smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccccc1C[N@@H+]1CCN(c2cc(C#N)ncn2)[C@H](C)C1	ZINC000242100052	243010762	/nfs/dbraw/zinc/01/07/62/243010762.db2.gz	WDXQBSZWXNKMFW-OAHLLOKOSA-N	1	1	337.427	2.458	40	30		EEEBMO
CCOc1ccccc1C[N@H+]1CCN(c2cc(C#N)ncn2)[C@H](C)C1	ZINC000242100052	243010766	/nfs/dbraw/zinc/01/07/66/243010766.db2.gz	WDXQBSZWXNKMFW-OAHLLOKOSA-N	1	1	337.427	2.458	40	30		EEEBMO
Cn1ccnc1C[N@@H+]1CC[C@]2(C[C@@H](Nc3cccc(C#N)c3)CO2)C1	ZINC000107225976	204228773	/nfs/dbraw/zinc/22/87/73/204228773.db2.gz	FZUFKLLDPCIILT-MJGOQNOKSA-N	1	1	337.427	2.137	40	30		EEEBMO
Cn1ccnc1C[N@H+]1CC[C@]2(C[C@@H](Nc3cccc(C#N)c3)CO2)C1	ZINC000107225976	204228778	/nfs/dbraw/zinc/22/87/78/204228778.db2.gz	FZUFKLLDPCIILT-MJGOQNOKSA-N	1	1	337.427	2.137	40	30		EEEBMO
CCNC(NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1)=[NH+]CC	ZINC000066244144	275804348	/nfs/dbraw/zinc/80/43/48/275804348.db2.gz	SMUDSGWFKHTAGI-HOTGVXAUSA-N	1	1	332.492	2.371	40	30		EEEBMO
N#Cc1ccccc1CSCCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000171898821	463944926	/nfs/dbraw/zinc/94/49/26/463944926.db2.gz	VXOHDAKTTHKNGV-QGZVFWFLSA-N	1	1	344.484	2.281	40	30		EEEBMO
COc1c(C)c[nH+]c(CN2CCN(c3ccc(C#N)cn3)CC2)c1C	ZINC000096403673	463237973	/nfs/dbraw/zinc/23/79/73/463237973.db2.gz	SMZMTLVDICHZEH-UHFFFAOYSA-N	1	1	337.427	2.296	40	30		EEEBMO
N#Cc1ccccc1CSCCNC(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000171898822	463944742	/nfs/dbraw/zinc/94/47/42/463944742.db2.gz	VXOHDAKTTHKNGV-KRWDZBQOSA-N	1	1	344.484	2.281	40	30		EEEBMO
CCNC(NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)=[NH+]CC	ZINC000066244143	462866544	/nfs/dbraw/zinc/86/65/44/462866544.db2.gz	SMUDSGWFKHTAGI-HZPDHXFCSA-N	1	1	332.492	2.371	40	30		EEEBMO
C[C@@H](C1CC1)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000096492668	463288147	/nfs/dbraw/zinc/28/81/47/463288147.db2.gz	BPPUYJRWLAJTKN-HOCLYGCPSA-N	1	1	346.500	2.187	40	30		EEEBMO
Cc1c(C#N)cccc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000190312238	533730182	/nfs/dbraw/zinc/73/01/82/533730182.db2.gz	CCSYZFUMVGZBFQ-OAHLLOKOSA-N	1	1	328.416	2.053	40	30		EEEBMO
CC(C)CNC(=O)C1=NO[C@]2(CC[N@H+](Cc3cccc(C#N)c3)C2)C1	ZINC000096225448	463221113	/nfs/dbraw/zinc/22/11/13/463221113.db2.gz	CEVRWONLRIZZHI-LJQANCHMSA-N	1	1	340.427	2.051	40	30		EEEBMO
CC(C)CNC(=O)C1=NO[C@]2(CC[N@@H+](Cc3cccc(C#N)c3)C2)C1	ZINC000096225448	463221120	/nfs/dbraw/zinc/22/11/20/463221120.db2.gz	CEVRWONLRIZZHI-LJQANCHMSA-N	1	1	340.427	2.051	40	30		EEEBMO
C=CC[N@H+]1C[C@@H]2CN(C(=O)c3ccoc3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055980	463157900	/nfs/dbraw/zinc/15/79/00/463157900.db2.gz	QWALPROXYLQEGP-APWZRJJASA-N	1	1	346.427	2.183	40	30		EEEBMO
N#Cc1ccc(N2CC[NH+](CCOC[C@H]3CCCO3)CC2)c(F)c1	ZINC000096421103	463252636	/nfs/dbraw/zinc/25/26/36/463252636.db2.gz	KWEOPOQWGJVEMW-MRXNPFEDSA-N	1	1	333.407	2.015	40	30		EEEBMO
Cc1cc(F)cc2c1ncc(C#N)c2NC[C@H]1C[N@H+](C)CCN1C	ZINC000096429467	463258883	/nfs/dbraw/zinc/25/88/83/463258883.db2.gz	USPIFRNDQDKLHQ-HNNXBMFYSA-N	1	1	327.407	2.212	40	30		EEEBMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(F)c1	ZINC000195545862	464074926	/nfs/dbraw/zinc/07/49/26/464074926.db2.gz	JDASMNASNYZSKT-KRWDZBQOSA-N	1	1	326.371	2.495	40	30		EEEBMO
Cc1ccc(C#N)cc1NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000078550172	274736291	/nfs/dbraw/zinc/73/62/91/274736291.db2.gz	DCOWBEPIWDSKNT-MRXNPFEDSA-N	1	1	328.416	2.195	40	30		EEEBMO
C#C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(N(C)C)cc1	ZINC000008254602	462775012	/nfs/dbraw/zinc/77/50/12/462775012.db2.gz	DTTJJVZOCATUDS-RLFYNMQTSA-N	1	1	342.512	2.383	40	30	biogenic,in-vitro	EEEBMO
C[C@@H]1C[C@H](OC[C@@H](S)C[NH+]2CCN(CO)CC2)CC(C)(C)C1	ZINC000033532818	525457189	/nfs/dbraw/zinc/45/71/89/525457189.db2.gz	ICRJMXAQCCNBSP-PMPSAXMXSA-N	1	1	330.538	2.084	40	30		EEEBMO
CN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000078078620	202395149	/nfs/dbraw/zinc/39/51/49/202395149.db2.gz	YECYZWSGISCGGA-HXUWFJFHSA-N	1	1	349.434	2.418	40	30		EEEBMO
CN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000078078620	202395153	/nfs/dbraw/zinc/39/51/53/202395153.db2.gz	YECYZWSGISCGGA-HXUWFJFHSA-N	1	1	349.434	2.418	40	30		EEEBMO
C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000078489487	202396633	/nfs/dbraw/zinc/39/66/33/202396633.db2.gz	ARQHRIGUMSTLKY-UHFFFAOYSA-N	1	1	347.415	2.454	40	30		EEEBMO
N#Cc1ccc(C(F)(F)F)c(N2CC[C@@H]([NH+]3CCOCC3)C2)c1	ZINC000097096934	274922311	/nfs/dbraw/zinc/92/23/11/274922311.db2.gz	WERMPKGDYICIBU-CYBMUJFWSA-N	1	1	325.334	2.488	40	30		EEEBMO
Cc1c([N+](=O)[O-])cc(C#N)cc1N1CCC[C@@H]1C[NH+]1CCOCC1	ZINC000195570804	464079315	/nfs/dbraw/zinc/07/93/15/464079315.db2.gz	RFYJWFIIHWNLRJ-OAHLLOKOSA-N	1	1	330.388	2.076	40	30		EEEBMO
C=CC[N@@H+]1CCC[C@]2(CC1)CN(C(=O)COC)Cc1ccccc1O2	ZINC000012365582	462851273	/nfs/dbraw/zinc/85/12/73/462851273.db2.gz	OAJDJGOHFPOEMT-FQEVSTJZSA-N	1	1	344.455	2.465	40	30		EEEBMO
C#CC1(OC[C@H](O)C[N@H+](CCO)Cc2ccccc2)CCCCC1	ZINC000096305974	463234088	/nfs/dbraw/zinc/23/40/88/463234088.db2.gz	VCYFDUOGLKXOSA-LJQANCHMSA-N	1	1	331.456	2.195	40	30		EEEBMO
N#Cc1cccc(CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)c1	ZINC000097236031	463352089	/nfs/dbraw/zinc/35/20/89/463352089.db2.gz	BVCRNYVOOFZERN-KDURUIRLSA-N	1	1	345.402	2.175	40	30		EEEBMO
