	ZINC000565117627	435278311	/nfs/dbraw/zinc/27/83/11/435278311.db2.gz	VRRYFWRTFHAEDN-MJGOQNOKSA-N	2	0	300.446	3.168	10	30		DGEERP
C=CCOc1ccccc1C[NH2+]CC1(SC)CC[NH+](C)CC1	ZINC000353206747	526948755	/nfs/dbraw/zinc/94/87/55/526948755.db2.gz	GQOKNYJHYLHFAJ-UHFFFAOYSA-N	2	0	320.502	3.168	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCCC[N@@H+](C)Cc2ccccc2)c1	ZINC000104157412	617962553	/nfs/dbraw/zinc/96/25/53/617962553.db2.gz	SCMUVVMJLUKZTI-UHFFFAOYSA-N	2	0	310.445	3.244	10	30		DGEERP
C=CCOCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2	ZINC000716627751	661225004	/nfs/dbraw/zinc/22/50/04/661225004.db2.gz	URLVGKAUQQSGAU-ZCNNSNEGSA-N	2	0	314.473	3.222	10	30		DGEERP
C=CCCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2	ZINC000716727990	661228104	/nfs/dbraw/zinc/22/81/04/661228104.db2.gz	NVQUKGDNSPBZQO-ZCNNSNEGSA-N	2	0	314.473	3.222	10	30		DGEERP
CC(C)c1cccc(NC(=[NH2+])NCC[N@@H+]2CCCC[C@@H]2C)c1	ZINC000303904677	657577189	/nfs/dbraw/zinc/57/71/89/657577189.db2.gz	VDGDFWPXNBAKPO-HNNXBMFYSA-N	2	0	302.466	3.411	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCCCC[N@H+]2CCCC[C@H]2C)c1	ZINC000303905569	657578915	/nfs/dbraw/zinc/57/89/15/657578915.db2.gz	VRQYOHOTTDMHJC-MRXNPFEDSA-N	2	0	302.466	3.376	10	30		DGEERP
Cc1cccc(NC[C@H]2CC[N@H+](Cc3cc(C#N)cs3)C2)[nH+]1	ZINC000092813382	185343271	/nfs/dbraw/zinc/34/32/71/185343271.db2.gz	BHTXCKGQCNTSFI-CQSZACIVSA-N	2	0	312.442	3.257	10	30		DGEERP
C=CCOc1ccccc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2	ZINC000424372058	434713404	/nfs/dbraw/zinc/71/34/04/434713404.db2.gz	FHFPBGQEEJFRSF-INIZCTEOSA-N	2	0	300.446	3.215	10	30		DGEERP
C=CCCC[C@@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1	ZINC000537036511	435424419	/nfs/dbraw/zinc/42/44/19/435424419.db2.gz	GJKDPYFDALOAHR-GOSISDBHSA-N	2	0	307.526	3.222	10	30		DGEERP
CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(C#N)o2)CC1	ZINC000180792825	323238716	/nfs/dbraw/zinc/23/87/16/323238716.db2.gz	BVSVXDKLAHAFBJ-UHFFFAOYSA-N	2	0	303.450	3.485	10	30		DGEERP
CC[NH+](CC)CC1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1	ZINC000442809251	528094807	/nfs/dbraw/zinc/09/48/07/528094807.db2.gz	JZPZYKWQZXHQOK-UHFFFAOYSA-N	2	0	315.461	3.121	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1	ZINC000303907246	657579240	/nfs/dbraw/zinc/57/92/40/657579240.db2.gz	WTIROXRDVLOPHH-HOTGVXAUSA-N	2	0	302.466	3.090	10	30		DGEERP
CC[NH+](CC)[C@H](C)CNC(=[NH2+])Nc1cccc2c1CCCC2	ZINC000304640204	657641230	/nfs/dbraw/zinc/64/12/30/657641230.db2.gz	CFQJIXCTGDZMAF-CQSZACIVSA-N	2	0	302.466	3.022	10	30		DGEERP
CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@H](C)C#N)cc2)[C@@H](C)C1	ZINC000245750098	662240217	/nfs/dbraw/zinc/24/02/17/662240217.db2.gz	NRMLCKCUYBSXSU-FCEWJHQRSA-N	2	0	315.461	3.140	10	30		DGEERP
Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)[nH+]1	ZINC000119542306	431703920	/nfs/dbraw/zinc/70/39/20/431703920.db2.gz	ANZQDUUFLKTHEO-INIZCTEOSA-N	2	0	324.403	3.335	10	30		DGEERP
C=CCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1	ZINC000245690781	432856455	/nfs/dbraw/zinc/85/64/55/432856455.db2.gz	BITLJLZNDAOOTR-QFBILLFUSA-N	2	0	302.462	3.414	10	30		DGEERP
C=CC[NH+](CC=C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C(C)C	ZINC000566669343	435288910	/nfs/dbraw/zinc/28/89/10/435288910.db2.gz	CELUHHXSCBWOBW-MTQWCTHYSA-N	2	0	319.537	3.147	10	30		DGEERP
C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1	ZINC000415038509	526865853	/nfs/dbraw/zinc/86/58/53/526865853.db2.gz	HVXNTYLCAIMRLS-IEBWSBKVSA-N	2	0	300.446	3.215	10	30		DGEERP
