smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1	ZINC000590928188	438969149	/nfs/dbraw/zinc/96/91/49/438969149.db2.gz	LAFZWCXSGPKLDA-WTGUMLROSA-N	2	3	326.488	0.989	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000607232889	439446887	/nfs/dbraw/zinc/44/68/87/439446887.db2.gz	QTXHAKLFPYMPNX-CVEARBPZSA-N	2	3	325.501	0.748	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000607232889	439446891	/nfs/dbraw/zinc/44/68/91/439446891.db2.gz	QTXHAKLFPYMPNX-CVEARBPZSA-N	2	3	325.501	0.748	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1	ZINC000892490017	586269306	/nfs/dbraw/zinc/26/93/06/586269306.db2.gz	OFQDJKKGZSITCU-HNNXBMFYSA-N	2	3	327.517	0.899	20	0		ECADHP
CN1CCC(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1	ZINC000874999380	590261763	/nfs/dbraw/zinc/26/17/63/590261763.db2.gz	WJJAMYKKWGIFBO-HUUCEWRRSA-N	2	3	325.501	0.461	20	0		ECADHP
COCC[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCN(C(=O)CN)C1	ZINC000873215655	590186733	/nfs/dbraw/zinc/18/67/33/590186733.db2.gz	KMEBSFBGKLPJEF-QGZVFWFLSA-N	2	3	340.512	0.474	20	0		ECADHP
COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCN(C(=O)CN)C1	ZINC000873215655	590186735	/nfs/dbraw/zinc/18/67/35/590186735.db2.gz	KMEBSFBGKLPJEF-QGZVFWFLSA-N	2	3	340.512	0.474	20	0		ECADHP
C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCN(C3CC3)C2)C[C@H]1C[NH+](C)C	ZINC000875296200	590291018	/nfs/dbraw/zinc/29/10/18/590291018.db2.gz	UKIJUUQZOOOCBV-OAGGEKHMSA-N	2	3	337.512	0.604	20	0		ECADHP
C[NH+](C)C[C@@H]1CN(C(=O)[C@H](N)Cc2ccccc2)C[C@H]1C[NH+](C)C	ZINC000877143188	590440364	/nfs/dbraw/zinc/44/03/64/590440364.db2.gz	HFMXUSUZRDJRAU-KZNAEPCWSA-N	2	3	332.492	0.754	20	0		ECADHP
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[NH2+]C1	ZINC000418374492	285278304	/nfs/dbraw/zinc/27/83/04/285278304.db2.gz	CSGILZVRBIZWDF-HOTGVXAUSA-N	2	3	325.501	0.796	20	0		ECADHP
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[NH2+]C1	ZINC000418374492	285278307	/nfs/dbraw/zinc/27/83/07/285278307.db2.gz	CSGILZVRBIZWDF-HOTGVXAUSA-N	2	3	325.501	0.796	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1	ZINC000573786887	439666745	/nfs/dbraw/zinc/66/67/45/439666745.db2.gz	UKWODVZTACIOOT-ZWKOTPCHSA-N	2	3	347.507	0.877	20	0		ECADHP
C[NH+](C)C[C@@H]1CN(C(=O)[C@H](CN)c2ccccc2)C[C@H]1C[NH+](C)C	ZINC000877142972	590440200	/nfs/dbraw/zinc/44/02/00/590440200.db2.gz	BLOPZVYOZMRBRY-KZNAEPCWSA-N	2	3	332.492	0.927	20	0		ECADHP
C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2CSCCN2)C[C@H]1C[NH+](C)C	ZINC000877143252	590440283	/nfs/dbraw/zinc/44/02/83/590440283.db2.gz	JIDLONNMHXRCQO-RBSFLKMASA-N	2	3	328.526	0.279	20	0		ECADHP
C[C@H]1[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCN1C	ZINC000925343303	611288486	/nfs/dbraw/zinc/28/84/86/611288486.db2.gz	HKNDANBHFWNYLY-JJXSEGSLSA-N	2	3	325.501	0.460	20	0		ECADHP
NCC(=O)N1CCC[C@H](C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1	ZINC000629673488	440748147	/nfs/dbraw/zinc/74/81/47/440748147.db2.gz	QBTHGCFKZLXLGM-IAGOWNOFSA-N	2	3	338.496	0.274	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2	ZINC000572377135	322743685	/nfs/dbraw/zinc/74/36/85/322743685.db2.gz	MKRKWEUUDFMUFQ-HNNXBMFYSA-N	2	3	348.495	0.855	20	0		ECADHP
CC[NH+]1CCC(N2CCCN(C[C@H](O)C[NH+]3CCCC3)CC2)CC1	ZINC000817286018	587338417	/nfs/dbraw/zinc/33/84/17/587338417.db2.gz	FZQPWZNZIIIGRA-LJQANCHMSA-N	2	3	338.540	0.935	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000583430875	439463003	/nfs/dbraw/zinc/46/30/03/439463003.db2.gz	YCTOQSKCOJIMCF-OWCLPIDISA-N	2	3	325.501	0.509	20	0		ECADHP
NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000650724254	440676276	/nfs/dbraw/zinc/67/62/76/440676276.db2.gz	AYKBPVXTIIFEHX-VQHPVUNQSA-N	2	3	338.496	0.545	20	0		ECADHP
NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)C1	ZINC000650724254	440676281	/nfs/dbraw/zinc/67/62/81/440676281.db2.gz	AYKBPVXTIIFEHX-VQHPVUNQSA-N	2	3	338.496	0.545	20	0		ECADHP
Cc1c(C[C@@H](C[NH3+])CN2CCC(OCC[NH+](C)C)CC2)cnn1C	ZINC000903893857	586823558	/nfs/dbraw/zinc/82/35/58/586823558.db2.gz	ZWWRRFWBKBVBON-INIZCTEOSA-N	2	3	337.512	0.889	20	0		ECADHP
CCN1CCC[C@H]1CNC(=[NH2+])NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000849073133	589319255	/nfs/dbraw/zinc/31/92/55/589319255.db2.gz	MGUVXWZZDOVJGX-GJZGRUSLSA-N	2	3	338.500	0.172	20	0		ECADHP
CCN1CCC[C@H]1CNC(=[NH2+])NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000849073133	589319257	/nfs/dbraw/zinc/31/92/57/589319257.db2.gz	MGUVXWZZDOVJGX-GJZGRUSLSA-N	2	3	338.500	0.172	20	0		ECADHP
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[NH2+]C1	ZINC000418374493	285244859	/nfs/dbraw/zinc/24/48/59/285244859.db2.gz	CSGILZVRBIZWDF-HZPDHXFCSA-N	2	3	325.501	0.796	20	0		ECADHP
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[NH2+]C1	ZINC000418374493	285244860	/nfs/dbraw/zinc/24/48/60/285244860.db2.gz	CSGILZVRBIZWDF-HZPDHXFCSA-N	2	3	325.501	0.796	20	0		ECADHP
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[NH2+]C1	ZINC000418374491	285278567	/nfs/dbraw/zinc/27/85/67/285278567.db2.gz	CSGILZVRBIZWDF-CVEARBPZSA-N	2	3	325.501	0.796	20	0		ECADHP
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[NH2+]C1	ZINC000418374491	285278568	/nfs/dbraw/zinc/27/85/68/285278568.db2.gz	CSGILZVRBIZWDF-CVEARBPZSA-N	2	3	325.501	0.796	20	0		ECADHP
C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(CCO)CC1	ZINC000341950558	437930422	/nfs/dbraw/zinc/93/04/22/437930422.db2.gz	IMXGTFNTHWDPPF-KZNAEPCWSA-N	2	3	326.529	0.695	20	0		ECADHP
CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1	ZINC000567893392	439195119	/nfs/dbraw/zinc/19/51/19/439195119.db2.gz	MKWYFDJIQHHARO-KRWDZBQOSA-N	2	3	339.528	0.189	20	0		ECADHP
CC(C)N1CCN(CCC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1	ZINC000567893392	439195123	/nfs/dbraw/zinc/19/51/23/439195123.db2.gz	MKWYFDJIQHHARO-KRWDZBQOSA-N	2	3	339.528	0.189	20	0		ECADHP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CNCCC1(F)F	ZINC000418758390	438181807	/nfs/dbraw/zinc/18/18/07/438181807.db2.gz	JQZZSCYOAYVDLC-CQSZACIVSA-N	2	3	349.470	0.899	20	0		ECADHP
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1=CC[NH2+]CC1	ZINC000418535129	438157982	/nfs/dbraw/zinc/15/79/82/438157982.db2.gz	CJHRMGQRMYVTKB-KRWDZBQOSA-N	2	3	337.512	0.964	20	0		ECADHP
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1=CC[NH2+]CC1	ZINC000418535129	438157989	/nfs/dbraw/zinc/15/79/89/438157989.db2.gz	CJHRMGQRMYVTKB-KRWDZBQOSA-N	2	3	337.512	0.964	20	0		ECADHP
[NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@H]1CC2(CO1)CC[NH2+]CC2	ZINC000903748148	586804794	/nfs/dbraw/zinc/80/47/94/586804794.db2.gz	ZDRUFFDGGLGEMO-HZPDHXFCSA-N	2	3	338.496	0.465	20	0		ECADHP
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CC[NH2+]CC1	ZINC000418313703	285243722	/nfs/dbraw/zinc/24/37/22/285243722.db2.gz	VZQHDOPKCHGRSE-MRXNPFEDSA-N	2	3	325.501	0.796	20	0		ECADHP
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CC[NH2+]CC1	ZINC000418313703	285243723	/nfs/dbraw/zinc/24/37/23/285243723.db2.gz	VZQHDOPKCHGRSE-MRXNPFEDSA-N	2	3	325.501	0.796	20	0		ECADHP
C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(CCO)CC1	ZINC000341950556	437929926	/nfs/dbraw/zinc/92/99/26/437929926.db2.gz	IMXGTFNTHWDPPF-FGTMMUONSA-N	2	3	326.529	0.695	20	0		ECADHP
N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21	ZINC000420382553	438404520	/nfs/dbraw/zinc/40/45/20/438404520.db2.gz	ARUNQKYOEZPZLS-XWSJACJDSA-N	2	3	345.487	0.618	20	0		ECADHP
N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21	ZINC000420382553	438404526	/nfs/dbraw/zinc/40/45/26/438404526.db2.gz	ARUNQKYOEZPZLS-XWSJACJDSA-N	2	3	345.487	0.618	20	0		ECADHP
[NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21	ZINC000420382553	438404529	/nfs/dbraw/zinc/40/45/29/438404529.db2.gz	ARUNQKYOEZPZLS-XWSJACJDSA-N	2	3	345.487	0.618	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C	ZINC000579452999	439009945	/nfs/dbraw/zinc/00/99/45/439009945.db2.gz	SOAOCKISXKVAPR-HNNXBMFYSA-N	2	3	327.517	0.899	20	0		ECADHP
O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1)[C@@H]1CCC[NH2+]1	ZINC000662266379	441002454	/nfs/dbraw/zinc/00/24/54/441002454.db2.gz	XCONEQBYAVIOKM-JYJNAYRXSA-N	2	3	336.480	0.088	20	0		ECADHP
O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1)[C@@H]1CCC[NH2+]1	ZINC000662266379	441002462	/nfs/dbraw/zinc/00/24/62/441002462.db2.gz	XCONEQBYAVIOKM-JYJNAYRXSA-N	2	3	336.480	0.088	20	0		ECADHP
C[C@H]1CCCN1CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000897518674	586337491	/nfs/dbraw/zinc/33/74/91/586337491.db2.gz	KSTHDNRJWGGWTP-GVDBMIGSSA-N	2	3	339.528	0.852	20	0		ECADHP
C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCC[NH2+]C3)CC2)CC1	ZINC000333936811	297156364	/nfs/dbraw/zinc/15/63/64/297156364.db2.gz	KWVUQCTYKFNLMF-MRXNPFEDSA-N	2	3	337.512	0.986	20	0		ECADHP
C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC34CC[NH2+]CC4)CC2)CC1	ZINC000612971431	439747455	/nfs/dbraw/zinc/74/74/55/439747455.db2.gz	PZTWPEDYYSMOQV-QGZVFWFLSA-N	2	3	349.523	0.986	20	0		ECADHP
C[NH+]1CCC(N2CC[C@@H]([NH2+]C3CCN(CC(C)(C)O)CC3)C2)CC1	ZINC000638586534	440573285	/nfs/dbraw/zinc/57/32/85/440573285.db2.gz	SELYSWACFLKHDG-QGZVFWFLSA-N	2	3	338.540	0.980	20	0		ECADHP
c1c([C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)[nH]nc1N1CCNCC1	ZINC000662336391	441015021	/nfs/dbraw/zinc/01/50/21/441015021.db2.gz	CXWIGOSCNDPRKS-CVEARBPZSA-N	2	3	332.496	0.998	20	0		ECADHP