Cn1cc(C[N@H+]2CC[C@]3(C[C@@H](Nc4cccc(C#N)c4)CO3)C2)cn1	ZINC000107225968	463562138	/nfs/dbraw/zinc/56/21/38/463562138.db2.gz	DYIABHPWKCEFNE-MOPGFXCFSA-N	1	1	337.427	2.137	40	30		EEEBMO
C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000247986926	464721790	/nfs/dbraw/zinc/72/17/90/464721790.db2.gz	ZJGHUXRTLFXBMS-GVDBMIGSSA-N	1	1	348.468	2.077	40	30		EEEBMO
C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000247986926	464721794	/nfs/dbraw/zinc/72/17/94/464721794.db2.gz	ZJGHUXRTLFXBMS-GVDBMIGSSA-N	1	1	348.468	2.077	40	30		EEEBMO
N#Cc1ccc(OCC[C@H]2CO[C@H]3C[N@@H+](CC4CCC4)C[C@@H]23)nc1	ZINC000306131716	466490921	/nfs/dbraw/zinc/49/09/21/466490921.db2.gz	KNQGWWULNOGKJS-BZSNNMDCSA-N	1	1	327.428	2.469	40	30		EEEBMO
N#Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CC[N@H+]3CC2CCOCC2)cc1	ZINC000096184476	463195940	/nfs/dbraw/zinc/19/59/40/463195940.db2.gz	XKXDFPPDFLJARQ-RBUKOAKNSA-N	1	1	339.439	2.274	40	30		EEEBMO
Cc1c(C#N)cccc1NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000193929080	463761474	/nfs/dbraw/zinc/76/14/74/463761474.db2.gz	MBWCNNFXFJIUKS-OKILXGFUSA-N	1	1	330.432	2.440	40	30		EEEBMO
Cc1c(C#N)cccc1NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000193929080	463761477	/nfs/dbraw/zinc/76/14/77/463761477.db2.gz	MBWCNNFXFJIUKS-OKILXGFUSA-N	1	1	330.432	2.440	40	30		EEEBMO
CC(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(C#N)cc1)C2	ZINC000585104687	468972373	/nfs/dbraw/zinc/97/23/73/468972373.db2.gz	QXSKYDGKHVZLPF-HXUWFJFHSA-N	1	1	341.455	2.265	40	30		EEEBMO
C=CCOc1cccc(NC(=S)NCCC[NH+]2CCOCC2)c1	ZINC000063790958	462672148	/nfs/dbraw/zinc/67/21/48/462672148.db2.gz	JCGFVVZXUIUKGY-UHFFFAOYSA-N	1	1	335.473	2.260	40	30		EEEBMO
C[N@@H+](CC(=O)NCC#N)CC1(c2ccc(Br)cc2)CC1	ZINC000096421180	463253231	/nfs/dbraw/zinc/25/32/31/463253231.db2.gz	CRPCQCOTWFOPJL-UHFFFAOYSA-N	1	1	336.233	2.052	40	30		EEEBMO
C[C@@H]1C[C@H](OC[C@H](S)C[NH+]2CCN(CO)CC2)CC(C)(C)C1	ZINC000022872265	525457020	/nfs/dbraw/zinc/45/70/20/525457020.db2.gz	ICRJMXAQCCNBSP-OWCLPIDISA-N	1	1	330.538	2.084	40	30		EEEBMO
O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3/C(=N/O)[C@H]4CC[C@@H]3C4)CC2)cc1	ZINC000016428107	275036182	/nfs/dbraw/zinc/03/61/82/275036182.db2.gz	ZCCKXNDQPASUOS-VOOVJWJJSA-N	1	1	330.388	2.346	40	30		EEEBMO
N#Cc1cccc(N[C@@H]2CO[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2)n1	ZINC000096047683	463152335	/nfs/dbraw/zinc/15/23/35/463152335.db2.gz	HCNZCQCOJCSWJV-HKUYNNGSSA-N	1	1	335.411	2.194	40	30		EEEBMO
Cn1ccnc1C[N@@H+]1CC[C@@]2(C[C@H](Nc3cccc(C#N)c3)CO2)C1	ZINC000096218878	463216359	/nfs/dbraw/zinc/21/63/59/463216359.db2.gz	FZUFKLLDPCIILT-PKOBYXMFSA-N	1	1	337.427	2.137	40	30		EEEBMO
Cn1ccnc1C[N@H+]1CC[C@@]2(C[C@H](Nc3cccc(C#N)c3)CO2)C1	ZINC000096218878	463216361	/nfs/dbraw/zinc/21/63/61/463216361.db2.gz	FZUFKLLDPCIILT-PKOBYXMFSA-N	1	1	337.427	2.137	40	30		EEEBMO
Cc1c(C#N)cccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C	ZINC000186718509	464057932	/nfs/dbraw/zinc/05/79/32/464057932.db2.gz	JMMIUKUHZUVNET-ZDUSSCGKSA-N	1	1	330.432	2.176	40	30		EEEBMO
CCOC[C@H]1CC[N@@H+](C)C2(CN(C(=O)c3cccc(C#N)c3)C2)C1	ZINC000306127294	466488816	/nfs/dbraw/zinc/48/88/16/466488816.db2.gz	FUOFAGWYWJSUCP-INIZCTEOSA-N	1	1	327.428	2.131	40	30		EEEBMO
N#Cc1ccc(S(=O)(=O)CC[NH+]2CCc3ccccc3CC2)cc1	ZINC000081513538	463450880	/nfs/dbraw/zinc/45/08/80/463450880.db2.gz	JNOHDEAPVDLWIG-UHFFFAOYSA-N	1	1	340.448	2.433	40	30		EEEBMO
Cn1cncc1C[N@H+]1CC[C@]2(C[C@@H](Nc3cccc(C#N)c3)CO2)C1	ZINC000107225983	463562850	/nfs/dbraw/zinc/56/28/50/463562850.db2.gz	QMEPEBBTVBUHJS-MJGOQNOKSA-N	1	1	337.427	2.137	40	30		EEEBMO
OC1CN(CC#Cc2ccccc2)CC[N@H+](CC#Cc2ccccc2)C1	ZINC000253428801	465012468	/nfs/dbraw/zinc/01/24/68/465012468.db2.gz	FCEXCERRPNHCSO-UHFFFAOYSA-N	1	1	344.458	2.068	40	30		EEEBMO
OC1CN(CC#Cc2ccccc2)CC[N@@H+](CC#Cc2ccccc2)C1	ZINC000253428801	465012474	/nfs/dbraw/zinc/01/24/74/465012474.db2.gz	FCEXCERRPNHCSO-UHFFFAOYSA-N	1	1	344.458	2.068	40	30		EEEBMO
C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1COc1ccccc1)C1CC1	ZINC000079090824	463188280	/nfs/dbraw/zinc/18/82/80/463188280.db2.gz	JQZHPILZXPSPNG-VQIMIIECSA-N	1	1	327.428	2.338	40	30		EEEBMO
C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1COc1ccccc1)C1CC1	ZINC000079090824	463188287	/nfs/dbraw/zinc/18/82/87/463188287.db2.gz	JQZHPILZXPSPNG-VQIMIIECSA-N	1	1	327.428	2.338	40	30		EEEBMO
N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H]2CC(=O)N3Cc2ccncc2)c1	ZINC000096184069	463195892	/nfs/dbraw/zinc/19/58/92/463195892.db2.gz	LZXCPIVRNREPGK-MOPGFXCFSA-N	1	1	332.407	2.329	40	30		EEEBMO
N#Cc1nn(-c2ccccc2)nc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000256048137	463755157	/nfs/dbraw/zinc/75/51/57/463755157.db2.gz	QYQGAHOLYQCVQV-UHFFFAOYSA-N	1	1	344.422	2.461	40	30		EEEBMO
N#Cc1ccc([C@@H](O)C[N@H+]2CCCN(c3cncc(F)c3)CC2)cc1	ZINC000241170981	464450357	/nfs/dbraw/zinc/45/03/57/464450357.db2.gz	KDGOVHZNUHPEQH-IBGZPJMESA-N	1	1	340.402	2.338	40	30		EEEBMO
N#CC1(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCCC1	ZINC000097373197	534544121	/nfs/dbraw/zinc/54/41/21/534544121.db2.gz	WIUVCUCBKQSREO-SFHVURJKSA-N	1	1	341.455	2.343	40	30		EEEBMO
C=CCn1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)c1C	ZINC000012116992	211295270	/nfs/dbraw/zinc/29/52/70/211295270.db2.gz	RTQCYFGSAGERHM-JJTKIYQPSA-N	1	1	341.459	2.126	40	30		EEEBMO