C=CCN(CC=C)[C@H](CNC(=[NH2+])Nc1cccc(C)c1)C(C)C	ZINC000303881704	657571553	/nfs/dbraw/zinc/57/15/53/657571553.db2.gz	HUCWPHTVMWAURD-GOSISDBHSA-N	2	0	314.477	3.420	10	30		DGEERP
C[C@@H]([NH2+]C(C)(C)CNC(=[NH2+])NC1CCCCC1)c1ccccc1	ZINC000304763680	657650087	/nfs/dbraw/zinc/65/00/87/657650087.db2.gz	XCVLTGBGANNVLH-OAHLLOKOSA-N	2	0	316.493	3.353	10	30		DGEERP
[NH2+]=C(NCc1ccc2c[nH+]cn2c1)Nc1cccc2c1CCCC2	ZINC000263182283	658168889	/nfs/dbraw/zinc/16/88/89/658168889.db2.gz	UKCLSJGOIGLTGR-UHFFFAOYSA-N	2	0	319.412	3.140	10	30		DGEERP
C=CCC[C@@H](CC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000120641280	1200162611	/nfs/dbraw/zinc/16/26/11/1200162611.db2.gz	NFGJJCGSLNUXIA-MOPGFXCFSA-N	2	0	302.462	3.088	10	30		DGEERP
C=CCC[C@H](CC)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000120631286	1200163251	/nfs/dbraw/zinc/16/32/51/1200163251.db2.gz	AEZSDHJSZTTWRD-VQTJNVASSA-N	2	0	316.489	3.478	10	30		DGEERP
Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)[nH+]1	ZINC000103474003	432010107	/nfs/dbraw/zinc/01/01/07/432010107.db2.gz	GZRFAJFAWBEDTK-INIZCTEOSA-N	2	0	324.403	3.335	10	30		DGEERP
C=CC[N@@H+](CCCC1CC[NH2+]CC1)Cc1cccc([N+](=O)[O-])c1	ZINC000592476610	400657263	/nfs/dbraw/zinc/65/72/63/400657263.db2.gz	IQLWOOAPVIAUGF-UHFFFAOYSA-N	2	0	317.433	3.363	10	30		DGEERP
C=CC[C@@H]1CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C1	ZINC000625701837	401185527	/nfs/dbraw/zinc/18/55/27/401185527.db2.gz	LQRGPATZGVGDHO-LJQANCHMSA-N	2	0	313.489	3.097	10	30		DGEERP
C=CC[NH+](CC=C)[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C	ZINC000623355420	401498020	/nfs/dbraw/zinc/49/80/20/401498020.db2.gz	MMTKJLBBERYUJD-ZWKOTPCHSA-N	2	0	307.526	3.147	10	30		DGEERP
C=CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1	ZINC000261632634	432437166	/nfs/dbraw/zinc/43/71/66/432437166.db2.gz	FODSVDUQLMSRAN-CTNGQTDRSA-N	2	0	322.452	3.426	10	30		DGEERP
C=CCOc1ccccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1	ZINC000261804722	432453306	/nfs/dbraw/zinc/45/33/06/432453306.db2.gz	WFWDAKMNGXMZHJ-UXHICEINSA-N	2	0	322.452	3.426	10	30		DGEERP
N#CCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1	ZINC000369706499	434598631	/nfs/dbraw/zinc/59/86/31/434598631.db2.gz	KWLSILZETDXHBC-REPLKXPHSA-N	2	0	309.457	3.465	10	30		DGEERP
C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000424294317	434681188	/nfs/dbraw/zinc/68/11/88/434681188.db2.gz	KNTBFNDLMYYKAI-LEAZDLGRSA-N	2	0	314.473	3.078	10	30		DGEERP
C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1	ZINC000536681790	435403451	/nfs/dbraw/zinc/40/34/51/435403451.db2.gz	ZQIUSMJIZLVOLN-QFBILLFUSA-N	2	0	302.462	3.414	10	30		DGEERP
C=CC[N@@H+](CCc1ccco1)Cc1cn(-c2cc[nH+]cc2)nc1C	ZINC000346306004	526326708	/nfs/dbraw/zinc/32/67/08/526326708.db2.gz	CUEXNMCVGQCPTM-UHFFFAOYSA-N	2	0	322.412	3.399	10	30		DGEERP
C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cc1	ZINC000119889168	621747343	/nfs/dbraw/zinc/74/73/43/621747343.db2.gz	NABCXXVJYVNMIP-ZLPCBKJTSA-N	2	0	315.461	3.187	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCCC[N@@H+](C)C2CCCCC2)c1	ZINC000303869417	657568926	/nfs/dbraw/zinc/56/89/26/657568926.db2.gz	AWNIILQNTLLFHT-UHFFFAOYSA-N	2	0	302.466	3.376	10	30		DGEERP
Cc1cccc(NC(=[NH2+])NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1	ZINC000303901648	657577102	/nfs/dbraw/zinc/57/71/02/657577102.db2.gz	SUTZPMZKBUXVAJ-IAGOWNOFSA-N	2	0	316.493	3.480	10	30		DGEERP
C=CCC[C@@H](CCC)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000120648205	1200162480	/nfs/dbraw/zinc/16/24/80/1200162480.db2.gz	DYEWQOJYQAQNJJ-UXHICEINSA-N	2	0	316.489	3.478	10	30		DGEERP