c1c([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)[nH]nc1N1CCNCC1	ZINC000662336391	441015024	/nfs/dbraw/zinc/01/50/24/441015024.db2.gz	CXWIGOSCNDPRKS-CVEARBPZSA-N	2	3	332.496	0.998	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+](C)C1	ZINC000897548192	586342358	/nfs/dbraw/zinc/34/23/58/586342358.db2.gz	BYIWEWKCCUHGAC-INIZCTEOSA-N	2	3	327.517	0.853	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1	ZINC000897548192	586342361	/nfs/dbraw/zinc/34/23/61/586342361.db2.gz	BYIWEWKCCUHGAC-INIZCTEOSA-N	2	3	327.517	0.853	20	0		ECADHP
CN1CCC[C@](O)(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1	ZINC000900683358	586655806	/nfs/dbraw/zinc/65/58/06/586655806.db2.gz	OQNODASYWGNOKE-SFHVURJKSA-N	2	3	342.528	0.565	20	0		ECADHP
C[NH+](C)CCCNC(=O)c1cccnc1NC(=N)NCCCC[NH3+]	ZINC001167880394	751523323	/nfs/dbraw/zinc/52/33/23/751523323.db2.gz	KYCRMLVJVUVTBG-UHFFFAOYSA-N	2	3	335.456	0.438	20	0		ECADHP
O=C1N[C@@H]2CN(CCC3CC[NH2+]CC3)CC[C@H]2N1C1CC[NH2+]CC1	ZINC000575046914	438734956	/nfs/dbraw/zinc/73/49/56/438734956.db2.gz	XXTPDPRDRRMDTR-IAGOWNOFSA-N	2	3	335.496	0.596	20	0		ECADHP
C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC34CC[NH2+]CC4)CC2)CC1	ZINC000612971426	439747473	/nfs/dbraw/zinc/74/74/73/439747473.db2.gz	PZTWPEDYYSMOQV-KRWDZBQOSA-N	2	3	349.523	0.986	20	0		ECADHP
NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000650724255	440674579	/nfs/dbraw/zinc/67/45/79/440674579.db2.gz	AYKBPVXTIIFEHX-YYIAUSFCSA-N	2	3	338.496	0.545	20	0		ECADHP
NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000650724255	440674584	/nfs/dbraw/zinc/67/45/84/440674584.db2.gz	AYKBPVXTIIFEHX-YYIAUSFCSA-N	2	3	338.496	0.545	20	0		ECADHP
NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000650724252	440676180	/nfs/dbraw/zinc/67/61/80/440676180.db2.gz	AYKBPVXTIIFEHX-QBPKDAKJSA-N	2	3	338.496	0.545	20	0		ECADHP
NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000650724252	440676187	/nfs/dbraw/zinc/67/61/87/440676187.db2.gz	AYKBPVXTIIFEHX-QBPKDAKJSA-N	2	3	338.496	0.545	20	0		ECADHP
C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H](CN)C(F)(F)F)C[C@H]1C[NH+](C)C	ZINC000868169387	589877635	/nfs/dbraw/zinc/87/76/35/589877635.db2.gz	VPADCYQSVGITMI-UTUOFQBUSA-N	2	3	339.406	0.257	20	0		ECADHP
CC[N@H+](C)C[C@H](O)CN1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000565172945	438922768	/nfs/dbraw/zinc/92/27/68/438922768.db2.gz	RWUWTMIHFPUBRK-SFHVURJKSA-N	2	3	326.529	0.791	20	0		ECADHP
CC[N@@H+](C)C[C@H](O)CN1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000565172945	438922772	/nfs/dbraw/zinc/92/27/72/438922772.db2.gz	RWUWTMIHFPUBRK-SFHVURJKSA-N	2	3	326.529	0.791	20	0		ECADHP
O=C1N[C@@H]2CN(CCCC3CC[NH2+]CC3)CC[C@H]2N1C1CC[NH2+]CC1	ZINC000647992672	440208324	/nfs/dbraw/zinc/20/83/24/440208324.db2.gz	YSNKLCKBNYUEDU-QZTJIDSGSA-N	2	3	349.523	0.986	20	0		ECADHP
C[NH+]1CCC(N2CCC(NC(=O)NCC34CC(C3)C[NH2+]4)CC2)CC1	ZINC000659444652	440329699	/nfs/dbraw/zinc/32/96/99/440329699.db2.gz	FUMMMLGNZQIQJU-UHFFFAOYSA-N	2	3	335.496	0.596	20	0		ECADHP
C[C@@H]1[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCN1C	ZINC000925343308	611289913	/nfs/dbraw/zinc/28/99/13/611289913.db2.gz	HKNDANBHFWNYLY-KLHDSHLOSA-N	2	3	325.501	0.460	20	0		ECADHP
C[NH+]1C[C@H]2CN(C[C@@H](O)CN3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)C[C@@]2(C)C1	ZINC000933737643	611745615	/nfs/dbraw/zinc/74/56/15/611745615.db2.gz	SPUKSEZJXCUANP-FEPLZDSPSA-N	2	3	336.524	0.114	20	0		ECADHP
C[NH+]1C[C@H]2CN(C[C@@H](O)CN3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)C[C@@]2(C)C1	ZINC000933737643	611745616	/nfs/dbraw/zinc/74/56/16/611745616.db2.gz	SPUKSEZJXCUANP-FEPLZDSPSA-N	2	3	336.524	0.114	20	0		ECADHP
C[NH+]1C[C@@H]2CN(C[C@H](O)CN3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)C[C@]2(C)C1	ZINC000933737643	611745618	/nfs/dbraw/zinc/74/56/18/611745618.db2.gz	SPUKSEZJXCUANP-FEPLZDSPSA-N	2	3	336.524	0.114	20	0		ECADHP
C[NH+]1C[C@@H]2CN(C[C@H](O)CN3C[C@@H]4C[N@@H+](C)C[C@]4(C)C3)C[C@]2(C)C1	ZINC000933737643	611745620	/nfs/dbraw/zinc/74/56/20/611745620.db2.gz	SPUKSEZJXCUANP-FEPLZDSPSA-N	2	3	336.524	0.114	20	0		ECADHP
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C[NH2+]C	ZINC000418366697	285244250	/nfs/dbraw/zinc/24/42/50/285244250.db2.gz	JPAQBUUQNZZQTR-HZPDHXFCSA-N	2	3	327.517	0.899	20	0		ECADHP
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C[NH2+]C	ZINC000418366697	285244251	/nfs/dbraw/zinc/24/42/51/285244251.db2.gz	JPAQBUUQNZZQTR-HZPDHXFCSA-N	2	3	327.517	0.899	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000077778177	436253428	/nfs/dbraw/zinc/25/34/28/436253428.db2.gz	LIAITCXEVXCBND-JKSUJKDBSA-N	2	3	325.501	0.748	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12	ZINC000077778177	436253431	/nfs/dbraw/zinc/25/34/31/436253431.db2.gz	LIAITCXEVXCBND-JKSUJKDBSA-N	2	3	325.501	0.748	20	0		ECADHP
C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1	ZINC000415078178	438728883	/nfs/dbraw/zinc/72/88/83/438728883.db2.gz	FUMHJPQWHJGZEG-INIZCTEOSA-N	2	3	348.491	0.914	20	0		ECADHP
c1c(C2CCN(CCN3CC[NH2+]CC3)CC2)n[nH]c1C1CC[NH2+]CC1	ZINC000662327834	441012717	/nfs/dbraw/zinc/01/27/17/441012717.db2.gz	WQJXJIDATODLQS-UHFFFAOYSA-N	2	3	346.523	0.961	20	0		ECADHP
C[NH+](C)CC(C)(C)CNC(=O)C1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1	ZINC000923309724	611228293	/nfs/dbraw/zinc/22/82/93/611228293.db2.gz	NVEVRBOTFQYCFD-JYJNAYRXSA-N	2	3	340.512	0.253	20	0		ECADHP
C[NH+]1C[C@H]2CN(C[C@H](O)CN3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)C[C@@]2(C)C1	ZINC000933737638	611745598	/nfs/dbraw/zinc/74/55/98/611745598.db2.gz	SPUKSEZJXCUANP-DQCOHUIHSA-N	2	3	336.524	0.114	20	0		ECADHP
C[NH+]1C[C@H]2CN(C[C@H](O)CN3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)C[C@@]2(C)C1	ZINC000933737638	611745599	/nfs/dbraw/zinc/74/55/99/611745599.db2.gz	SPUKSEZJXCUANP-DQCOHUIHSA-N	2	3	336.524	0.114	20	0		ECADHP
C[NH+]1C[C@@H]2CN(C[C@@H](O)CN3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)C[C@]2(C)C1	ZINC000933737638	611745600	/nfs/dbraw/zinc/74/56/00/611745600.db2.gz	SPUKSEZJXCUANP-DQCOHUIHSA-N	2	3	336.524	0.114	20	0		ECADHP
C[NH+]1C[C@@H]2CN(C[C@@H](O)CN3C[C@@H]4C[N@@H+](C)C[C@]4(C)C3)C[C@]2(C)C1	ZINC000933737638	611745602	/nfs/dbraw/zinc/74/56/02/611745602.db2.gz	SPUKSEZJXCUANP-DQCOHUIHSA-N	2	3	336.524	0.114	20	0		ECADHP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H](CN)Cc1cnn(C)c1C)C2	ZINC000903976867	586828576	/nfs/dbraw/zinc/82/85/76/586828576.db2.gz	FSKKXJINVKBZIY-VUNQQRPYSA-N	2	3	349.479	0.058	20	0		ECADHP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@H](CN)Cc1cnn(C)c1C)C2	ZINC000903976867	586828578	/nfs/dbraw/zinc/82/85/78/586828578.db2.gz	FSKKXJINVKBZIY-VUNQQRPYSA-N	2	3	349.479	0.058	20	0		ECADHP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@@H](C[NH3+])Cc1cnn(C)c1C)C2	ZINC000903976867	586828581	/nfs/dbraw/zinc/82/85/81/586828581.db2.gz	FSKKXJINVKBZIY-VUNQQRPYSA-N	2	3	349.479	0.058	20	0		ECADHP
COC[C@]1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCCCN1	ZINC000877144266	590440452	/nfs/dbraw/zinc/44/04/52/590440452.db2.gz	JETSNHQSIHWTOI-NUJGCVRESA-N	2	3	340.512	0.343	20	0		ECADHP
CCOC(=O)C1([C@@H](C)[NH2+]C[C@@]2(COC)CCCN2)CC[NH2+]CC1	ZINC000423418009	438674326	/nfs/dbraw/zinc/67/43/26/438674326.db2.gz	TYXFUANHZWBBHY-GDBMZVCRSA-N	2	3	327.469	0.666	20	0		ECADHP
c1cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1	ZINC000590927341	438970278	/nfs/dbraw/zinc/97/02/78/438970278.db2.gz	CDJNRTWILWMABL-WTGUMLROSA-N	2	3	326.488	0.989	20	0		ECADHP
Cc1c(C[C@H](C[NH3+])CN2CCC3(CO[C@H](C[NH3+])C3)CC2)cnn1C	ZINC000904393266	586836385	/nfs/dbraw/zinc/83/63/85/586836385.db2.gz	OXWHUZQCDWIROQ-WBVHZDCISA-N	2	3	335.496	0.676	20	0		ECADHP
Cc1c(C[C@@H](C[NH3+])CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)cnn1C	ZINC000904393263	586836517	/nfs/dbraw/zinc/83/65/17/586836517.db2.gz	OXWHUZQCDWIROQ-DOTOQJQBSA-N	2	3	335.496	0.676	20	0		ECADHP
C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(CCO)CC1	ZINC000341950559	437929763	/nfs/dbraw/zinc/92/97/63/437929763.db2.gz	IMXGTFNTHWDPPF-SQNIBIBYSA-N	2	3	326.529	0.695	20	0		ECADHP
CC[NH+]1CCC(CNC(=O)N(CCN(C)C)CC[NH+](C)C)CC1	ZINC000570014681	439381613	/nfs/dbraw/zinc/38/16/13/439381613.db2.gz	VFVRXYBYQGOJHH-UHFFFAOYSA-N	2	3	327.517	0.853	20	0		ECADHP
C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C[NH+]1CCCC1	ZINC000607233971	439445242	/nfs/dbraw/zinc/44/52/42/439445242.db2.gz	PJBIEWXLMAANSE-INIZCTEOSA-N	2	3	327.517	0.853	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000607232891	439445533	/nfs/dbraw/zinc/44/55/33/439445533.db2.gz	QTXHAKLFPYMPNX-HZPDHXFCSA-N	2	3	325.501	0.748	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000607232891	439445540	/nfs/dbraw/zinc/44/55/40/439445540.db2.gz	QTXHAKLFPYMPNX-HZPDHXFCSA-N	2	3	325.501	0.748	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000607232892	439447119	/nfs/dbraw/zinc/44/71/19/439447119.db2.gz	QTXHAKLFPYMPNX-JKSUJKDBSA-N	2	3	325.501	0.748	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000607232892	439447125	/nfs/dbraw/zinc/44/71/25/439447125.db2.gz	QTXHAKLFPYMPNX-JKSUJKDBSA-N	2	3	325.501	0.748	20	0		ECADHP
CCCN1CC[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1	ZINC000875746609	590328082	/nfs/dbraw/zinc/32/80/82/590328082.db2.gz	JKIDLIDUULJWSK-BRWVUGGUSA-N	2	3	339.528	0.852	20	0		ECADHP
C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2CSCCN2)C[C@H]1C[NH+](C)C	ZINC000877143251	590440265	/nfs/dbraw/zinc/44/02/65/590440265.db2.gz	JIDLONNMHXRCQO-KFWWJZLASA-N	2	3	328.526	0.279	20	0		ECADHP