C[NH+]1CCN(CN2c3ccccc3/C(=N\c3ccccc3)C2=O)CC1	ZINC000408718076	257891219	/nfs/dbraw/zinc/89/12/19/257891219.db2.gz	HLSMNYRLPNOMAU-XUTLUUPISA-N	1	1	334.423	2.359	40	30		EEEBMO
N#Cc1cc(N)ccc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000020135200	463024494	/nfs/dbraw/zinc/02/44/94/463024494.db2.gz	DDOAZBVHELHJNL-UHFFFAOYSA-N	1	1	336.395	2.191	40	30		EEEBMO
C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000096428224	463257761	/nfs/dbraw/zinc/25/77/61/463257761.db2.gz	OOVKCGHONIAULK-FZMZJTMJSA-N	1	1	341.864	2.172	40	30		EEEBMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000096428223	463258300	/nfs/dbraw/zinc/25/83/00/463258300.db2.gz	OOVKCGHONIAULK-RISCZKNCSA-N	1	1	341.864	2.172	40	30		EEEBMO
N#CC1(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCCC1	ZINC000097373195	463355726	/nfs/dbraw/zinc/35/57/26/463355726.db2.gz	WIUVCUCBKQSREO-GOSISDBHSA-N	1	1	341.455	2.343	40	30		EEEBMO
C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000245338794	243104266	/nfs/dbraw/zinc/10/42/66/243104266.db2.gz	OOVKCGHONIAULK-BXUZGUMPSA-N	1	1	341.864	2.172	40	30		EEEBMO
C=CC[N@H+]1CCO[C@@H]2CN(C(=O)NCc3cccc(F)c3)CC[C@@H]2C1	ZINC000096249636	463226454	/nfs/dbraw/zinc/22/64/54/463226454.db2.gz	AMNABKLFVOVKAI-SJLPKXTDSA-N	1	1	347.434	2.244	40	30		EEEBMO
C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1	ZINC000187714950	464154316	/nfs/dbraw/zinc/15/43/16/464154316.db2.gz	JWBZWGZLLDIQQK-PBHICJAKSA-N	1	1	333.457	2.119	40	30		EEEBMO
C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1	ZINC000187714950	464154322	/nfs/dbraw/zinc/15/43/22/464154322.db2.gz	JWBZWGZLLDIQQK-PBHICJAKSA-N	1	1	333.457	2.119	40	30		EEEBMO
CCN1CC[NH+]([C@H]2CCN(Cc3ccc(Cl)cc3C#N)C2)CC1	ZINC000187002134	529152784	/nfs/dbraw/zinc/15/27/84/529152784.db2.gz	PLHPERYANFYORW-SFHVURJKSA-N	1	1	332.879	2.423	40	30		EEEBMO
C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(C#N)c1)c1cccc(F)c1	ZINC000047032803	462737455	/nfs/dbraw/zinc/73/74/55/462737455.db2.gz	ZMELAYWEPAUNNB-QGZVFWFLSA-N	1	1	347.415	2.279	40	30		EEEBMO
C[C@H]1CCN(S(=O)(=O)CCCC#N)CC[N@H+]1Cc1ccccc1	ZINC000096433538	463262520	/nfs/dbraw/zinc/26/25/20/463262520.db2.gz	JKLVHXHRKXQDHY-INIZCTEOSA-N	1	1	335.473	2.216	40	30		EEEBMO
Cc1c([N+](=O)[O-])cc(C#N)cc1N1CCC[C@H]1C[NH+]1CCOCC1	ZINC000195570807	464078547	/nfs/dbraw/zinc/07/85/47/464078547.db2.gz	RFYJWFIIHWNLRJ-HNNXBMFYSA-N	1	1	330.388	2.076	40	30		EEEBMO
CCOC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)c3cccc(C#N)c3)C2)C1	ZINC000306127295	466490046	/nfs/dbraw/zinc/49/00/46/466490046.db2.gz	FUOFAGWYWJSUCP-MRXNPFEDSA-N	1	1	327.428	2.131	40	30		EEEBMO
C=CC[N@@H+]1CCCC[C@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@H]21	ZINC000072330679	216154975	/nfs/dbraw/zinc/15/49/75/216154975.db2.gz	SUBLFQQMCMYCBY-WMLDXEAASA-N	1	1	338.448	2.487	40	30		EEEBMO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1COc1ccccc1)C1CC1	ZINC000079090829	463188796	/nfs/dbraw/zinc/18/87/96/463188796.db2.gz	JQZHPILZXPSPNG-APWZRJJASA-N	1	1	327.428	2.338	40	30		EEEBMO
C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1COc1ccccc1)C1CC1	ZINC000079090829	463188801	/nfs/dbraw/zinc/18/88/01/463188801.db2.gz	JQZHPILZXPSPNG-APWZRJJASA-N	1	1	327.428	2.338	40	30		EEEBMO
CC[C@H]1CN(C(=O)C2(C#N)CCOCC2)CC[N@@H+]1Cc1ccccc1	ZINC000185332992	463803559	/nfs/dbraw/zinc/80/35/59/463803559.db2.gz	RASZQPOHEIWQBN-SFHVURJKSA-N	1	1	341.455	2.430	40	30		EEEBMO
CC[C@H]1CN(C(=O)C2(C#N)CCOCC2)CC[N@H+]1Cc1ccccc1	ZINC000185332992	463803567	/nfs/dbraw/zinc/80/35/67/463803567.db2.gz	RASZQPOHEIWQBN-SFHVURJKSA-N	1	1	341.455	2.430	40	30		EEEBMO
CC[C@@]1(C)C[C@@]2(CCC[N@@H+](CC#CCN3CCOCC3)C2)CCO1	ZINC000004764459	210273545	/nfs/dbraw/zinc/27/35/45/210273545.db2.gz	QCWLWXCLQMWJSW-VQTJNVASSA-N	1	1	334.504	2.383	40	30		EEEBMO
C=CCOC[C@H]1CNC(=O)[C@@H]2CC[N@@H+](Cc3c(C)noc3C)CC[C@H]12	ZINC000107714978	463579749	/nfs/dbraw/zinc/57/97/49/463579749.db2.gz	RFLDISOPNYYISM-BRWVUGGUSA-N	1	1	347.459	2.068	40	30		EEEBMO
Cn1ccnc1C[N@@H+]1CC[C@]2(C[C@H](Nc3cccc(C#N)c3)CO2)C1	ZINC000096218876	463216870	/nfs/dbraw/zinc/21/68/70/463216870.db2.gz	FZUFKLLDPCIILT-HKUYNNGSSA-N	1	1	337.427	2.137	40	30		EEEBMO
Cn1ccnc1C[N@H+]1CC[C@]2(C[C@H](Nc3cccc(C#N)c3)CO2)C1	ZINC000096218876	463216873	/nfs/dbraw/zinc/21/68/73/463216873.db2.gz	FZUFKLLDPCIILT-HKUYNNGSSA-N	1	1	337.427	2.137	40	30		EEEBMO
N#Cc1c(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)nc2ccccn12	ZINC000097238130	219002883	/nfs/dbraw/zinc/00/28/83/219002883.db2.gz	ZEIXWWBDYJLZHV-QGZVFWFLSA-N	1	1	347.422	2.037	40	30		EEEBMO
C[C@@H](C1CC1)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000091534366	462886362	/nfs/dbraw/zinc/88/63/62/462886362.db2.gz	KBGXCZZEGKPGQH-LPHOPBHVSA-N	1	1	340.471	2.126	40	30		EEEBMO
C=CCOC[C@@H]1CN(C)C(=O)[C@@H]2CC[N@H+](Cc3cc(C)on3)CC[C@@H]21	ZINC000096066443	463165022	/nfs/dbraw/zinc/16/50/22/463165022.db2.gz	OQKUHXWZCSENML-CGTJXYLNSA-N	1	1	347.459	2.102	40	30		EEEBMO
N#Cc1cccc(OC[C@H]2CO[C@@H]3C[N@H+](C4CCOCC4)C[C@H]23)c1	ZINC000096219586	463216483	/nfs/dbraw/zinc/21/64/83/463216483.db2.gz	VFWRQANCKRDCTE-KFKAGJAMSA-N	1	1	328.412	2.063	40	30		EEEBMO
Cc1c(C#N)cccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C	ZINC000186718527	464057043	/nfs/dbraw/zinc/05/70/43/464057043.db2.gz	JMMIUKUHZUVNET-CYBMUJFWSA-N	1	1	330.432	2.176	40	30		EEEBMO
Cn1cc(C[N@H+]2CC[C@]3(C[C@H](Nc4cccc(C#N)c4)CO3)C2)cn1	ZINC000096218871	463216137	/nfs/dbraw/zinc/21/61/37/463216137.db2.gz	DYIABHPWKCEFNE-OALUTQOASA-N	1	1	337.427	2.137	40	30		EEEBMO