COCC[N@H+](C)C[C@H](O)CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000923378561	611235267	/nfs/dbraw/zinc/23/52/67/611235267.db2.gz	JCIOGDZFCMGSJE-IXDOHACOSA-N	2	3	329.485	0.144	20	0		ECADHP
COCC[N@@H+](C)C[C@H](O)CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000923378561	611235269	/nfs/dbraw/zinc/23/52/69/611235269.db2.gz	JCIOGDZFCMGSJE-IXDOHACOSA-N	2	3	329.485	0.144	20	0		ECADHP
COCC[N@H+](C)C[C@H](O)CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000923378565	611235496	/nfs/dbraw/zinc/23/54/96/611235496.db2.gz	JCIOGDZFCMGSJE-YESZJQIVSA-N	2	3	329.485	0.144	20	0		ECADHP
COCC[N@@H+](C)C[C@H](O)CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000923378565	611235498	/nfs/dbraw/zinc/23/54/98/611235498.db2.gz	JCIOGDZFCMGSJE-YESZJQIVSA-N	2	3	329.485	0.144	20	0		ECADHP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CNCCC1(F)F	ZINC000648148976	440246305	/nfs/dbraw/zinc/24/63/05/440246305.db2.gz	WBNHWXONXGZRNJ-AWEZNQCLSA-N	2	3	334.455	0.963	20	0		ECADHP
CN1CCC[C@@](O)(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1	ZINC000900683356	586655622	/nfs/dbraw/zinc/65/56/22/586655622.db2.gz	OQNODASYWGNOKE-GOSISDBHSA-N	2	3	342.528	0.565	20	0		ECADHP
[NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H]1CC2(CO1)CC[NH2+]CC2	ZINC000903748146	586804907	/nfs/dbraw/zinc/80/49/07/586804907.db2.gz	ZDRUFFDGGLGEMO-HOTGVXAUSA-N	2	3	338.496	0.465	20	0		ECADHP
COCC[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCN(C(=O)CN)C1	ZINC000873215654	590186965	/nfs/dbraw/zinc/18/69/65/590186965.db2.gz	KMEBSFBGKLPJEF-KRWDZBQOSA-N	2	3	340.512	0.474	20	0		ECADHP
COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCN(C(=O)CN)C1	ZINC000873215654	590186967	/nfs/dbraw/zinc/18/69/67/590186967.db2.gz	KMEBSFBGKLPJEF-KRWDZBQOSA-N	2	3	340.512	0.474	20	0		ECADHP
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+][C@H]1C	ZINC000627240424	440063487	/nfs/dbraw/zinc/06/34/87/440063487.db2.gz	QBBQRNCYMUAGIT-HRCADAONSA-N	2	3	325.501	0.794	20	0		ECADHP
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+][C@H]1C	ZINC000627240424	440063493	/nfs/dbraw/zinc/06/34/93/440063493.db2.gz	QBBQRNCYMUAGIT-HRCADAONSA-N	2	3	325.501	0.794	20	0		ECADHP
CN1CCC[C@H]1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C	ZINC000339933845	321004548	/nfs/dbraw/zinc/00/45/48/321004548.db2.gz	HICRJKPOGLWHIZ-INIZCTEOSA-N	2	3	327.517	0.996	20	0		ECADHP
C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CNCCC2(F)F)C[C@H]1C[NH+](C)C	ZINC000877143882	590440251	/nfs/dbraw/zinc/44/02/51/590440251.db2.gz	XDDIBGPPPQRAPB-MCIONIFRSA-N	2	3	332.439	0.429	20	0		ECADHP
CCOC(=O)C1([C@@H](C)NC[C@H](O)C[NH+]2CCCC2)CC[NH2+]CC1	ZINC000422978581	438623647	/nfs/dbraw/zinc/62/36/47/438623647.db2.gz	ZRYVCJRIIFDUMV-CABCVRRESA-N	2	3	327.469	0.354	20	0		ECADHP
CN(CC(C)(C)[NH3+])C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000659444967	440327067	/nfs/dbraw/zinc/32/70/67/440327067.db2.gz	KKAKHRIXUWUISL-UHFFFAOYSA-N	2	3	325.501	0.924	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1[NH2+]CCCC1(C)C	ZINC000579453000	322896581	/nfs/dbraw/zinc/89/65/81/322896581.db2.gz	SOAOCKISXKVAPR-OAHLLOKOSA-N	2	3	327.517	0.899	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1	ZINC000892490018	586269322	/nfs/dbraw/zinc/26/93/22/586269322.db2.gz	OFQDJKKGZSITCU-OAHLLOKOSA-N	2	3	327.517	0.899	20	0		ECADHP
CCCN1CC[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1	ZINC000875746610	590327795	/nfs/dbraw/zinc/32/77/95/590327795.db2.gz	JKIDLIDUULJWSK-ZACQAIPSSA-N	2	3	339.528	0.852	20	0		ECADHP
C[NH+](C)C[C@@H]1CN(C(=O)C2(N)Cc3ccccc3C2)C[C@H]1C[NH+](C)C	ZINC000877143681	590440320	/nfs/dbraw/zinc/44/03/20/590440320.db2.gz	VIPDNXYQNGIPHC-QZTJIDSGSA-N	2	3	344.503	0.681	20	0		ECADHP
CC[NH+](CC)CCCNC(=O)C1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1	ZINC000923373193	611234564	/nfs/dbraw/zinc/23/45/64/611234564.db2.gz	LROGPTDJMCZJGJ-ULQDDVLXSA-N	2	3	340.512	0.397	20	0		ECADHP
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000626957904	439969639	/nfs/dbraw/zinc/96/96/39/439969639.db2.gz	GACPPNJWTQBAIV-DLBZAZTESA-N	2	3	337.512	0.985	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1	ZINC000892391577	586262691	/nfs/dbraw/zinc/26/26/91/586262691.db2.gz	FWAAQIMHDBULCN-OAHLLOKOSA-N	2	3	327.517	0.899	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@H+](C)C1	ZINC000897548193	586342347	/nfs/dbraw/zinc/34/23/47/586342347.db2.gz	BYIWEWKCCUHGAC-MRXNPFEDSA-N	2	3	327.517	0.853	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+](C)C1	ZINC000897548193	586342350	/nfs/dbraw/zinc/34/23/50/586342350.db2.gz	BYIWEWKCCUHGAC-MRXNPFEDSA-N	2	3	327.517	0.853	20	0		ECADHP
C[NH+](C)C[C@@H]1CN(C(=O)N[C@H](CN)C(F)(F)F)C[C@H]1C[NH+](C)C	ZINC000868169386	589877574	/nfs/dbraw/zinc/87/75/74/589877574.db2.gz	VPADCYQSVGITMI-IJLUTSLNSA-N	2	3	339.406	0.257	20	0		ECADHP
CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1	ZINC000414743660	438717067	/nfs/dbraw/zinc/71/70/67/438717067.db2.gz	NMNGERIIRMDZFG-DLBZAZTESA-N	2	3	340.512	0.616	20	0		ECADHP
CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1	ZINC000414743660	438717069	/nfs/dbraw/zinc/71/70/69/438717069.db2.gz	NMNGERIIRMDZFG-DLBZAZTESA-N	2	3	340.512	0.616	20	0		ECADHP
CC[N@H+](C)C[C@@H](O)CN1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000565172925	438920799	/nfs/dbraw/zinc/92/07/99/438920799.db2.gz	RWUWTMIHFPUBRK-GOSISDBHSA-N	2	3	326.529	0.791	20	0		ECADHP
CC[N@@H+](C)C[C@@H](O)CN1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000565172925	438920805	/nfs/dbraw/zinc/92/08/05/438920805.db2.gz	RWUWTMIHFPUBRK-GOSISDBHSA-N	2	3	326.529	0.791	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000583430873	439461883	/nfs/dbraw/zinc/46/18/83/439461883.db2.gz	YCTOQSKCOJIMCF-BZUAXINKSA-N	2	3	325.501	0.509	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(CC[NH3+])cc1	ZINC000841928873	589006268	/nfs/dbraw/zinc/00/62/68/589006268.db2.gz	UDQAUMRDOQEZHM-UHFFFAOYSA-N	2	3	335.496	0.823	20	0		ECADHP
C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(CN2CC[NH2+]CC2)cc1	ZINC000925816702	611503285	/nfs/dbraw/zinc/50/32/85/611503285.db2.gz	JDQNHSHUMBXIFI-ZYSHUDEJSA-N	2	3	332.492	0.934	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@H]1CCC[N@H+](C)C1	ZINC000514657533	438821905	/nfs/dbraw/zinc/82/19/05/438821905.db2.gz	IBYQGEFFTSIMHX-MRXNPFEDSA-N	2	3	327.517	0.853	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1	ZINC000514657533	438821909	/nfs/dbraw/zinc/82/19/09/438821909.db2.gz	IBYQGEFFTSIMHX-MRXNPFEDSA-N	2	3	327.517	0.853	20	0		ECADHP
O=C1N[C@H]2CN(CCCC3CC[NH2+]CC3)CC[C@H]2N1C1CC[NH2+]CC1	ZINC000647992674	440208926	/nfs/dbraw/zinc/20/89/26/440208926.db2.gz	YSNKLCKBNYUEDU-ZWKOTPCHSA-N	2	3	349.523	0.986	20	0		ECADHP
NCC(=O)N1CCC[C@@H](C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1	ZINC000629673487	440748936	/nfs/dbraw/zinc/74/89/36/440748936.db2.gz	QBTHGCFKZLXLGM-DLBZAZTESA-N	2	3	338.496	0.274	20	0		ECADHP
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)C[NH2+]C	ZINC000418366695	285277521	/nfs/dbraw/zinc/27/75/21/285277521.db2.gz	JPAQBUUQNZZQTR-HOTGVXAUSA-N	2	3	327.517	0.899	20	0		ECADHP
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)C[NH2+]C	ZINC000418366695	285277526	/nfs/dbraw/zinc/27/75/26/285277526.db2.gz	JPAQBUUQNZZQTR-HOTGVXAUSA-N	2	3	327.517	0.899	20	0		ECADHP
CCOC(=O)C1([C@@H](C)NC[C@@H](O)C[NH+]2CCCC2)CC[NH2+]CC1	ZINC000422978583	438623562	/nfs/dbraw/zinc/62/35/62/438623562.db2.gz	ZRYVCJRIIFDUMV-HUUCEWRRSA-N	2	3	327.469	0.354	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NCC[N@H+](C)C1CCCC1	ZINC000607241604	439445395	/nfs/dbraw/zinc/44/53/95/439445395.db2.gz	LSZDGURIDIVKQI-UHFFFAOYSA-N	2	3	327.517	0.996	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NCC[N@@H+](C)C1CCCC1	ZINC000607241604	439445398	/nfs/dbraw/zinc/44/53/98/439445398.db2.gz	LSZDGURIDIVKQI-UHFFFAOYSA-N	2	3	327.517	0.996	20	0		ECADHP
CN1CCC(NC(=S)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1	ZINC000865245953	590134989	/nfs/dbraw/zinc/13/49/89/590134989.db2.gz	VBTICGVYENJSAS-HUUCEWRRSA-N	2	3	341.569	0.626	20	0		ECADHP
CN1CCC(NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1	ZINC000193140579	263166742	/nfs/dbraw/zinc/16/67/42/263166742.db2.gz	HMSYKFUAYCJFGM-UHFFFAOYSA-N	2	3	327.517	0.996	20	0		ECADHP
c1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1	ZINC000590927339	438969239	/nfs/dbraw/zinc/96/92/39/438969239.db2.gz	CDJNRTWILWMABL-LWYYNNOASA-N	2	3	326.488	0.989	20	0		ECADHP
C[NH+]1CCC(N2CCC(NC(=O)NCCOCCC[NH3+])CC2)CC1	ZINC000626958726	439971857	/nfs/dbraw/zinc/97/18/57/439971857.db2.gz	SRFDGDNPZDBXAN-UHFFFAOYSA-N	2	3	341.500	0.210	20	0		ECADHP
Cc1c(C[C@H](C[NH3+])CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)cnn1C	ZINC000904393264	586836747	/nfs/dbraw/zinc/83/67/47/586836747.db2.gz	OXWHUZQCDWIROQ-NVXWUHKLSA-N	2	3	335.496	0.676	20	0		ECADHP
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]([NH3+])C1CC1	ZINC000418494309	285277744	/nfs/dbraw/zinc/27/77/44/285277744.db2.gz	XNCJBBAQSXEDMY-HOTGVXAUSA-N	2	3	325.501	0.781	20	0		ECADHP
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]([NH3+])C1CC1	ZINC000418494309	285277745	/nfs/dbraw/zinc/27/77/45/285277745.db2.gz	XNCJBBAQSXEDMY-HOTGVXAUSA-N	2	3	325.501	0.781	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000892599919	586276062	/nfs/dbraw/zinc/27/60/62/586276062.db2.gz	VUQIYFIIQQOMAF-MUJYYYPQSA-N	2	3	325.501	0.652	20	0		ECADHP
Cc1c(C[C@@H](C[NH3+])CN2CCC3(CO[C@H](C[NH3+])C3)CC2)cnn1C	ZINC000904393265	586836761	/nfs/dbraw/zinc/83/67/61/586836761.db2.gz	OXWHUZQCDWIROQ-RDJZCZTQSA-N	2	3	335.496	0.676	20	0		ECADHP
O=C1N[C@H]2CN(CCCC3CC[NH2+]CC3)CC[C@@H]2N1C1CC[NH2+]CC1	ZINC000647992673	440208284	/nfs/dbraw/zinc/20/82/84/440208284.db2.gz	YSNKLCKBNYUEDU-ROUUACIJSA-N	2	3	349.523	0.986	20	0		ECADHP
C[C@H]1CCN(CCNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1	ZINC000897469111	586327486	/nfs/dbraw/zinc/32/74/86/586327486.db2.gz	DFQLWWUBZOSETD-GVDBMIGSSA-N	2	3	339.528	0.709	20	0		ECADHP
Cc1c(C[C@H](C[NH3+])CN2CCC(OCC[NH+](C)C)CC2)cnn1C	ZINC000903893858	586823934	/nfs/dbraw/zinc/82/39/34/586823934.db2.gz	ZWWRRFWBKBVBON-MRXNPFEDSA-N	2	3	337.512	0.889	20	0		ECADHP
CCN1CCC(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1	ZINC000875005459	590262194	/nfs/dbraw/zinc/26/21/94/590262194.db2.gz	QTSBQFYROSCKTC-HZPDHXFCSA-N	2	3	339.528	0.852	20	0		ECADHP
CN(C)Cc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1	ZINC000420465323	289223909	/nfs/dbraw/zinc/22/39/09/289223909.db2.gz	YTOQSDPHLUXSMH-UHFFFAOYSA-N	2	3	328.482	0.437	20	0		ECADHP
C[C@H](C[C@H](C)[NH3+])NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000574987217	438731105	/nfs/dbraw/zinc/73/11/05/438731105.db2.gz	NFPBYJWDNLCOBQ-UONOGXRCSA-N	2	3	325.501	0.970	20	0		ECADHP
CN(C[C@H](O)C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C1CC1	ZINC000574151790	439686498	/nfs/dbraw/zinc/68/64/98/439686498.db2.gz	RUCCVHZGCNLYLG-LJQANCHMSA-N	2	3	347.507	0.638	20	0		ECADHP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1CSCCN1	ZINC000316651664	437188309	/nfs/dbraw/zinc/18/83/09/437188309.db2.gz	AFBBJTZMCWGMJC-HNNXBMFYSA-N	2	3	330.542	0.814	20	0		ECADHP
C[NH+]1CC[C@@]2(CCN(CC(O)CN3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)C1	ZINC000366542196	438091722	/nfs/dbraw/zinc/09/17/22/438091722.db2.gz	BRHKRXZWNDMYGT-RTBURBONSA-N	2	3	336.524	0.403	20	0		ECADHP
C[NH+]1CC[C@@]2(CCN(CC(O)CN3CC[C@@]4(CC[N@H+](C)C4)C3)C2)C1	ZINC000366542196	438091726	/nfs/dbraw/zinc/09/17/26/438091726.db2.gz	BRHKRXZWNDMYGT-RTBURBONSA-N	2	3	336.524	0.403	20	0		ECADHP
CN1CC[C@@]2(CC[N@H+](CC(O)CN3CC[C@@]4(CC[NH+](C)C4)C3)C2)C1	ZINC000366542196	438091733	/nfs/dbraw/zinc/09/17/33/438091733.db2.gz	BRHKRXZWNDMYGT-RTBURBONSA-N	2	3	336.524	0.403	20	0		ECADHP
CN1CC[C@@]2(CC[N@@H+](CC(O)CN3CC[C@@]4(CC[NH+](C)C4)C3)C2)C1	ZINC000366542196	438091738	/nfs/dbraw/zinc/09/17/38/438091738.db2.gz	BRHKRXZWNDMYGT-RTBURBONSA-N	2	3	336.524	0.403	20	0		ECADHP
CN1CC[C@@]2(CC[NH+](CC(O)CN3CC[C@@]4(CC[N@H+](C)C4)C3)C2)C1	ZINC000366542196	438091741	/nfs/dbraw/zinc/09/17/41/438091741.db2.gz	BRHKRXZWNDMYGT-RTBURBONSA-N	2	3	336.524	0.403	20	0		ECADHP
CN1CC[C@@]2(CC[NH+](CC(O)CN3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)C1	ZINC000366542196	438091746	/nfs/dbraw/zinc/09/17/46/438091746.db2.gz	BRHKRXZWNDMYGT-RTBURBONSA-N	2	3	336.524	0.403	20	0		ECADHP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CNCCC1(F)F	ZINC000648148977	440246680	/nfs/dbraw/zinc/24/66/80/440246680.db2.gz	WBNHWXONXGZRNJ-CQSZACIVSA-N	2	3	334.455	0.963	20	0		ECADHP
O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1)[C@H]1CCC[NH2+]1	ZINC000662266377	441000132	/nfs/dbraw/zinc/00/01/32/441000132.db2.gz	XCONEQBYAVIOKM-ARFHVFGLSA-N	2	3	336.480	0.088	20	0		ECADHP
O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1)[C@H]1CCC[NH2+]1	ZINC000662266377	441000139	/nfs/dbraw/zinc/00/01/39/441000139.db2.gz	XCONEQBYAVIOKM-ARFHVFGLSA-N	2	3	336.480	0.088	20	0		ECADHP
O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1)[C@@H]1CCC[NH2+]1	ZINC000662266380	441003106	/nfs/dbraw/zinc/00/31/06/441003106.db2.gz	XCONEQBYAVIOKM-XHSDSOJGSA-N	2	3	336.480	0.088	20	0		ECADHP
O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1)[C@@H]1CCC[NH2+]1	ZINC000662266380	441003110	/nfs/dbraw/zinc/00/31/10/441003110.db2.gz	XCONEQBYAVIOKM-XHSDSOJGSA-N	2	3	336.480	0.088	20	0		ECADHP
O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1	ZINC000866712985	589762476	/nfs/dbraw/zinc/76/24/76/589762476.db2.gz	ZJBUJMLUMNWYNW-RYQLBKOJSA-N	2	3	342.443	0.699	20	0		ECADHP
C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(CN2CC[NH2+]CC2)cc1	ZINC000925816699	611503248	/nfs/dbraw/zinc/50/32/48/611503248.db2.gz	JDQNHSHUMBXIFI-IPELMVKDSA-N	2	3	332.492	0.934	20	0		ECADHP
N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1	ZINC000923451986	611245933	/nfs/dbraw/zinc/24/59/33/611245933.db2.gz	ROZDROFEJGXTNS-BZSNNMDCSA-N	2	3	333.476	0.747	20	0		ECADHP
c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1	ZINC000662336153	441018035	/nfs/dbraw/zinc/01/80/35/441018035.db2.gz	WOZHDDVUBUMYEO-MRXNPFEDSA-N	2	3	332.496	0.998	20	0		ECADHP
c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1	ZINC000662336153	441018044	/nfs/dbraw/zinc/01/80/44/441018044.db2.gz	WOZHDDVUBUMYEO-MRXNPFEDSA-N	2	3	332.496	0.998	20	0		ECADHP
CN1CCN(CC2(C)CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)CC1	ZINC000923370967	611234011	/nfs/dbraw/zinc/23/40/11/611234011.db2.gz	MQGCOKCFYVNDKC-QGZVFWFLSA-N	2	3	336.524	0.714	20	0		ECADHP
[NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)C1	ZINC000923396447	611237491	/nfs/dbraw/zinc/23/74/91/611237491.db2.gz	CJVRIEVLYVYGTQ-WBAXXEDZSA-N	2	3	333.480	0.907	20	0		ECADHP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1CSCCN1	ZINC000316651667	437187857	/nfs/dbraw/zinc/18/78/57/437187857.db2.gz	AFBBJTZMCWGMJC-OAHLLOKOSA-N	2	3	330.542	0.814	20	0		ECADHP
CCC[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1	ZINC000607235473	439446381	/nfs/dbraw/zinc/44/63/81/439446381.db2.gz	LRNZSZGAGVWCHC-MRXNPFEDSA-N	2	3	327.517	0.853	20	0		ECADHP
CCC[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1	ZINC000607235473	439446391	/nfs/dbraw/zinc/44/63/91/439446391.db2.gz	LRNZSZGAGVWCHC-MRXNPFEDSA-N	2	3	327.517	0.853	20	0		ECADHP
CN1CCC(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)(N2CCOCC2)CC1	ZINC000647800025	440156724	/nfs/dbraw/zinc/15/67/24/440156724.db2.gz	XPAYQNVJQHPICY-KZNAEPCWSA-N	2	3	336.524	0.761	20	0		ECADHP
COCC1(CNC(=O)N(CCN(C)C)CC[NH+](C)C)CC[NH2+]CC1	ZINC000575158952	322791966	/nfs/dbraw/zinc/79/19/66/322791966.db2.gz	ZRODBGJXBUREGG-UHFFFAOYSA-N	2	3	343.516	0.137	20	0		ECADHP
C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1	ZINC000891462828	586170051	/nfs/dbraw/zinc/17/00/51/586170051.db2.gz	TXNVTHUSOWPWQF-IYBDPMFKSA-N	2	3	335.496	0.691	20	0		ECADHP
CCOC(=O)C1([C@H](C)[NH2+]C[C@]2(COC)CCCN2)CC[NH2+]CC1	ZINC000423418011	438673975	/nfs/dbraw/zinc/67/39/75/438673975.db2.gz	TYXFUANHZWBBHY-HOCLYGCPSA-N	2	3	327.469	0.666	20	0		ECADHP
CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1	ZINC000607235472	439446159	/nfs/dbraw/zinc/44/61/59/439446159.db2.gz	LRNZSZGAGVWCHC-INIZCTEOSA-N	2	3	327.517	0.853	20	0		ECADHP
CCC[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1	ZINC000607235472	439446163	/nfs/dbraw/zinc/44/61/63/439446163.db2.gz	LRNZSZGAGVWCHC-INIZCTEOSA-N	2	3	327.517	0.853	20	0		ECADHP
C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)CC2)CC1	ZINC000891461356	586170029	/nfs/dbraw/zinc/17/00/29/586170029.db2.gz	LOGCPVNOKFFTFF-HNAYVOBHSA-N	2	3	349.523	0.796	20	0		ECADHP
[NH3+]Cc1ccc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1	ZINC000904379619	586836665	/nfs/dbraw/zinc/83/66/65/586836665.db2.gz	ACKGABZUWAJFKK-SJORKVTESA-N	2	3	330.432	0.902	20	0		ECADHP
O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1	ZINC000866712984	589762465	/nfs/dbraw/zinc/76/24/65/589762465.db2.gz	ZJBUJMLUMNWYNW-BPQIPLTHSA-N	2	3	342.443	0.699	20	0		ECADHP
C[C@@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)N(C)C1CC1	ZINC000875240460	590286354	/nfs/dbraw/zinc/28/63/54/590286354.db2.gz	RMHAMFAQIUNXNI-ARFHVFGLSA-N	2	3	339.528	0.850	20	0		ECADHP
CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1	ZINC000414743667	438716156	/nfs/dbraw/zinc/71/61/56/438716156.db2.gz	NMNGERIIRMDZFG-IAGOWNOFSA-N	2	3	340.512	0.616	20	0		ECADHP
CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1	ZINC000414743667	438716158	/nfs/dbraw/zinc/71/61/58/438716158.db2.gz	NMNGERIIRMDZFG-IAGOWNOFSA-N	2	3	340.512	0.616	20	0		ECADHP
C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C[NH+]1CCCC1	ZINC000607233972	439446063	/nfs/dbraw/zinc/44/60/63/439446063.db2.gz	PJBIEWXLMAANSE-MRXNPFEDSA-N	2	3	327.517	0.853	20	0		ECADHP
CN1CCC[C@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000875152343	590276012	/nfs/dbraw/zinc/27/60/12/590276012.db2.gz	QPFXIBFEFGTJCO-OAGGEKHMSA-N	2	3	325.501	0.461	20	0		ECADHP
C[C@@H]1[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCN1C	ZINC000925343301	611288714	/nfs/dbraw/zinc/28/87/14/611288714.db2.gz	HKNDANBHFWNYLY-FPCVCCKLSA-N	2	3	325.501	0.460	20	0		ECADHP
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]([NH3+])C1CC1	ZINC000418494310	285244280	/nfs/dbraw/zinc/24/42/80/285244280.db2.gz	XNCJBBAQSXEDMY-HZPDHXFCSA-N	2	3	325.501	0.781	20	0		ECADHP
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]([NH3+])C1CC1	ZINC000418494310	285244281	/nfs/dbraw/zinc/24/42/81/285244281.db2.gz	XNCJBBAQSXEDMY-HZPDHXFCSA-N	2	3	325.501	0.781	20	0		ECADHP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CNCCC1(F)F	ZINC000418758389	438182195	/nfs/dbraw/zinc/18/21/95/438182195.db2.gz	JQZZSCYOAYVDLC-AWEZNQCLSA-N	2	3	349.470	0.899	20	0		ECADHP
C[NH2+]CCOCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000626958184	439970942	/nfs/dbraw/zinc/97/09/42/439970942.db2.gz	MHQIMTDTCXGLNJ-UHFFFAOYSA-N	2	3	341.500	0.080	20	0		ECADHP
C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCCC[NH2+]3)CC2)CC1	ZINC000669430359	547889590	/nfs/dbraw/zinc/88/95/90/547889590.db2.gz	VYAUUYLZTIBALI-MRXNPFEDSA-N	2	3	337.512	0.986	20	0		ECADHP