Cn1cc(C(=O)NC2CC3(C2)CC[N@@H+](Cc2cccc(C#N)c2)C3)cn1	ZINC000108528168	463609960	/nfs/dbraw/zinc/60/99/60/463609960.db2.gz	FHWFLSFHYLDITF-UHFFFAOYSA-N	1	1	349.438	2.076	40	30		EEEBMO
C[C@H](O)[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000096497124	463290452	/nfs/dbraw/zinc/29/04/52/463290452.db2.gz	DJESYXFDJSHQIA-YXJHDRRASA-N	1	1	327.428	2.146	40	30		EEEBMO
N#Cc1cccc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2)n1	ZINC000096047682	463152244	/nfs/dbraw/zinc/15/22/44/463152244.db2.gz	HCNZCQCOJCSWJV-MJGOQNOKSA-N	1	1	335.411	2.194	40	30		EEEBMO
COc1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccc(C#N)c2)ncn1	ZINC000096184777	463195242	/nfs/dbraw/zinc/19/52/42/463195242.db2.gz	IPAXUHLJLROGBL-SJORKVTESA-N	1	1	335.411	2.210	40	30		EEEBMO
Cn1cc(-c2ncnc3c2CC[N@@H+](Cc2cccc(C#N)c2)CC3)cn1	ZINC000096255196	463228637	/nfs/dbraw/zinc/22/86/37/463228637.db2.gz	SMKWZEJWSGSYTP-UHFFFAOYSA-N	1	1	344.422	2.350	40	30		EEEBMO
Cc1ccc2c(c1)[C@@]1(C)C=C(CN3CC[NH+](C)CC3)C(=O)C[C@H]1O2	ZINC000019364746	292356003	/nfs/dbraw/zinc/35/60/03/292356003.db2.gz	ZULLLCBLCVVHKZ-WOJBJXKFSA-N	1	1	326.440	2.160	40	30		EEEBMO
Cc1cccc(NC2CCN(S(=O)(=O)CCCCC#N)CC2)[nH+]1	ZINC000096421253	463252913	/nfs/dbraw/zinc/25/29/13/463252913.db2.gz	WQKSTBUZUKLNHZ-UHFFFAOYSA-N	1	1	336.461	2.290	40	30		EEEBMO
C[C@@H]1C[C@@H](OC[C@H](S)C[NH+]2CCN(CO)CC2)CC(C)(C)C1	ZINC000022872268	525284661	/nfs/dbraw/zinc/28/46/61/525284661.db2.gz	ICRJMXAQCCNBSP-BZUAXINKSA-N	1	1	330.538	2.084	40	30		EEEBMO
C[N@@H+]1CCc2c(C#N)c(NC(=O)CSc3ncccn3)sc2C1	ZINC000408581158	257895746	/nfs/dbraw/zinc/89/57/46/257895746.db2.gz	GWGPRANXBWAPPJ-UHFFFAOYSA-N	1	1	345.453	2.128	40	30		EEEBMO
C[N@H+]1CCc2c(C#N)c(NC(=O)CSc3ncccn3)sc2C1	ZINC000408581158	257895747	/nfs/dbraw/zinc/89/57/47/257895747.db2.gz	GWGPRANXBWAPPJ-UHFFFAOYSA-N	1	1	345.453	2.128	40	30		EEEBMO
COCCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000108535224	463611658	/nfs/dbraw/zinc/61/16/58/463611658.db2.gz	IUWPGANWXVTIHL-FQEVSTJZSA-N	1	1	341.455	2.409	40	30		EEEBMO
C[N@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccccc1	ZINC000249027061	464830165	/nfs/dbraw/zinc/83/01/65/464830165.db2.gz	LCHUWWUVQXOPHC-DOTOQJQBSA-N	1	1	338.415	2.364	40	30		EEEBMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C	ZINC000253421233	465009148	/nfs/dbraw/zinc/00/91/48/465009148.db2.gz	SJMFPCANFRRJKB-JCHJZTRSSA-N	1	1	343.471	2.389	40	30		EEEBMO
CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000078078756	202395362	/nfs/dbraw/zinc/39/53/62/202395362.db2.gz	LSSAMRCIYKCHHY-FQEVSTJZSA-N	1	1	349.434	2.418	40	30		EEEBMO
CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000078078756	202395366	/nfs/dbraw/zinc/39/53/66/202395366.db2.gz	LSSAMRCIYKCHHY-FQEVSTJZSA-N	1	1	349.434	2.418	40	30		EEEBMO
N#Cc1ccc([C@H](O)C[N@H+]2CCCN(c3cncc(F)c3)CC2)cc1	ZINC000241170982	464450156	/nfs/dbraw/zinc/45/01/56/464450156.db2.gz	KDGOVHZNUHPEQH-LJQANCHMSA-N	1	1	340.402	2.338	40	30		EEEBMO
C[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3cccc(C#N)c3)CC[C@@H]21	ZINC000107769811	204246704	/nfs/dbraw/zinc/24/67/04/204246704.db2.gz	KRXAPZHBFLJRQU-AABGKKOBSA-N	1	1	335.455	2.350	40	30		EEEBMO
N#Cc1cccc(OC[C@H]2CO[C@@H]3C[N@@H+](Cc4ccncc4)C[C@H]23)c1	ZINC000096219320	463216965	/nfs/dbraw/zinc/21/69/65/463216965.db2.gz	PCDGNNJTLFEATB-DFQSSKMNSA-N	1	1	335.407	2.479	40	30		EEEBMO
Cc1ncc(C[N@H+]2CC[C@H](Nc3nccnc3C#N)[C@H](C)C2)s1	ZINC000096419452	463250763	/nfs/dbraw/zinc/25/07/63/463250763.db2.gz	BOWLQIKOJRTRTF-RISCZKNCSA-N	1	1	328.445	2.436	40	30		EEEBMO
CC#CCNC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000189938273	464566233	/nfs/dbraw/zinc/56/62/33/464566233.db2.gz	GDGQBMSGWLVJKP-UHFFFAOYSA-N	1	1	340.427	2.118	40	30		EEEBMO
C[N@H+]1C[C@H]2[C@H](C3=C(CC(C)(C)CC3=O)N2Cc2ccccc2)[C@@H](O)C1	ZINC000004273416	210158440	/nfs/dbraw/zinc/15/84/40/210158440.db2.gz	KOHMZZHVNVAGOM-QRFRQXIXSA-N	1	1	340.467	2.437	40	30		EEEBMO
N#Cc1cnc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(Cl)c1	ZINC000079353706	283235631	/nfs/dbraw/zinc/23/56/31/283235631.db2.gz	VGOIVPRRUDGLOY-MRXNPFEDSA-N	1	1	342.830	2.438	40	30		EEEBMO
C=CC[N@@H+]1CCOCC2(CC(Cc3nc(N(C)C)ncc3F)C2)C1	ZINC000257270337	201192002	/nfs/dbraw/zinc/19/20/02/201192002.db2.gz	MTUIWZMZNWADSX-UHFFFAOYSA-N	1	1	334.439	2.139	40	30		EEEBMO
Cc1nc[nH]c1C[N@H+]1C[C@H]2OC[C@H](COc3cccc(C#N)c3)[C@H]2C1	ZINC000096215929	463213444	/nfs/dbraw/zinc/21/34/44/463213444.db2.gz	FCSBVNJJKBUQER-KVSKMBFKSA-N	1	1	338.411	2.116	40	30		EEEBMO
N#Cc1cccc(CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1	ZINC000096418694	463250884	/nfs/dbraw/zinc/25/08/84/463250884.db2.gz	CHZJIYYOVWEHAT-FQEVSTJZSA-N	1	1	349.434	2.466	40	30		EEEBMO
N#Cc1cccc(CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1	ZINC000096418694	463250889	/nfs/dbraw/zinc/25/08/89/463250889.db2.gz	CHZJIYYOVWEHAT-FQEVSTJZSA-N	1	1	349.434	2.466	40	30		EEEBMO
C#CCOc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(nc(C)[nH]c2=O)C3)c1	ZINC000019286374	212010652	/nfs/dbraw/zinc/01/06/52/212010652.db2.gz	MACAEQPCSDDUPT-DLBZAZTESA-N	1	1	349.434	2.222	40	30		EEEBMO
C=CCO[C@H]1CC[N@H+](Cc2cccnc2OC)[C@H]1Cc1cnn(C)c1	ZINC000096200673	463206134	/nfs/dbraw/zinc/20/61/34/463206134.db2.gz	TUOOUDGDLZOOOF-ROUUACIJSA-N	1	1	342.443	2.212	40	30		EEEBMO