C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(CN2CC[NH2+]CC2)cc1	ZINC000925816701	611503204	/nfs/dbraw/zinc/50/32/04/611503204.db2.gz	JDQNHSHUMBXIFI-SNRMKQJTSA-N	2	3	332.492	0.934	20	0		ECADHP
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]([NH3+])C1CC1	ZINC000418494308	438151185	/nfs/dbraw/zinc/15/11/85/438151185.db2.gz	XNCJBBAQSXEDMY-CVEARBPZSA-N	2	3	325.501	0.781	20	0		ECADHP
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]([NH3+])C1CC1	ZINC000418494308	438151189	/nfs/dbraw/zinc/15/11/89/438151189.db2.gz	XNCJBBAQSXEDMY-CVEARBPZSA-N	2	3	325.501	0.781	20	0		ECADHP
CN(C[C@@H](O)C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C1CC1	ZINC000574151789	439687812	/nfs/dbraw/zinc/68/78/12/439687812.db2.gz	RUCCVHZGCNLYLG-IBGZPJMESA-N	2	3	347.507	0.638	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](CC[NH3+])C(F)(F)F	ZINC000563504040	322324359	/nfs/dbraw/zinc/32/43/59/322324359.db2.gz	BRTFLZMABNWDAQ-LLVKDONJSA-N	2	3	327.395	0.401	20	0		ECADHP
CC[NH+](C)C[C@@H]1CCN(C[C@@H](O)CN2CC[C@H](C[N@@H+](C)CC)C2)C1	ZINC000248739696	436809475	/nfs/dbraw/zinc/80/94/75/436809475.db2.gz	PINZUQWNUJQHCA-BWTSREIZSA-N	2	3	340.556	0.895	20	0		ECADHP
CC[NH+](C)C[C@@H]1CCN(C[C@@H](O)CN2CC[C@H](C[N@H+](C)CC)C2)C1	ZINC000248739696	436809477	/nfs/dbraw/zinc/80/94/77/436809477.db2.gz	PINZUQWNUJQHCA-BWTSREIZSA-N	2	3	340.556	0.895	20	0		ECADHP
CC[NH+](C)C[C@H]1CCN(C[C@H](O)CN2CC[C@@H](C[N@H+](C)CC)C2)C1	ZINC000248739696	436809478	/nfs/dbraw/zinc/80/94/78/436809478.db2.gz	PINZUQWNUJQHCA-BWTSREIZSA-N	2	3	340.556	0.895	20	0		ECADHP
CC[NH+](C)C[C@H]1CCN(C[C@H](O)CN2CC[C@@H](C[N@@H+](C)CC)C2)C1	ZINC000248739696	436809479	/nfs/dbraw/zinc/80/94/79/436809479.db2.gz	PINZUQWNUJQHCA-BWTSREIZSA-N	2	3	340.556	0.895	20	0		ECADHP
[NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H]1CC2(CO1)CC[NH2+]CC2	ZINC000903748149	586804741	/nfs/dbraw/zinc/80/47/41/586804741.db2.gz	ZDRUFFDGGLGEMO-JKSUJKDBSA-N	2	3	338.496	0.465	20	0		ECADHP
CN1CCC[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1	ZINC000875134278	590274194	/nfs/dbraw/zinc/27/41/94/590274194.db2.gz	ACVNWMNHOJQPQB-OAGGEKHMSA-N	2	3	325.501	0.461	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCCC1	ZINC000077752637	436251324	/nfs/dbraw/zinc/25/13/24/436251324.db2.gz	GQPVXZNQVSRXSD-UHFFFAOYSA-N	2	3	327.517	0.996	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1	ZINC000530685368	302023156	/nfs/dbraw/zinc/02/31/56/302023156.db2.gz	XCYSAMZMJKBOEZ-HOTGVXAUSA-N	2	3	327.517	0.994	20	0		ECADHP
O=C1N[C@H]2CN(CCC3CC[NH2+]CC3)CC[C@@H]2N1C1CC[NH2+]CC1	ZINC000575046915	438734822	/nfs/dbraw/zinc/73/48/22/438734822.db2.gz	XXTPDPRDRRMDTR-IRXDYDNUSA-N	2	3	335.496	0.596	20	0		ECADHP
O=C1N[C@@H]2CN(CCCC3CC[NH2+]CC3)CC[C@@H]2N1C1CC[NH2+]CC1	ZINC000647992671	440208194	/nfs/dbraw/zinc/20/81/94/440208194.db2.gz	YSNKLCKBNYUEDU-MSOLQXFVSA-N	2	3	349.523	0.986	20	0		ECADHP
NCC(=O)N1CCC[C@@H](C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1	ZINC000629673489	440749311	/nfs/dbraw/zinc/74/93/11/440749311.db2.gz	QBTHGCFKZLXLGM-IRXDYDNUSA-N	2	3	338.496	0.274	20	0		ECADHP
CCN1CCC[C@H]1CNC(=[NH2+])NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000849073132	589319128	/nfs/dbraw/zinc/31/91/28/589319128.db2.gz	MGUVXWZZDOVJGX-CABCVRRESA-N	2	3	338.500	0.172	20	0		ECADHP
CCN1CCC[C@H]1CNC(=[NH2+])NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000849073132	589319130	/nfs/dbraw/zinc/31/91/30/589319130.db2.gz	MGUVXWZZDOVJGX-CABCVRRESA-N	2	3	338.500	0.172	20	0		ECADHP
CN1CCN(CC2(C)CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)CC1	ZINC000923370965	611234021	/nfs/dbraw/zinc/23/40/21/611234021.db2.gz	MQGCOKCFYVNDKC-KRWDZBQOSA-N	2	3	336.524	0.714	20	0		ECADHP
O=C1N[C@H]2CN(CCC3CC[NH2+]CC3)CC[C@H]2N1C1CC[NH2+]CC1	ZINC000575046913	438735003	/nfs/dbraw/zinc/73/50/03/438735003.db2.gz	XXTPDPRDRRMDTR-DLBZAZTESA-N	2	3	335.496	0.596	20	0		ECADHP
[NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1	ZINC000572524399	439588725	/nfs/dbraw/zinc/58/87/25/439588725.db2.gz	KWVOBJXBJOKFFR-XWSJACJDSA-N	2	3	333.476	0.746	20	0		ECADHP
N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1	ZINC000572524399	439588731	/nfs/dbraw/zinc/58/87/31/439588731.db2.gz	KWVOBJXBJOKFFR-XWSJACJDSA-N	2	3	333.476	0.746	20	0		ECADHP
c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1	ZINC000662336152	441016385	/nfs/dbraw/zinc/01/63/85/441016385.db2.gz	WOZHDDVUBUMYEO-INIZCTEOSA-N	2	3	332.496	0.998	20	0		ECADHP
c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1	ZINC000662336152	441016391	/nfs/dbraw/zinc/01/63/91/441016391.db2.gz	WOZHDDVUBUMYEO-INIZCTEOSA-N	2	3	332.496	0.998	20	0		ECADHP
C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCCC[NH2+]3)CC2)CC1	ZINC000669430358	547889807	/nfs/dbraw/zinc/88/98/07/547889807.db2.gz	VYAUUYLZTIBALI-INIZCTEOSA-N	2	3	337.512	0.986	20	0		ECADHP
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC[NH2+]1	ZINC000418353822	285244308	/nfs/dbraw/zinc/24/43/08/285244308.db2.gz	AVGQNYSARRWPOY-HZPDHXFCSA-N	2	3	325.501	0.796	20	0		ECADHP
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC[NH2+]1	ZINC000418353822	285244309	/nfs/dbraw/zinc/24/43/09/285244309.db2.gz	AVGQNYSARRWPOY-HZPDHXFCSA-N	2	3	325.501	0.796	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1	ZINC000530685369	302023172	/nfs/dbraw/zinc/02/31/72/302023172.db2.gz	XCYSAMZMJKBOEZ-HZPDHXFCSA-N	2	3	327.517	0.994	20	0		ECADHP
CCOC(=O)C1([C@H](C)[NH2+]C[C@@]2(COC)CCCN2)CC[NH2+]CC1	ZINC000423418010	438674090	/nfs/dbraw/zinc/67/40/90/438674090.db2.gz	TYXFUANHZWBBHY-GOEBONIOSA-N	2	3	327.469	0.666	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000583430872	439463436	/nfs/dbraw/zinc/46/34/36/439463436.db2.gz	YCTOQSKCOJIMCF-ARFHVFGLSA-N	2	3	325.501	0.509	20	0		ECADHP
C[NH+]1CCC(N2CC[C@H]([NH2+]C3CCN(CC(C)(C)O)CC3)C2)CC1	ZINC000638586532	440573394	/nfs/dbraw/zinc/57/33/94/440573394.db2.gz	SELYSWACFLKHDG-KRWDZBQOSA-N	2	3	338.540	0.980	20	0		ECADHP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H](CN)c1ccc(OC)cc1)C2	ZINC000903493497	586779527	/nfs/dbraw/zinc/77/95/27/586779527.db2.gz	SWXJRRJPHDAZDZ-OLMMMNRUSA-N	2	3	347.459	0.950	20	0		ECADHP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@H](CN)c1ccc(OC)cc1)C2	ZINC000903493497	586779528	/nfs/dbraw/zinc/77/95/28/586779528.db2.gz	SWXJRRJPHDAZDZ-OLMMMNRUSA-N	2	3	347.459	0.950	20	0		ECADHP
C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)CN)C1	ZINC000415078179	208451103	/nfs/dbraw/zinc/45/11/03/208451103.db2.gz	FUMHJPQWHJGZEG-MRXNPFEDSA-N	2	3	348.491	0.914	20	0		ECADHP
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C[NH2+]C	ZINC000418366693	285277645	/nfs/dbraw/zinc/27/76/45/285277645.db2.gz	JPAQBUUQNZZQTR-CVEARBPZSA-N	2	3	327.517	0.899	20	0		ECADHP
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C[NH2+]C	ZINC000418366693	285277646	/nfs/dbraw/zinc/27/76/46/285277646.db2.gz	JPAQBUUQNZZQTR-CVEARBPZSA-N	2	3	327.517	0.899	20	0		ECADHP
C[NH+]1CC[C@]2(CCN(CC(O)CN3CC[C@]4(CC[N@@H+](C)C4)C3)C2)C1	ZINC000366542194	438088245	/nfs/dbraw/zinc/08/82/45/438088245.db2.gz	BRHKRXZWNDMYGT-OALUTQOASA-N	2	3	336.524	0.403	20	0		ECADHP
C[NH+]1CC[C@]2(CCN(CC(O)CN3CC[C@]4(CC[N@H+](C)C4)C3)C2)C1	ZINC000366542194	438088248	/nfs/dbraw/zinc/08/82/48/438088248.db2.gz	BRHKRXZWNDMYGT-OALUTQOASA-N	2	3	336.524	0.403	20	0		ECADHP
CN1CC[C@]2(CC[N@H+](CC(O)CN3CC[C@]4(CC[NH+](C)C4)C3)C2)C1	ZINC000366542194	438088254	/nfs/dbraw/zinc/08/82/54/438088254.db2.gz	BRHKRXZWNDMYGT-OALUTQOASA-N	2	3	336.524	0.403	20	0		ECADHP
CN1CC[C@]2(CC[N@@H+](CC(O)CN3CC[C@]4(CC[NH+](C)C4)C3)C2)C1	ZINC000366542194	438088257	/nfs/dbraw/zinc/08/82/57/438088257.db2.gz	BRHKRXZWNDMYGT-OALUTQOASA-N	2	3	336.524	0.403	20	0		ECADHP
CN1CC[C@]2(CC[NH+](CC(O)CN3CC[C@]4(CC[N@H+](C)C4)C3)C2)C1	ZINC000366542194	438088260	/nfs/dbraw/zinc/08/82/60/438088260.db2.gz	BRHKRXZWNDMYGT-OALUTQOASA-N	2	3	336.524	0.403	20	0		ECADHP
CN1CC[C@]2(CC[NH+](CC(O)CN3CC[C@]4(CC[N@@H+](C)C4)C3)C2)C1	ZINC000366542194	438088263	/nfs/dbraw/zinc/08/82/63/438088263.db2.gz	BRHKRXZWNDMYGT-OALUTQOASA-N	2	3	336.524	0.403	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1	ZINC000514657532	438821513	/nfs/dbraw/zinc/82/15/13/438821513.db2.gz	IBYQGEFFTSIMHX-INIZCTEOSA-N	2	3	327.517	0.853	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1	ZINC000514657532	438821517	/nfs/dbraw/zinc/82/15/17/438821517.db2.gz	IBYQGEFFTSIMHX-INIZCTEOSA-N	2	3	327.517	0.853	20	0		ECADHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000849073134	589319275	/nfs/dbraw/zinc/31/92/75/589319275.db2.gz	MGUVXWZZDOVJGX-HUUCEWRRSA-N	2	3	338.500	0.172	20	0		ECADHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000849073134	589319276	/nfs/dbraw/zinc/31/92/76/589319276.db2.gz	MGUVXWZZDOVJGX-HUUCEWRRSA-N	2	3	338.500	0.172	20	0		ECADHP
c1c([C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)[nH]nc1N1CCNCC1	ZINC000662336399	441015661	/nfs/dbraw/zinc/01/56/61/441015661.db2.gz	CXWIGOSCNDPRKS-JKSUJKDBSA-N	2	3	332.496	0.998	20	0		ECADHP
c1c([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)[nH]nc1N1CCNCC1	ZINC000662336399	441015670	/nfs/dbraw/zinc/01/56/70/441015670.db2.gz	CXWIGOSCNDPRKS-JKSUJKDBSA-N	2	3	332.496	0.998	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1	ZINC000530685360	302023147	/nfs/dbraw/zinc/02/31/47/302023147.db2.gz	XCYSAMZMJKBOEZ-CVEARBPZSA-N	2	3	327.517	0.994	20	0		ECADHP