C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CCC1	ZINC000096493077	463287866	/nfs/dbraw/zinc/28/78/66/463287866.db2.gz	GLECPDHTIFRWSQ-GOSISDBHSA-N	1	1	344.434	2.019	40	30		EEEBMO
C#CCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[nH]c(=O)c2C3)c1	ZINC000019286371	212010093	/nfs/dbraw/zinc/01/00/93/212010093.db2.gz	MACAEQPCSDDUPT-SJORKVTESA-N	1	1	349.434	2.222	40	30		EEEBMO
CC[C@]1(C)C[C@]2(CCC[N@@H+](CC#CCN3CCOCC3)C2)CCO1	ZINC000004764464	210273995	/nfs/dbraw/zinc/27/39/95/210273995.db2.gz	QCWLWXCLQMWJSW-UXHICEINSA-N	1	1	334.504	2.383	40	30		EEEBMO
C[N@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1ccccc1	ZINC000189660925	290140871	/nfs/dbraw/zinc/14/08/71/290140871.db2.gz	LCHUWWUVQXOPHC-WBVHZDCISA-N	1	1	338.415	2.364	40	30		EEEBMO
N#Cc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCC(=O)N3c2ccccc2)c1	ZINC000067897045	463065050	/nfs/dbraw/zinc/06/50/50/463065050.db2.gz	STXKMDYQBAQXPG-MOPGFXCFSA-N	1	1	333.391	2.174	40	30	biogenic,in-vitro	EEEBMO
N#Cc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)OCC(=O)N3c2ccccc2)c1	ZINC000067897045	463065058	/nfs/dbraw/zinc/06/50/58/463065058.db2.gz	STXKMDYQBAQXPG-MOPGFXCFSA-N	1	1	333.391	2.174	40	30	biogenic,in-vitro	EEEBMO
N#Cc1ccc(N2CC[NH+](CCOC[C@@H]3CCCO3)CC2)c(F)c1	ZINC000096421102	463252864	/nfs/dbraw/zinc/25/28/64/463252864.db2.gz	KWEOPOQWGJVEMW-INIZCTEOSA-N	1	1	333.407	2.015	40	30		EEEBMO
N#Cc1cccc(CN2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1	ZINC000096183394	463196072	/nfs/dbraw/zinc/19/60/72/463196072.db2.gz	KQMSRISUQMWCSK-LEWJYISDSA-N	1	1	348.450	2.429	40	30		EEEBMO
N#Cc1ccc(C(=O)N2CCn3cc(C[NH+]4CCCCC4)nc3C2)cc1	ZINC000096197272	463202989	/nfs/dbraw/zinc/20/29/89/463202989.db2.gz	XQAIJUAHIKEVKH-UHFFFAOYSA-N	1	1	349.438	2.397	40	30		EEEBMO
N#Cc1cccc(OC[C@H]2CO[C@@H]3C[N@@H+](Cc4cccnc4)C[C@H]23)c1	ZINC000096219294	463216896	/nfs/dbraw/zinc/21/68/96/463216896.db2.gz	SHYVADXBKNHCOK-DFQSSKMNSA-N	1	1	335.407	2.479	40	30		EEEBMO
C[N@@H+](CCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C1CCCC1	ZINC000096410766	463243799	/nfs/dbraw/zinc/24/37/99/463243799.db2.gz	KYKHSUZKMKSUOB-UHFFFAOYSA-N	1	1	348.834	2.141	40	30		EEEBMO
N#Cc1cccc(CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1	ZINC000096418693	463250804	/nfs/dbraw/zinc/25/08/04/463250804.db2.gz	CHZJIYYOVWEHAT-HXUWFJFHSA-N	1	1	349.434	2.466	40	30		EEEBMO
N#Cc1cccc(CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1	ZINC000096418693	463250809	/nfs/dbraw/zinc/25/08/09/463250809.db2.gz	CHZJIYYOVWEHAT-HXUWFJFHSA-N	1	1	349.434	2.466	40	30		EEEBMO
N#Cc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1	ZINC000096500977	463292042	/nfs/dbraw/zinc/29/20/42/463292042.db2.gz	PYJXEHDUOROMQH-FQEVSTJZSA-N	1	1	349.434	2.445	40	30		EEEBMO
C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCO3)CC[C@@]2(c2ccccc2)C1	ZINC000248170350	464736987	/nfs/dbraw/zinc/73/69/87/464736987.db2.gz	RPRCGOWIULOATA-ZVDOUQERSA-N	1	1	340.467	2.454	40	30		EEEBMO
CCn1cc(C[N@H+]2CCCN(c3nc4ccccn4c3C#N)CC2)cn1	ZINC000253427657	465011379	/nfs/dbraw/zinc/01/13/79/465011379.db2.gz	XQKHKYNYZVVDFP-UHFFFAOYSA-N	1	1	349.442	2.135	40	30		EEEBMO
C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCO3)CC[C@]2(c2ccccc2)C1	ZINC000096083267	463170480	/nfs/dbraw/zinc/17/04/80/463170480.db2.gz	RPRCGOWIULOATA-SFHLNBCPSA-N	1	1	340.467	2.454	40	30		EEEBMO
C[C@@H](CO)[N@H+]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000241439854	464452227	/nfs/dbraw/zinc/45/22/27/464452227.db2.gz	NMUJBVAZRYVNJM-LBPRGKRZSA-N	1	1	327.350	2.470	40	30		EEEBMO
C=CC[NH+]1CCN([C@H](CC)c2nnnn2Cc2cccs2)CC1	ZINC000020141779	518867062	/nfs/dbraw/zinc/86/70/62/518867062.db2.gz	IKPGNGYMFXXXOA-OAHLLOKOSA-N	1	1	332.477	2.038	40	30		EEEBMO
C[C@@H]1C[N@@H+]([C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)CCN1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2	ZINC000100986993	534479045	/nfs/dbraw/zinc/47/90/45/534479045.db2.gz	NVGJHFALHAUOTL-KZKXBTMNSA-N	1	1	346.475	2.250	40	30		EEEBMO
C[C@@H]1C[N@H+]([C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)CCN1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2	ZINC000100986993	534479056	/nfs/dbraw/zinc/47/90/56/534479056.db2.gz	NVGJHFALHAUOTL-KZKXBTMNSA-N	1	1	346.475	2.250	40	30		EEEBMO
C[C@@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC000085468139	462549003	/nfs/dbraw/zinc/54/90/03/462549003.db2.gz	DQFAYTKSXNXKAG-MRXNPFEDSA-N	1	1	340.471	2.046	40	30		EEEBMO
CC(C)(C)NC(=O)CN1CCC(C[NH2+]Cc2cc(C#N)cs2)CC1	ZINC000080373686	217300460	/nfs/dbraw/zinc/30/04/60/217300460.db2.gz	FUYSLDKXYGXITD-UHFFFAOYSA-N	1	1	348.516	2.336	40	30		EEEBMO
N#Cc1cccc(N[C@@H]2CO[C@@]3(CC[N@@H+](CC4CCOCC4)C3)C2)n1	ZINC000096047703	463152297	/nfs/dbraw/zinc/15/22/97/463152297.db2.gz	BQLAIDRJUWJSRV-HKUYNNGSSA-N	1	1	342.443	2.025	40	30		EEEBMO
C[NH+]1CCN(C(=O)Cc2ccc(Nc3ncccc3C#N)cc2)CC1	ZINC000096452861	463273230	/nfs/dbraw/zinc/27/32/30/463273230.db2.gz	UWRQIAGGTOMNMX-UHFFFAOYSA-N	1	1	335.411	2.013	40	30		EEEBMO
Cc1ccc2c(c1)[C@]1(C)C=C(CN3CC[NH+](C)CC3)C(=O)C[C@H]1O2	ZINC000019364743	463017530	/nfs/dbraw/zinc/01/75/30/463017530.db2.gz	ZULLLCBLCVVHKZ-UXHICEINSA-N	1	1	326.440	2.160	40	30		EEEBMO
C=CC[N@H+]1CCO[C@@H]2CN(C(=O)CCc3ccccc3)CC[C@@H]2C1	ZINC000096249646	463227311	/nfs/dbraw/zinc/22/73/11/463227311.db2.gz	ZIQPWIXMZWXLRB-RTBURBONSA-N	1	1	328.456	2.355	40	30		EEEBMO