NCC(=O)N1CCC[C@H](C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1	ZINC000629673490	440749729	/nfs/dbraw/zinc/74/97/29/440749729.db2.gz	QBTHGCFKZLXLGM-SJORKVTESA-N	2	3	338.496	0.274	20	0		ECADHP
CN1CCC[C@@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000875152342	590275907	/nfs/dbraw/zinc/27/59/07/590275907.db2.gz	QPFXIBFEFGTJCO-BZUAXINKSA-N	2	3	325.501	0.461	20	0		ECADHP
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1([NH3+])CCC1	ZINC000418518626	285244274	/nfs/dbraw/zinc/24/42/74/285244274.db2.gz	MBCLCEGXKRDSJA-OAHLLOKOSA-N	2	3	325.501	0.925	20	0		ECADHP
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1([NH3+])CCC1	ZINC000418518626	285244275	/nfs/dbraw/zinc/24/42/75/285244275.db2.gz	MBCLCEGXKRDSJA-OAHLLOKOSA-N	2	3	325.501	0.925	20	0		ECADHP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CN2CCN1CCC2	ZINC000371225291	437903165	/nfs/dbraw/zinc/90/31/65/437903165.db2.gz	HZQPRMGPOSYYLV-QGZVFWFLSA-N	2	3	339.528	0.108	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000524904432	439197516	/nfs/dbraw/zinc/19/75/16/439197516.db2.gz	LIAITCXEVXCBND-CVEARBPZSA-N	2	3	325.501	0.748	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000524904432	439197522	/nfs/dbraw/zinc/19/75/22/439197522.db2.gz	LIAITCXEVXCBND-CVEARBPZSA-N	2	3	325.501	0.748	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000583430874	439462206	/nfs/dbraw/zinc/46/22/06/439462206.db2.gz	YCTOQSKCOJIMCF-HRCADAONSA-N	2	3	325.501	0.509	20	0		ECADHP
NCc1cn(-c2cccc(C[NH2+]C3CCN(CC[NH3+])CC3)c2)nn1	ZINC000904385427	586836566	/nfs/dbraw/zinc/83/65/66/586836566.db2.gz	YPODZXJXGSEIGE-UHFFFAOYSA-N	2	3	329.452	0.239	20	0		ECADHP
COCC[N@H+](C)C[C@H](O)CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000923378560	611235486	/nfs/dbraw/zinc/23/54/86/611235486.db2.gz	JCIOGDZFCMGSJE-IKGGRYGDSA-N	2	3	329.485	0.144	20	0		ECADHP
COCC[N@@H+](C)C[C@H](O)CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1	ZINC000923378560	611235488	/nfs/dbraw/zinc/23/54/88/611235488.db2.gz	JCIOGDZFCMGSJE-IKGGRYGDSA-N	2	3	329.485	0.144	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000077778176	436253607	/nfs/dbraw/zinc/25/36/07/436253607.db2.gz	LIAITCXEVXCBND-HZPDHXFCSA-N	2	3	325.501	0.748	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000077778176	436253609	/nfs/dbraw/zinc/25/36/09/436253609.db2.gz	LIAITCXEVXCBND-HZPDHXFCSA-N	2	3	325.501	0.748	20	0		ECADHP
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1=CC[NH2+]CC1	ZINC000418535130	438156394	/nfs/dbraw/zinc/15/63/94/438156394.db2.gz	CJHRMGQRMYVTKB-QGZVFWFLSA-N	2	3	337.512	0.964	20	0		ECADHP
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1=CC[NH2+]CC1	ZINC000418535130	438156401	/nfs/dbraw/zinc/15/64/01/438156401.db2.gz	CJHRMGQRMYVTKB-QGZVFWFLSA-N	2	3	337.512	0.964	20	0		ECADHP
CCOC(=O)C1([C@H](C)NC[C@H](O)C[NH+]2CCCC2)CC[NH2+]CC1	ZINC000422978582	438623490	/nfs/dbraw/zinc/62/34/90/438623490.db2.gz	ZRYVCJRIIFDUMV-GJZGRUSLSA-N	2	3	327.469	0.354	20	0		ECADHP
C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000574987218	438730297	/nfs/dbraw/zinc/73/02/97/438730297.db2.gz	NFPBYJWDNLCOBQ-ZIAGYGMSSA-N	2	3	325.501	0.970	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000607232890	439445359	/nfs/dbraw/zinc/44/53/59/439445359.db2.gz	QTXHAKLFPYMPNX-HOTGVXAUSA-N	2	3	325.501	0.748	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000607232890	439445364	/nfs/dbraw/zinc/44/53/64/439445364.db2.gz	QTXHAKLFPYMPNX-HOTGVXAUSA-N	2	3	325.501	0.748	20	0		ECADHP
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+][C@H]1C	ZINC000627240423	440063667	/nfs/dbraw/zinc/06/36/67/440063667.db2.gz	QBBQRNCYMUAGIT-ARFHVFGLSA-N	2	3	325.501	0.794	20	0		ECADHP
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+][C@H]1C	ZINC000627240423	440063674	/nfs/dbraw/zinc/06/36/74/440063674.db2.gz	QBBQRNCYMUAGIT-ARFHVFGLSA-N	2	3	325.501	0.794	20	0		ECADHP
CN1CCC(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)(N2CCOCC2)CC1	ZINC000647800027	440156340	/nfs/dbraw/zinc/15/63/40/440156340.db2.gz	XPAYQNVJQHPICY-RCCFBDPRSA-N	2	3	336.524	0.761	20	0		ECADHP
[NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@@H]1CC2(CO1)CC[NH2+]CC2	ZINC000903748144	586804503	/nfs/dbraw/zinc/80/45/03/586804503.db2.gz	ZDRUFFDGGLGEMO-CVEARBPZSA-N	2	3	338.496	0.465	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1	ZINC000530685370	302023392	/nfs/dbraw/zinc/02/33/92/302023392.db2.gz	XCYSAMZMJKBOEZ-JKSUJKDBSA-N	2	3	327.517	0.994	20	0		ECADHP
CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1	ZINC000567893393	439194319	/nfs/dbraw/zinc/19/43/19/439194319.db2.gz	MKWYFDJIQHHARO-QGZVFWFLSA-N	2	3	339.528	0.189	20	0		ECADHP
CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1	ZINC000567893393	439194325	/nfs/dbraw/zinc/19/43/25/439194325.db2.gz	MKWYFDJIQHHARO-QGZVFWFLSA-N	2	3	339.528	0.189	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1	ZINC000892391576	586262559	/nfs/dbraw/zinc/26/25/59/586262559.db2.gz	FWAAQIMHDBULCN-HNNXBMFYSA-N	2	3	327.517	0.899	20	0		ECADHP
CN1CCC[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1	ZINC000875134277	590274236	/nfs/dbraw/zinc/27/42/36/590274236.db2.gz	ACVNWMNHOJQPQB-BZUAXINKSA-N	2	3	325.501	0.461	20	0		ECADHP
CCN(CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1	ZINC000875206485	590281590	/nfs/dbraw/zinc/28/15/90/590281590.db2.gz	KCWAASDCZZXXHZ-HZPDHXFCSA-N	2	3	339.528	0.852	20	0		ECADHP
C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)C[C@H]1C[NH+](C)C	ZINC000877143187	590440388	/nfs/dbraw/zinc/44/03/88/590440388.db2.gz	HFMXUSUZRDJRAU-KURKYZTESA-N	2	3	332.492	0.754	20	0		ECADHP
C[C@H]([NH3+])C[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000574987215	438731202	/nfs/dbraw/zinc/73/12/02/438731202.db2.gz	NFPBYJWDNLCOBQ-KBPBESRZSA-N	2	3	325.501	0.970	20	0		ECADHP
O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1)[C@H]1CCC[NH2+]1	ZINC000662266378	441000068	/nfs/dbraw/zinc/00/00/68/441000068.db2.gz	XCONEQBYAVIOKM-HRCADAONSA-N	2	3	336.480	0.088	20	0		ECADHP
O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1)[C@H]1CCC[NH2+]1	ZINC000662266378	441000073	/nfs/dbraw/zinc/00/00/73/441000073.db2.gz	XCONEQBYAVIOKM-HRCADAONSA-N	2	3	336.480	0.088	20	0		ECADHP
C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CNCCC2(F)F)C[C@H]1C[NH+](C)C	ZINC000892157478	586225347	/nfs/dbraw/zinc/22/53/47/586225347.db2.gz	SPNFNJIDCKFDDJ-MGPQQGTHSA-N	2	3	347.454	0.364	20	0		ECADHP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H](CN)c1ccc(OC)cc1)C2	ZINC000903493495	586779763	/nfs/dbraw/zinc/77/97/63/586779763.db2.gz	SWXJRRJPHDAZDZ-GGXPGOJBSA-N	2	3	347.459	0.950	20	0		ECADHP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H](CN)c1ccc(OC)cc1)C2	ZINC000903493495	586779766	/nfs/dbraw/zinc/77/97/66/586779766.db2.gz	SWXJRRJPHDAZDZ-GGXPGOJBSA-N	2	3	347.459	0.950	20	0		ECADHP
c1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)ccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1	ZINC000590929168	438969213	/nfs/dbraw/zinc/96/92/13/438969213.db2.gz	VYUIFBJWFVSCRE-WTGUMLROSA-N	2	3	326.488	0.989	20	0		ECADHP
CN1CC[NH+](C2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)CC1	ZINC000903778610	586814649	/nfs/dbraw/zinc/81/46/49/586814649.db2.gz	PCQHIPWYDHMBDC-SFHVURJKSA-N	2	3	336.524	0.857	20	0		ECADHP
C[Si](C)(CCN1C[C@@H]2C[NH2+]C[C@H]2C1)CCN1C[C@@H]2C[NH2+]C[C@H]2C1	ZINC000859086745	589798307	/nfs/dbraw/zinc/79/83/07/589798307.db2.gz	YELZHXXDQJCLQR-XSLAGTTESA-N	2	3	336.600	0.997	20	0		ECADHP
C[Si](C)(CCN1C[C@@H]2C[NH2+]C[C@H]2C1)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1	ZINC000859086745	589798308	/nfs/dbraw/zinc/79/83/08/589798308.db2.gz	YELZHXXDQJCLQR-XSLAGTTESA-N	3	3	336.600	0.997	20	0		ECADHP
COCC[N@H+](C)C[C@H](O)CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000923378563	611235547	/nfs/dbraw/zinc/23/55/47/611235547.db2.gz	JCIOGDZFCMGSJE-ULQDDVLXSA-N	2	3	329.485	0.144	20	0		ECADHP
COCC[N@@H+](C)C[C@H](O)CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1	ZINC000923378563	611235549	/nfs/dbraw/zinc/23/55/49/611235549.db2.gz	JCIOGDZFCMGSJE-ULQDDVLXSA-N	2	3	329.485	0.144	20	0		ECADHP
CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CC[NH2+]C1	ZINC000891462797	586169766	/nfs/dbraw/zinc/16/97/66/586169766.db2.gz	SFZIZWQQBBGNCS-QGZVFWFLSA-N	2	3	337.512	0.938	20	0		ECADHP
C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CC3)C2)C[C@H]1C[NH+](C)C	ZINC000875296199	590291122	/nfs/dbraw/zinc/29/11/22/590291122.db2.gz	UKIJUUQZOOOCBV-BZUAXINKSA-N	2	3	337.512	0.604	20	0		ECADHP
COCC[N@H+](C)C[C@H](O)CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000923411326	611240216	/nfs/dbraw/zinc/24/02/16/611240216.db2.gz	RBFGWPZUYSLBNY-DLBZAZTESA-N	2	3	329.485	0.016	20	0		ECADHP
COCC[N@@H+](C)C[C@H](O)CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000923411326	611240217	/nfs/dbraw/zinc/24/02/17/611240217.db2.gz	RBFGWPZUYSLBNY-DLBZAZTESA-N	2	3	329.485	0.016	20	0		ECADHP
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCC[NH2+]1	ZINC000418353821	438133543	/nfs/dbraw/zinc/13/35/43/438133543.db2.gz	AVGQNYSARRWPOY-HOTGVXAUSA-N	2	3	325.501	0.796	20	0		ECADHP
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCC[NH2+]1	ZINC000418353821	438133548	/nfs/dbraw/zinc/13/35/48/438133548.db2.gz	AVGQNYSARRWPOY-HOTGVXAUSA-N	2	3	325.501	0.796	20	0		ECADHP
CCN1CCN(c2ccccc2C[NH2+]CCN2CC[NH2+]CC2)CC1	ZINC000414865642	279375601	/nfs/dbraw/zinc/37/56/01/279375601.db2.gz	LKPJWZWNWZZZPD-UHFFFAOYSA-N	2	3	331.508	0.823	20	0		ECADHP