C[N@H+]1C[C@@H]2[C@@H](C3=C(CC(C)(C)CC3=O)N2Cc2ccccc2)[C@@H](O)C1	ZINC000004273417	210157837	/nfs/dbraw/zinc/15/78/37/210157837.db2.gz	KOHMZZHVNVAGOM-IMFGXOCKSA-N	1	1	340.467	2.437	40	30		EEEBMO
CCNC(NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)=[NH+]CC	ZINC000066243295	257849521	/nfs/dbraw/zinc/84/95/21/257849521.db2.gz	HKTFKFQPYXEVOP-IYBDPMFKSA-N	1	1	332.492	2.371	40	30		EEEBMO
Cc1nc(C(=O)NCC#CC[N@@H+]2CCc3ccccc3C2)cs1	ZINC000075164977	462689583	/nfs/dbraw/zinc/68/95/83/462689583.db2.gz	RKCSWZQTTJFAKK-UHFFFAOYSA-N	1	1	325.437	2.243	40	30		EEEBMO
Cc1nc(C(=O)NCC#CC[N@H+]2CCc3ccccc3C2)cs1	ZINC000075164977	462689588	/nfs/dbraw/zinc/68/95/88/462689588.db2.gz	RKCSWZQTTJFAKK-UHFFFAOYSA-N	1	1	325.437	2.243	40	30		EEEBMO
N#Cc1cccc(N[C@@H]2CO[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1	ZINC000096047678	463151400	/nfs/dbraw/zinc/15/14/00/463151400.db2.gz	QSNYGAQTCLOBFJ-HKUYNNGSSA-N	1	1	335.411	2.194	40	30		EEEBMO
Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccc(C#N)c2)cn1	ZINC000096186485	463198728	/nfs/dbraw/zinc/19/87/28/463198728.db2.gz	APCRCLYBBAIEJT-QZTJIDSGSA-N	1	1	335.411	2.062	40	30		EEEBMO
C[C@H](C1CC1)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000096492669	463288091	/nfs/dbraw/zinc/28/80/91/463288091.db2.gz	BPPUYJRWLAJTKN-ZBFHGGJFSA-N	1	1	346.500	2.187	40	30		EEEBMO
N#Cc1c(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)nc2ccccn12	ZINC000097238131	219003602	/nfs/dbraw/zinc/00/36/02/219003602.db2.gz	ZEIXWWBDYJLZHV-KRWDZBQOSA-N	1	1	347.422	2.037	40	30		EEEBMO
C[C@H](O)[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000096497126	463289943	/nfs/dbraw/zinc/28/99/43/463289943.db2.gz	DJESYXFDJSHQIA-QILLFSRXSA-N	1	1	327.428	2.146	40	30		EEEBMO
CC#CC[N@H+](Cc1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O	ZINC000257317837	463774518	/nfs/dbraw/zinc/77/45/18/463774518.db2.gz	VLJKRBZWCTZSTO-QZTJIDSGSA-N	1	1	344.455	2.492	40	30		EEEBMO
CC#CC[N@@H+](Cc1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O	ZINC000257317837	463774523	/nfs/dbraw/zinc/77/45/23/463774523.db2.gz	VLJKRBZWCTZSTO-QZTJIDSGSA-N	1	1	344.455	2.492	40	30		EEEBMO
Cn1cc[nH+]c1N1CCC(Nc2cc(C#N)ccc2[N+](=O)[O-])CC1	ZINC000253433114	465015376	/nfs/dbraw/zinc/01/53/76/465015376.db2.gz	SAIGEMGEMKLUFY-UHFFFAOYSA-N	1	1	326.360	2.281	40	30		EEEBMO
N#Cc1cccc(C[N@@H+]2CCC3(CC(NC(=O)c4cnccn4)C3)C2)c1	ZINC000108528733	463610417	/nfs/dbraw/zinc/61/04/17/463610417.db2.gz	SJSQJOKOIUEETR-UHFFFAOYSA-N	1	1	347.422	2.133	40	30		EEEBMO
N#Cc1cccc(C[N@H+]2C[C@H](OCC3CCOCC3)[C@H]3COC[C@H]32)c1	ZINC000096185045	463196200	/nfs/dbraw/zinc/19/62/00/463196200.db2.gz	CDMJYJZSAHFMEJ-ZCNNSNEGSA-N	1	1	342.439	2.201	40	30		EEEBMO
Cc1nc[nH]c1C[N@H+]1C[C@H]2OC[C@@H](COc3cccc(C#N)c3)[C@H]2C1	ZINC000096217193	463215646	/nfs/dbraw/zinc/21/56/46/463215646.db2.gz	FCSBVNJJKBUQER-SZVBFZGTSA-N	1	1	338.411	2.116	40	30		EEEBMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1(C#N)CCC1	ZINC000096422416	463254215	/nfs/dbraw/zinc/25/42/15/463254215.db2.gz	WSCDMOVDBBGXQN-MRXNPFEDSA-N	1	1	326.444	2.007	40	30		EEEBMO
N#Cc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1	ZINC000096500976	463291790	/nfs/dbraw/zinc/29/17/90/463291790.db2.gz	PYJXEHDUOROMQH-HXUWFJFHSA-N	1	1	349.434	2.445	40	30		EEEBMO
CC[C@@H]1CN(C(=O)C2(C#N)CCOCC2)CC[N@@H+]1Cc1ccccc1	ZINC000185332975	463803605	/nfs/dbraw/zinc/80/36/05/463803605.db2.gz	RASZQPOHEIWQBN-GOSISDBHSA-N	1	1	341.455	2.430	40	30		EEEBMO
CC[C@@H]1CN(C(=O)C2(C#N)CCOCC2)CC[N@H+]1Cc1ccccc1	ZINC000185332975	463803609	/nfs/dbraw/zinc/80/36/09/463803609.db2.gz	RASZQPOHEIWQBN-GOSISDBHSA-N	1	1	341.455	2.430	40	30		EEEBMO
N#Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2ccccn2)c1	ZINC000096184726	463195860	/nfs/dbraw/zinc/19/58/60/463195860.db2.gz	CFANWKBFSJTSRL-RBUKOAKNSA-N	1	1	332.407	2.442	40	30		EEEBMO
N#Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CC[N@H+]3CC2CCOCC2)c1	ZINC000096184462	463196363	/nfs/dbraw/zinc/19/63/63/463196363.db2.gz	JBOOSJFMSXVGNZ-RBUKOAKNSA-N	1	1	339.439	2.274	40	30		EEEBMO
C=CCOC[C@H]1Cn2nccc2C[N@H+](Cc2ccc3c(c2)OCO3)C1	ZINC000096189017	463200606	/nfs/dbraw/zinc/20/06/06/463200606.db2.gz	OJKBNTSRWRGCJM-MRXNPFEDSA-N	1	1	341.411	2.446	40	30		EEEBMO
C=CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc3c(c2)OCO3)C1	ZINC000096189017	463200607	/nfs/dbraw/zinc/20/06/07/463200607.db2.gz	OJKBNTSRWRGCJM-MRXNPFEDSA-N	1	1	341.411	2.446	40	30		EEEBMO
N#Cc1cc(CN2CC[C@@H]3OCC[N@@H+](CC4CC4)[C@H]3C2)ccc1F	ZINC000108531427	463610194	/nfs/dbraw/zinc/61/01/94/463610194.db2.gz	VFCQXUKDZDLOQX-OALUTQOASA-N	1	1	329.419	2.382	40	30		EEEBMO
N#Cc1cc(CN2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)ccc1F	ZINC000108531427	463610198	/nfs/dbraw/zinc/61/01/98/463610198.db2.gz	VFCQXUKDZDLOQX-OALUTQOASA-N	1	1	329.419	2.382	40	30		EEEBMO
N#Cc1cc(C[N@@H+]2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)ccc1F	ZINC000108531427	463610203	/nfs/dbraw/zinc/61/02/03/463610203.db2.gz	VFCQXUKDZDLOQX-OALUTQOASA-N	1	1	329.419	2.382	40	30		EEEBMO
N#Cc1cc(C[N@H+]2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)ccc1F	ZINC000108531427	463610207	/nfs/dbraw/zinc/61/02/07/463610207.db2.gz	VFCQXUKDZDLOQX-OALUTQOASA-N	1	1	329.419	2.382	40	30		EEEBMO
CC(C)CNC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cccc(C#N)c3)C2)C1	ZINC000096225449	463220485	/nfs/dbraw/zinc/22/04/85/463220485.db2.gz	CEVRWONLRIZZHI-IBGZPJMESA-N	1	1	340.427	2.051	40	30		EEEBMO
CC(C)CNC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cccc(C#N)c3)C2)C1	ZINC000096225449	463220491	/nfs/dbraw/zinc/22/04/91/463220491.db2.gz	CEVRWONLRIZZHI-IBGZPJMESA-N	1	1	340.427	2.051	40	30		EEEBMO
C#CC1(OC[C@@H](O)C[N@H+](CCO)Cc2ccccc2)CCCCC1	ZINC000096305975	463234415	/nfs/dbraw/zinc/23/44/15/463234415.db2.gz	VCYFDUOGLKXOSA-IBGZPJMESA-N	1	1	331.456	2.195	40	30		EEEBMO
C[C@@H](C1CC1)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000245287235	464469945	/nfs/dbraw/zinc/46/99/45/464469945.db2.gz	BPPUYJRWLAJTKN-GOEBONIOSA-N	1	1	346.500	2.187	40	30		EEEBMO
C=CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc3c(c2)OCO3)C1	ZINC000096189016	463200384	/nfs/dbraw/zinc/20/03/84/463200384.db2.gz	OJKBNTSRWRGCJM-INIZCTEOSA-N	1	1	341.411	2.446	40	30		EEEBMO
C=CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc3c(c2)OCO3)C1	ZINC000096189016	463200387	/nfs/dbraw/zinc/20/03/87/463200387.db2.gz	OJKBNTSRWRGCJM-INIZCTEOSA-N	1	1	341.411	2.446	40	30		EEEBMO
CC(C)Nc1nc(N(C)C)c2c([nH+]1)CCN(c1ccc(C#N)cn1)C2	ZINC000096254056	463228622	/nfs/dbraw/zinc/22/86/22/463228622.db2.gz	GXCMJOQGSMBNOE-UHFFFAOYSA-N	1	1	337.431	2.192	40	30		EEEBMO
N#Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1	ZINC000306130711	466488927	/nfs/dbraw/zinc/48/89/27/466488927.db2.gz	JNMYPJJPKDCQSW-RBUKOAKNSA-N	1	1	332.407	2.442	40	30		EEEBMO
CCNC(NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)=[NH+]CC	ZINC000066243297	462866356	/nfs/dbraw/zinc/86/63/56/462866356.db2.gz	HKTFKFQPYXEVOP-HOTGVXAUSA-N	1	1	332.492	2.371	40	30		EEEBMO
N#Cc1cc(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)ccc1F	ZINC000096434618	463262078	/nfs/dbraw/zinc/26/20/78/463262078.db2.gz	XZPTYCHXTHCXLZ-HNNXBMFYSA-N	1	1	334.395	2.056	40	30		EEEBMO
Cn1ccnc1C[N@@H+]1CC[C@@]2(C[C@@H](Nc3cccc(C#N)c3)CO2)C1	ZINC000107225972	463562922	/nfs/dbraw/zinc/56/29/22/463562922.db2.gz	FZUFKLLDPCIILT-IEBWSBKVSA-N	1	1	337.427	2.137	40	30		EEEBMO
Cn1ccnc1C[N@H+]1CC[C@@]2(C[C@@H](Nc3cccc(C#N)c3)CO2)C1	ZINC000107225972	463562924	/nfs/dbraw/zinc/56/29/24/463562924.db2.gz	FZUFKLLDPCIILT-IEBWSBKVSA-N	1	1	337.427	2.137	40	30		EEEBMO
C=CC[NH+]1CCN([C@@H](CC)c2nnnn2Cc2cccs2)CC1	ZINC000020141782	518868620	/nfs/dbraw/zinc/86/86/20/518868620.db2.gz	IKPGNGYMFXXXOA-HNNXBMFYSA-N	1	1	332.477	2.038	40	30		EEEBMO
C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1	ZINC000187714932	464154970	/nfs/dbraw/zinc/15/49/70/464154970.db2.gz	JWBZWGZLLDIQQK-YOEHRIQHSA-N	1	1	333.457	2.119	40	30		EEEBMO
C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1	ZINC000187714932	464154975	/nfs/dbraw/zinc/15/49/75/464154975.db2.gz	JWBZWGZLLDIQQK-YOEHRIQHSA-N	1	1	333.457	2.119	40	30		EEEBMO
N#Cc1cccc(N[C@H]2CO[C@]3(CC[N@H+](Cc4nccs4)C3)C2)n1	ZINC000096047666	463152176	/nfs/dbraw/zinc/15/21/76/463152176.db2.gz	PYNPSNMPNJYAJW-RHSMWYFYSA-N	1	1	341.440	2.255	40	30		EEEBMO
N#Cc1cccc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4nccs4)C3)C2)n1	ZINC000096047666	463152178	/nfs/dbraw/zinc/15/21/78/463152178.db2.gz	PYNPSNMPNJYAJW-RHSMWYFYSA-N	1	1	341.440	2.255	40	30		EEEBMO
N#Cc1cccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1	ZINC000096047679	463152398	/nfs/dbraw/zinc/15/23/98/463152398.db2.gz	QSNYGAQTCLOBFJ-PKOBYXMFSA-N	1	1	335.411	2.194	40	30		EEEBMO
C=CC[N@H+]1CCO[C@@H]2CN(C(=O)NCc3ccccc3)CC[C@@H]2C1	ZINC000096249648	463227820	/nfs/dbraw/zinc/22/78/20/463227820.db2.gz	JQAXGEZODCGBMP-QZTJIDSGSA-N	1	1	329.444	2.105	40	30		EEEBMO
C[C@](O)(CNc1ccc(C(F)(F)F)cc1C#N)C[NH+]1CCOCC1	ZINC000096483039	280144406	/nfs/dbraw/zinc/14/44/06/280144406.db2.gz	PLPVZTRDXIJGIE-HNNXBMFYSA-N	1	1	343.349	2.072	40	30		EEEBMO
CC[NH+]=C(NCc1sccc1C)NCC1(N(C)C)CCOCC1	ZINC000088603698	462639455	/nfs/dbraw/zinc/63/94/55/462639455.db2.gz	LODXWKUNQSDTIX-UHFFFAOYSA-N	1	1	338.521	2.222	40	30		EEEBMO
C[C@@](O)(CNc1ccc(C(F)(F)F)cc1C#N)C[NH+]1CCOCC1	ZINC000096483038	463281409	/nfs/dbraw/zinc/28/14/09/463281409.db2.gz	PLPVZTRDXIJGIE-OAHLLOKOSA-N	1	1	343.349	2.072	40	30		EEEBMO
C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1cccc(C#N)c1	ZINC000249208049	464852526	/nfs/dbraw/zinc/85/25/26/464852526.db2.gz	SCXULBFIAFLYAI-GJZGRUSLSA-N	1	1	335.473	2.098	40	30		EEEBMO
C[N@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccccc1	ZINC000249027062	290140909	/nfs/dbraw/zinc/14/09/09/290140909.db2.gz	LCHUWWUVQXOPHC-NVXWUHKLSA-N	1	1	338.415	2.364	40	30		EEEBMO
Cc1csc(=O)n1CC[N@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000044937821	462541502	/nfs/dbraw/zinc/54/15/02/462541502.db2.gz	PYHMQHPGIXVHIP-UHFFFAOYSA-N	1	1	342.468	2.302	40	30		EEEBMO
N#Cc1ccc(C(F)(F)F)c(N2CC[C@H]([NH+]3CCOCC3)C2)c1	ZINC000097096933	463322925	/nfs/dbraw/zinc/32/29/25/463322925.db2.gz	WERMPKGDYICIBU-ZDUSSCGKSA-N	1	1	325.334	2.488	40	30		EEEBMO
C[N@H+]1C[C@@H]2[C@H](C3=C(CC(C)(C)CC3=O)N2Cc2ccccc2)[C@@H](O)C1	ZINC000004273418	210157824	/nfs/dbraw/zinc/15/78/24/210157824.db2.gz	KOHMZZHVNVAGOM-KPFFTGBYSA-N	1	1	340.467	2.437	40	30		EEEBMO
CCNC(NCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)=[NH+]CC	ZINC000066244142	462866420	/nfs/dbraw/zinc/86/64/20/462866420.db2.gz	SMUDSGWFKHTAGI-IYBDPMFKSA-N	1	1	332.492	2.371	40	30		EEEBMO
N#Cc1cccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4nccs4)C3)C2)n1	ZINC000096047669	463151381	/nfs/dbraw/zinc/15/13/81/463151381.db2.gz	PYNPSNMPNJYAJW-YOEHRIQHSA-N	1	1	341.440	2.255	40	30		EEEBMO