C[NH+]1CC[C@]2(CCN(C[C@@H](O)CN3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)C1	ZINC000366542195	438091494	/nfs/dbraw/zinc/09/14/94/438091494.db2.gz	BRHKRXZWNDMYGT-REPLKXPHSA-N	2	3	336.524	0.403	20	0		ECADHP
C[NH+]1CC[C@]2(CCN(C[C@@H](O)CN3CC[C@@]4(CC[N@H+](C)C4)C3)C2)C1	ZINC000366542195	438091495	/nfs/dbraw/zinc/09/14/95/438091495.db2.gz	BRHKRXZWNDMYGT-REPLKXPHSA-N	2	3	336.524	0.403	20	0		ECADHP
C[NH+]1CC[C@@]2(CCN(C[C@H](O)CN3CC[C@]4(CC[N@H+](C)C4)C3)C2)C1	ZINC000366542195	438091496	/nfs/dbraw/zinc/09/14/96/438091496.db2.gz	BRHKRXZWNDMYGT-REPLKXPHSA-N	2	3	336.524	0.403	20	0		ECADHP
C[NH+]1CC[C@@]2(CCN(C[C@H](O)CN3CC[C@]4(CC[N@@H+](C)C4)C3)C2)C1	ZINC000366542195	438091497	/nfs/dbraw/zinc/09/14/97/438091497.db2.gz	BRHKRXZWNDMYGT-REPLKXPHSA-N	2	3	336.524	0.403	20	0		ECADHP
c1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1CN1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000590929166	438969020	/nfs/dbraw/zinc/96/90/20/438969020.db2.gz	VYUIFBJWFVSCRE-LWYYNNOASA-N	2	3	326.488	0.989	20	0		ECADHP
C[NH+](C)C1CCN(CCNC2CC[NH+](CC(C)(C)O)CC2)CC1	ZINC000647909373	440187198	/nfs/dbraw/zinc/18/71/98/440187198.db2.gz	INMNJBVJYGKTER-UHFFFAOYSA-N	2	3	326.529	0.837	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F	ZINC000563504041	322324154	/nfs/dbraw/zinc/32/41/54/322324154.db2.gz	BRTFLZMABNWDAQ-NSHDSACASA-N	2	3	327.395	0.401	20	0		ECADHP
C[NH+]1CCC(N2CCC(NC(=O)NCCC(C)(C)[NH3+])CC2)CC1	ZINC000891463691	586169845	/nfs/dbraw/zinc/16/98/45/586169845.db2.gz	ZGVPPQJMBKFERV-UHFFFAOYSA-N	2	3	325.501	0.972	20	0		ECADHP
C[C@@H]1CCCN1CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000897518673	586337404	/nfs/dbraw/zinc/33/74/04/586337404.db2.gz	KSTHDNRJWGGWTP-BRWVUGGUSA-N	2	3	339.528	0.852	20	0		ECADHP
O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1	ZINC000866712964	589761988	/nfs/dbraw/zinc/76/19/88/589761988.db2.gz	ZDGZEFORJLVHRE-FGTMMUONSA-N	2	3	342.443	0.699	20	0		ECADHP
C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CNCCC2(F)F)C[C@H]1C[NH+](C)C	ZINC000877143883	590440327	/nfs/dbraw/zinc/44/03/27/590440327.db2.gz	XDDIBGPPPQRAPB-MGPQQGTHSA-N	2	3	332.439	0.429	20	0		ECADHP
C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCC[NH2+]C3)CC2)CC1	ZINC000333936810	297156287	/nfs/dbraw/zinc/15/62/87/297156287.db2.gz	KWVUQCTYKFNLMF-INIZCTEOSA-N	2	3	337.512	0.986	20	0		ECADHP
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCOCC[NH3+])CC1	ZINC000357067685	437902278	/nfs/dbraw/zinc/90/22/78/437902278.db2.gz	CXQTZFLZXATYMN-UHFFFAOYSA-N	2	3	328.501	0.378	20	0		ECADHP
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC[NH2+]1	ZINC000418353820	438133353	/nfs/dbraw/zinc/13/33/53/438133353.db2.gz	AVGQNYSARRWPOY-CVEARBPZSA-N	2	3	325.501	0.796	20	0		ECADHP
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC[NH2+]1	ZINC000418353820	438133357	/nfs/dbraw/zinc/13/33/57/438133357.db2.gz	AVGQNYSARRWPOY-CVEARBPZSA-N	2	3	325.501	0.796	20	0		ECADHP
O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1	ZINC000866712965	589762223	/nfs/dbraw/zinc/76/22/23/589762223.db2.gz	ZDGZEFORJLVHRE-OKZBNKHCSA-N	2	3	342.443	0.699	20	0		ECADHP
COCC[N@H+](C)C[C@@H](O)CN1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000923411329	611240230	/nfs/dbraw/zinc/24/02/30/611240230.db2.gz	RBFGWPZUYSLBNY-SJORKVTESA-N	2	3	329.485	0.016	20	0		ECADHP
COCC[N@@H+](C)C[C@@H](O)CN1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000923411329	611240231	/nfs/dbraw/zinc/24/02/31/611240231.db2.gz	RBFGWPZUYSLBNY-SJORKVTESA-N	2	3	329.485	0.016	20	0		ECADHP
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]([NH3+])C1CC1	ZINC000418494311	285277897	/nfs/dbraw/zinc/27/78/97/285277897.db2.gz	XNCJBBAQSXEDMY-JKSUJKDBSA-N	2	3	325.501	0.781	20	0		ECADHP
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]([NH3+])C1CC1	ZINC000418494311	285277900	/nfs/dbraw/zinc/27/79/00/285277900.db2.gz	XNCJBBAQSXEDMY-JKSUJKDBSA-N	2	3	325.501	0.781	20	0		ECADHP
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCC[NH2+]1	ZINC000418353823	438133863	/nfs/dbraw/zinc/13/38/63/438133863.db2.gz	AVGQNYSARRWPOY-JKSUJKDBSA-N	2	3	325.501	0.796	20	0		ECADHP
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCC[NH2+]1	ZINC000418353823	438133866	/nfs/dbraw/zinc/13/38/66/438133866.db2.gz	AVGQNYSARRWPOY-JKSUJKDBSA-N	2	3	325.501	0.796	20	0		ECADHP
CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1	ZINC000414743669	438716190	/nfs/dbraw/zinc/71/61/90/438716190.db2.gz	NMNGERIIRMDZFG-IRXDYDNUSA-N	2	3	340.512	0.616	20	0		ECADHP
CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1	ZINC000414743669	438716192	/nfs/dbraw/zinc/71/61/92/438716192.db2.gz	NMNGERIIRMDZFG-IRXDYDNUSA-N	2	3	340.512	0.616	20	0		ECADHP
C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CNCCC2(F)F)C[C@H]1C[NH+](C)C	ZINC000892157477	586224901	/nfs/dbraw/zinc/22/49/01/586224901.db2.gz	SPNFNJIDCKFDDJ-MCIONIFRSA-N	2	3	347.454	0.364	20	0		ECADHP
C[C@@H]1CCN(CCNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1	ZINC000897469110	586327587	/nfs/dbraw/zinc/32/75/87/586327587.db2.gz	DFQLWWUBZOSETD-BRWVUGGUSA-N	2	3	339.528	0.709	20	0		ECADHP
C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](CN)c2ccccc2)C[C@H]1C[NH+](C)C	ZINC000877142971	590440406	/nfs/dbraw/zinc/44/04/06/590440406.db2.gz	BLOPZVYOZMRBRY-KURKYZTESA-N	2	3	332.492	0.927	20	0		ECADHP
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[NH2+]C1	ZINC000418374494	285245148	/nfs/dbraw/zinc/24/51/48/285245148.db2.gz	CSGILZVRBIZWDF-JKSUJKDBSA-N	2	3	325.501	0.796	20	0		ECADHP
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[NH2+]C1	ZINC000418374494	285245151	/nfs/dbraw/zinc/24/51/51/285245151.db2.gz	CSGILZVRBIZWDF-JKSUJKDBSA-N	2	3	325.501	0.796	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000524904433	439197738	/nfs/dbraw/zinc/19/77/38/439197738.db2.gz	LIAITCXEVXCBND-HOTGVXAUSA-N	2	3	325.501	0.748	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000524904433	439197744	/nfs/dbraw/zinc/19/77/44/439197744.db2.gz	LIAITCXEVXCBND-HOTGVXAUSA-N	2	3	325.501	0.748	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1	ZINC000566668417	322548054	/nfs/dbraw/zinc/54/80/54/322548054.db2.gz	BYOAJAQGATWEAF-JKSUJKDBSA-N	2	3	325.501	0.509	20	0		ECADHP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H](CN)Cc1cnn(C)c1C)C2	ZINC000903976866	586828601	/nfs/dbraw/zinc/82/86/01/586828601.db2.gz	FSKKXJINVKBZIY-SCNOPHJPSA-N	2	3	349.479	0.058	20	0		ECADHP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H](CN)Cc1cnn(C)c1C)C2	ZINC000903976866	586828603	/nfs/dbraw/zinc/82/86/03/586828603.db2.gz	FSKKXJINVKBZIY-SCNOPHJPSA-N	2	3	349.479	0.058	20	0		ECADHP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@H](C[NH3+])Cc1cnn(C)c1C)C2	ZINC000903976866	586828606	/nfs/dbraw/zinc/82/86/06/586828606.db2.gz	FSKKXJINVKBZIY-SCNOPHJPSA-N	2	3	349.479	0.058	20	0		ECADHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000849073135	589319233	/nfs/dbraw/zinc/31/92/33/589319233.db2.gz	MGUVXWZZDOVJGX-LSDHHAIUSA-N	2	3	338.500	0.172	20	0		ECADHP
CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000849073135	589319234	/nfs/dbraw/zinc/31/92/34/589319234.db2.gz	MGUVXWZZDOVJGX-LSDHHAIUSA-N	2	3	338.500	0.172	20	0		ECADHP
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)C[NH2+]C	ZINC000418366699	285244340	/nfs/dbraw/zinc/24/43/40/285244340.db2.gz	JPAQBUUQNZZQTR-JKSUJKDBSA-N	2	3	327.517	0.899	20	0		ECADHP
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)C[NH2+]C	ZINC000418366699	285244341	/nfs/dbraw/zinc/24/43/41/285244341.db2.gz	JPAQBUUQNZZQTR-JKSUJKDBSA-N	2	3	327.517	0.899	20	0		ECADHP
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1([NH3+])CCC1	ZINC000418518625	285277497	/nfs/dbraw/zinc/27/74/97/285277497.db2.gz	MBCLCEGXKRDSJA-HNNXBMFYSA-N	2	3	325.501	0.925	20	0		ECADHP
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1([NH3+])CCC1	ZINC000418518625	285277500	/nfs/dbraw/zinc/27/75/00/285277500.db2.gz	MBCLCEGXKRDSJA-HNNXBMFYSA-N	2	3	325.501	0.925	20	0		ECADHP
CCOC(=O)C1([C@@H](C)[NH2+]C[C@]2(COC)CCCN2)CC[NH2+]CC1	ZINC000423418013	438673984	/nfs/dbraw/zinc/67/39/84/438673984.db2.gz	TYXFUANHZWBBHY-ZBFHGGJFSA-N	2	3	327.469	0.666	20	0		ECADHP
CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1	ZINC000414743672	438717091	/nfs/dbraw/zinc/71/70/91/438717091.db2.gz	NMNGERIIRMDZFG-SJORKVTESA-N	2	3	340.512	0.616	20	0		ECADHP
CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1	ZINC000414743672	438717094	/nfs/dbraw/zinc/71/70/94/438717094.db2.gz	NMNGERIIRMDZFG-SJORKVTESA-N	2	3	340.512	0.616	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1	ZINC000641860198	439929183	/nfs/dbraw/zinc/92/91/83/439929183.db2.gz	RMDNHOSZZYAZLZ-WKILWMFISA-N	2	3	327.517	0.886	20	0		ECADHP
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[NH2+]C1CC1	ZINC000637347432	440238800	/nfs/dbraw/zinc/23/88/00/440238800.db2.gz	GTYUCKYMZPGOKL-MRXNPFEDSA-N	2	3	325.501	0.796	20	0		ECADHP
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[NH2+]C1CC1	ZINC000637347432	440238803	/nfs/dbraw/zinc/23/88/03/440238803.db2.gz	GTYUCKYMZPGOKL-MRXNPFEDSA-N	2	3	325.501	0.796	20	0		ECADHP
COCC[N@H+](C)C[C@H](O)CN1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000923411328	611240266	/nfs/dbraw/zinc/24/02/66/611240266.db2.gz	RBFGWPZUYSLBNY-IRXDYDNUSA-N	2	3	329.485	0.016	20	0		ECADHP
COCC[N@@H+](C)C[C@H](O)CN1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000923411328	611240267	/nfs/dbraw/zinc/24/02/67/611240267.db2.gz	RBFGWPZUYSLBNY-IRXDYDNUSA-N	2	3	329.485	0.016	20	0		ECADHP
c1c([C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)[nH]nc1N1CCNCC1	ZINC000662336393	441015201	/nfs/dbraw/zinc/01/52/01/441015201.db2.gz	CXWIGOSCNDPRKS-HOTGVXAUSA-N	2	3	332.496	0.998	20	0		ECADHP
c1c([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)[nH]nc1N1CCNCC1	ZINC000662336393	441015207	/nfs/dbraw/zinc/01/52/07/441015207.db2.gz	CXWIGOSCNDPRKS-HOTGVXAUSA-N	2	3	332.496	0.998	20	0		ECADHP
C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(CN2CC[NH2+]CC2)cc1	ZINC000925816700	611503225	/nfs/dbraw/zinc/50/32/25/611503225.db2.gz	JDQNHSHUMBXIFI-KFKAGJAMSA-N	2	3	332.492	0.934	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NCCC1CC[NH+](C)CC1	ZINC000077809976	296621913	/nfs/dbraw/zinc/62/19/13/296621913.db2.gz	MJIMKUXOMWUSHI-UHFFFAOYSA-N	2	3	327.517	0.853	20	0		ECADHP
O=C1N[C@@H]2CN(CCC3CC[NH2+]CC3)CC[C@@H]2N1C1CC[NH2+]CC1	ZINC000575046916	438734399	/nfs/dbraw/zinc/73/43/99/438734399.db2.gz	XXTPDPRDRRMDTR-SJORKVTESA-N	2	3	335.496	0.596	20	0		ECADHP
c1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1	ZINC000590929167	438969854	/nfs/dbraw/zinc/96/98/54/438969854.db2.gz	VYUIFBJWFVSCRE-MUGJNUQGSA-N	2	3	326.488	0.989	20	0		ECADHP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccc(N3CC[NH2+]CC3)o1)C2	ZINC000904389249	586836800	/nfs/dbraw/zinc/83/68/00/586836800.db2.gz	VOOABPREEKBUHK-IYOUNJFTSA-N	2	3	348.447	0.402	20	0		ECADHP
C[Si](C)(CCN1C[C@H]2C[NH2+]C[C@H]2C1)CCN1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000859086743	589798425	/nfs/dbraw/zinc/79/84/25/589798425.db2.gz	YELZHXXDQJCLQR-USTZCAOPSA-N	2	3	336.600	0.997	20	0		ECADHP
C[Si](C)(CCN1C[C@H]2C[NH2+]C[C@H]2C1)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000859086743	589798426	/nfs/dbraw/zinc/79/84/26/589798426.db2.gz	YELZHXXDQJCLQR-USTZCAOPSA-N	3	3	336.600	0.997	20	0		ECADHP
C[Si](C)(CCN1C[C@H]2C[NH2+]C[C@H]2C1)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000859086743	589798428	/nfs/dbraw/zinc/79/84/28/589798428.db2.gz	YELZHXXDQJCLQR-USTZCAOPSA-N	3	3	336.600	0.997	20	0		ECADHP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CN2CCN1CCC2	ZINC000371225290	437901804	/nfs/dbraw/zinc/90/18/04/437901804.db2.gz	HZQPRMGPOSYYLV-KRWDZBQOSA-N	2	3	339.528	0.108	20	0		ECADHP
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000659618555	440375874	/nfs/dbraw/zinc/37/58/74/440375874.db2.gz	NSLARJIVIMGOLL-UPTPFMHGSA-N	2	3	337.512	0.796	20	0		ECADHP
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000659618555	440375878	/nfs/dbraw/zinc/37/58/78/440375878.db2.gz	NSLARJIVIMGOLL-UPTPFMHGSA-N	2	3	337.512	0.796	20	0		ECADHP
c1c([C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)[nH]nc1N1CCNCC1	ZINC000662336396	441015591	/nfs/dbraw/zinc/01/55/91/441015591.db2.gz	CXWIGOSCNDPRKS-HZPDHXFCSA-N	2	3	332.496	0.998	20	0		ECADHP
c1c([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)[nH]nc1N1CCNCC1	ZINC000662336396	441015598	/nfs/dbraw/zinc/01/55/98/441015598.db2.gz	CXWIGOSCNDPRKS-HZPDHXFCSA-N	2	3	332.496	0.998	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2	ZINC000572377136	322743717	/nfs/dbraw/zinc/74/37/17/322743717.db2.gz	MKRKWEUUDFMUFQ-OAHLLOKOSA-N	2	3	348.495	0.855	20	0		ECADHP
CN1CC[NH+](C2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)CC1	ZINC000903778609	586814166	/nfs/dbraw/zinc/81/41/66/586814166.db2.gz	PCQHIPWYDHMBDC-GOSISDBHSA-N	2	3	336.524	0.857	20	0		ECADHP
c1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)ccc1CN1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000590929165	438970444	/nfs/dbraw/zinc/97/04/44/438970444.db2.gz	VYUIFBJWFVSCRE-FGYAAKKASA-N	2	3	326.488	0.989	20	0		ECADHP
COCC[N@H+](C)C[C@@H](O)CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000923411327	611240205	/nfs/dbraw/zinc/24/02/05/611240205.db2.gz	RBFGWPZUYSLBNY-IAGOWNOFSA-N	2	3	329.485	0.016	20	0		ECADHP
COCC[N@@H+](C)C[C@@H](O)CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000923411327	611240206	/nfs/dbraw/zinc/24/02/06/611240206.db2.gz	RBFGWPZUYSLBNY-IAGOWNOFSA-N	2	3	329.485	0.016	20	0		ECADHP
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1	ZINC000892558860	586273564	/nfs/dbraw/zinc/27/35/64/586273564.db2.gz	DMPQFVSBOUIQRE-XHSDSOJGSA-N	2	3	325.501	0.781	20	0		ECADHP
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1	ZINC000892558860	586273565	/nfs/dbraw/zinc/27/35/65/586273565.db2.gz	DMPQFVSBOUIQRE-XHSDSOJGSA-N	2	3	325.501	0.781	20	0		ECADHP
C[C@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)N(C)C1CC1	ZINC000875240461	590286110	/nfs/dbraw/zinc/28/61/10/590286110.db2.gz	RMHAMFAQIUNXNI-BZUAXINKSA-N	2	3	339.528	0.850	20	0		ECADHP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1[nH]nc2c1CNCC2	ZINC000188916415	165003233	/nfs/dbraw/zinc/00/32/33/165003233.db2.gz	XQEYVCDYVXPRRZ-UHFFFAOYSA-N	2	3	336.484	0.401	20	0		ECADHP
CCOC(=O)C1([C@H](C)NC[C@@H](O)C[NH+]2CCCC2)CC[NH2+]CC1	ZINC000422978584	438623514	/nfs/dbraw/zinc/62/35/14/438623514.db2.gz	ZRYVCJRIIFDUMV-LSDHHAIUSA-N	2	3	327.469	0.354	20	0		ECADHP
CN(C[C@H](O)C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CC1	ZINC000580710002	439120677	/nfs/dbraw/zinc/12/06/77/439120677.db2.gz	ROVGKULINUPKJI-GOSISDBHSA-N	2	3	338.540	0.981	20	0		ECADHP
CN1CCC[C@@H]1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C	ZINC000339933847	321004631	/nfs/dbraw/zinc/00/46/31/321004631.db2.gz	HICRJKPOGLWHIZ-MRXNPFEDSA-N	2	3	327.517	0.996	20	0		ECADHP
CN1CCC(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)(N2CCOCC2)CC1	ZINC000647800026	440154907	/nfs/dbraw/zinc/15/49/07/440154907.db2.gz	XPAYQNVJQHPICY-OKZBNKHCSA-N	2	3	336.524	0.761	20	0		ECADHP
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[NH2+]C1CC1	ZINC000637347431	440238719	/nfs/dbraw/zinc/23/87/19/440238719.db2.gz	GTYUCKYMZPGOKL-INIZCTEOSA-N	2	3	325.501	0.796	20	0		ECADHP
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[NH2+]C1CC1	ZINC000637347431	440238725	/nfs/dbraw/zinc/23/87/25/440238725.db2.gz	GTYUCKYMZPGOKL-INIZCTEOSA-N	2	3	325.501	0.796	20	0		ECADHP
C[C@H]1[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCN1C	ZINC000925343313	611289965	/nfs/dbraw/zinc/28/99/65/611289965.db2.gz	HKNDANBHFWNYLY-ZJIFWQFVSA-N	2	3	325.501	0.460	20	0		ECADHP
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000659618554	440374977	/nfs/dbraw/zinc/37/49/77/440374977.db2.gz	NSLARJIVIMGOLL-PQUAAJSLSA-N	2	3	337.512	0.796	20	0		ECADHP
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000659618554	440374981	/nfs/dbraw/zinc/37/49/81/440374981.db2.gz	NSLARJIVIMGOLL-PQUAAJSLSA-N	2	3	337.512	0.796	20	0		ECADHP
CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CC[NH2+]C1	ZINC000891462796	586169718	/nfs/dbraw/zinc/16/97/18/586169718.db2.gz	SFZIZWQQBBGNCS-KRWDZBQOSA-N	2	3	337.512	0.938	20	0		ECADHP
C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(CCO)CC1	ZINC000341950557	437931153	/nfs/dbraw/zinc/93/11/53/437931153.db2.gz	IMXGTFNTHWDPPF-KURKYZTESA-N	2	3	326.529	0.695	20	0		ECADHP
C[C@@H]([NH3+])C[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000574987216	438730148	/nfs/dbraw/zinc/73/01/48/438730148.db2.gz	NFPBYJWDNLCOBQ-KGLIPLIRSA-N	2	3	325.501	0.970	20	0		ECADHP
c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1	ZINC000590928186	438970406	/nfs/dbraw/zinc/97/04/06/438970406.db2.gz	LAFZWCXSGPKLDA-LWYYNNOASA-N	2	3	326.488	0.989	20	0		ECADHP
CN(C[C@@H](O)C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CC1	ZINC000580710004	439121421	/nfs/dbraw/zinc/12/14/21/439121421.db2.gz	ROVGKULINUPKJI-SFHVURJKSA-N	2	3	338.540	0.981	20	0		ECADHP
NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000650724253	440675664	/nfs/dbraw/zinc/67/56/64/440675664.db2.gz	AYKBPVXTIIFEHX-TWMKSMIVSA-N	2	3	338.496	0.545	20	0		ECADHP
NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)C1	ZINC000650724253	440675665	/nfs/dbraw/zinc/67/56/65/440675665.db2.gz	AYKBPVXTIIFEHX-TWMKSMIVSA-N	2	3	338.496	0.545	20	0		ECADHP
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1	ZINC000892558859	586273570	/nfs/dbraw/zinc/27/35/70/586273570.db2.gz	DMPQFVSBOUIQRE-OWCLPIDISA-N	2	3	325.501	0.781	20	0		ECADHP
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1	ZINC000892558859	586273572	/nfs/dbraw/zinc/27/35/72/586273572.db2.gz	DMPQFVSBOUIQRE-OWCLPIDISA-N	2	3	325.501	0.781	20	0		ECADHP
CC[NH+]1CCC(N2CCCN(C[C@@H](O)C[NH+]3CCCC3)CC2)CC1	ZINC000817286010	587338356	/nfs/dbraw/zinc/33/83/56/587338356.db2.gz	FZQPWZNZIIIGRA-IBGZPJMESA-N	2	3	338.540	0.935	20	0		ECADHP
COC[C@@]1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCCCN1	ZINC000877144265	590440198	/nfs/dbraw/zinc/44/01/98/590440198.db2.gz	JETSNHQSIHWTOI-JFIYKMOQSA-N	2	3	340.512	0.343	20	0		ECADHP
N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1	ZINC000923451987	611245743	/nfs/dbraw/zinc/24/57/43/611245743.db2.gz	ROZDROFEJGXTNS-SQNIBIBYSA-N	2	3	333.476	0.747	20	0		ECADHP
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CC[NH2+]CC1	ZINC000418313702	285277766	/nfs/dbraw/zinc/27/77/66/285277766.db2.gz	VZQHDOPKCHGRSE-INIZCTEOSA-N	2	3	325.501	0.796	20	0		ECADHP
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CC[NH2+]CC1	ZINC000418313702	285277767	/nfs/dbraw/zinc/27/77/67/285277767.db2.gz	VZQHDOPKCHGRSE-INIZCTEOSA-N	2	3	325.501	0.796	20	0		ECADHP
CN1CCC(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)(N2CCOCC2)CC1	ZINC000647800024	440154879	/nfs/dbraw/zinc/15/48/79/440154879.db2.gz	XPAYQNVJQHPICY-FGTMMUONSA-N	2	3	336.524	0.761	20	0		ECADHP
CN(C)CCN(CC[NH+](C)C)C(=O)NC1CCC([NH+](C)C)CC1	ZINC000567603816	322589070	/nfs/dbraw/zinc/58/90/70/322589070.db2.gz	YLGFOZWIENOVFU-UHFFFAOYSA-N	2	3	327.517	0.994	20	0		ECADHP