N#Cc1cccc(N[C@@H]2CO[C@@]3(CC[N@@H+](Cc4nccs4)C3)C2)n1	ZINC000096047669	463151389	/nfs/dbraw/zinc/15/13/89/463151389.db2.gz	PYNPSNMPNJYAJW-YOEHRIQHSA-N	1	1	341.440	2.255	40	30		EEEBMO
N#CC1(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1	ZINC000096406422	463240705	/nfs/dbraw/zinc/24/07/05/463240705.db2.gz	UAYBDRPMNHIJQD-KRWDZBQOSA-N	1	1	327.428	2.088	40	30		EEEBMO
C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1COc1ccccc1)C1CC1	ZINC000252477178	464959574	/nfs/dbraw/zinc/95/95/74/464959574.db2.gz	JQZHPILZXPSPNG-QFBILLFUSA-N	1	1	327.428	2.338	40	30		EEEBMO
C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1COc1ccccc1)C1CC1	ZINC000252477178	464959579	/nfs/dbraw/zinc/95/95/79/464959579.db2.gz	JQZHPILZXPSPNG-QFBILLFUSA-N	1	1	327.428	2.338	40	30		EEEBMO
CCOc1ccccc1C[N@@H+]1CCN(c2cnc(C#N)cn2)[C@@H](C)C1	ZINC000252536181	464981148	/nfs/dbraw/zinc/98/11/48/464981148.db2.gz	HUCGSFXFALZQIE-HNNXBMFYSA-N	1	1	337.427	2.458	40	30		EEEBMO
CCOc1ccccc1C[N@H+]1CCN(c2cnc(C#N)cn2)[C@@H](C)C1	ZINC000252536181	464981152	/nfs/dbraw/zinc/98/11/52/464981152.db2.gz	HUCGSFXFALZQIE-HNNXBMFYSA-N	1	1	337.427	2.458	40	30		EEEBMO
C[N@H+]1C[C@@H](C(=O)N2CCC(C#N)CC2)[C@@H]2COc3ccc(F)cc3[C@@H]21	ZINC001772595912	1178866370	/nfs/dbraw/zinc/86/63/70/1178866370.db2.gz	SDIKZBHWWOOTPU-RYRKJORJSA-N	1	1	343.402	2.199	40	30		EEEBMO
CN(C)C(=O)c1nc2c(s1)CC[N@@H+](Cc1cccc(C#N)c1)CC2	ZINC000096187577	463199162	/nfs/dbraw/zinc/19/91/62/463199162.db2.gz	HUSTXXIJHHVKFH-UHFFFAOYSA-N	1	1	340.452	2.317	40	30		EEEBMO
Cn1cc(C[NH2+]Cc2nnc3ccccn32)c(-c2ccc(C#N)cc2)n1	ZINC000195552822	464075744	/nfs/dbraw/zinc/07/57/44/464075744.db2.gz	OLQLKFXEIDOCKA-UHFFFAOYSA-N	1	1	343.394	2.291	40	30		EEEBMO
Cn1cc([C@H]2CSCC[N@@H+]2CCOc2cccc(C#N)c2)cn1	ZINC000191211873	464798948	/nfs/dbraw/zinc/79/89/48/464798948.db2.gz	CLBLQJNSVJKULP-QGZVFWFLSA-N	1	1	328.441	2.461	40	30		EEEBMO
Cn1cc([C@H]2CSCC[N@H+]2CCOc2cccc(C#N)c2)cn1	ZINC000191211873	464798956	/nfs/dbraw/zinc/79/89/56/464798956.db2.gz	CLBLQJNSVJKULP-QGZVFWFLSA-N	1	1	328.441	2.461	40	30		EEEBMO
Cn1cc([C@@H]2CSCC[N@@H+]2CCOc2cccc(C#N)c2)cn1	ZINC000191211856	464799881	/nfs/dbraw/zinc/79/98/81/464799881.db2.gz	CLBLQJNSVJKULP-KRWDZBQOSA-N	1	1	328.441	2.461	40	30		EEEBMO
Cn1cc([C@@H]2CSCC[N@H+]2CCOc2cccc(C#N)c2)cn1	ZINC000191211856	464799884	/nfs/dbraw/zinc/79/98/84/464799884.db2.gz	CLBLQJNSVJKULP-KRWDZBQOSA-N	1	1	328.441	2.461	40	30		EEEBMO
N#Cc1cccc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2)n1	ZINC000096047680	463151141	/nfs/dbraw/zinc/15/11/41/463151141.db2.gz	HCNZCQCOJCSWJV-IEBWSBKVSA-N	1	1	335.411	2.194	40	30		EEEBMO
O=C(NCC#CC[N@@H+]1CCc2ccccc2C1)c1cc(C2CC2)on1	ZINC000075165048	462690319	/nfs/dbraw/zinc/69/03/19/462690319.db2.gz	JEKZXZIHXKYVGB-UHFFFAOYSA-N	1	1	335.407	2.344	40	30		EEEBMO
O=C(NCC#CC[N@H+]1CCc2ccccc2C1)c1cc(C2CC2)on1	ZINC000075165048	462690323	/nfs/dbraw/zinc/69/03/23/462690323.db2.gz	JEKZXZIHXKYVGB-UHFFFAOYSA-N	1	1	335.407	2.344	40	30		EEEBMO
C#CCC[NH+]1CCN(C(=O)c2ccc(OCc3ccccn3)cc2)CC1	ZINC000096426345	463255965	/nfs/dbraw/zinc/25/59/65/463255965.db2.gz	QJWCQZHYVRZGKH-UHFFFAOYSA-N	1	1	349.434	2.442	40	30		EEEBMO
C=CCc1ccc(OC[C@@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC)c1	ZINC000019772722	463020735	/nfs/dbraw/zinc/02/07/35/463020735.db2.gz	KDUGLTZTMQVDGV-ZOBUZTSGSA-N	1	1	335.444	2.273	40	30		EEEBMO
C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1	ZINC000249269357	464856978	/nfs/dbraw/zinc/85/69/78/464856978.db2.gz	JWBZWGZLLDIQQK-RHSMWYFYSA-N	1	1	333.457	2.119	40	30		EEEBMO
C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1	ZINC000249269357	464856984	/nfs/dbraw/zinc/85/69/84/464856984.db2.gz	JWBZWGZLLDIQQK-RHSMWYFYSA-N	1	1	333.457	2.119	40	30		EEEBMO
N#Cc1cccc(N2C[C@]3(CC[N@H+](C4CCOCC4)C3)CC2=O)c1	ZINC000096238914	283209907	/nfs/dbraw/zinc/20/99/07/283209907.db2.gz	GHUFELHTIRIONX-LJQANCHMSA-N	1	1	325.412	2.166	40	30		EEEBMO
CC[C@]1(C)C[C@@]2(CCC[N@@H+](CC#CCN3CCOCC3)C2)CCO1	ZINC000004764456	462637218	/nfs/dbraw/zinc/63/72/18/462637218.db2.gz	QCWLWXCLQMWJSW-WOJBJXKFSA-N	1	1	334.504	2.383	40	30		EEEBMO
N#Cc1cccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2)n1	ZINC000096047681	463151464	/nfs/dbraw/zinc/15/14/64/463151464.db2.gz	HCNZCQCOJCSWJV-PKOBYXMFSA-N	1	1	335.411	2.194	40	30		EEEBMO
COCC[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(C)C)C1=O	ZINC000192558570	277217929	/nfs/dbraw/zinc/21/79/29/277217929.db2.gz	HOXZSLOCJFZHOZ-GOSISDBHSA-N	1	1	329.444	2.406	40	30		EEEBMO
COCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(C)C)C1=O	ZINC000192558570	277217930	/nfs/dbraw/zinc/21/79/30/277217930.db2.gz	HOXZSLOCJFZHOZ-GOSISDBHSA-N	1	1	329.444	2.406	40	30		EEEBMO
C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000195530442	290219083	/nfs/dbraw/zinc/21/90/83/290219083.db2.gz	LVVFCECIBYUMAR-CRAIPNDOSA-N	1	1	327.428	2.190	40	30		EEEBMO
C[C@@H]1C[C@@H](OC[C@@H](S)C[NH+]2CCN(CO)CC2)CC(C)(C)C1	ZINC000033532815	525284363	/nfs/dbraw/zinc/28/43/63/525284363.db2.gz	ICRJMXAQCCNBSP-OAGGEKHMSA-N	1	1	330.538	2.084	40	30		EEEBMO
N#Cc1cccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4nccs4)C3)C2)n1	ZINC000096047667	463151652	/nfs/dbraw/zinc/15/16/52/463151652.db2.gz	PYNPSNMPNJYAJW-WMLDXEAASA-N	1	1	341.440	2.255	40	30		EEEBMO
N#Cc1cccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4nccs4)C3)C2)n1	ZINC000096047667	463151659	/nfs/dbraw/zinc/15/16/59/463151659.db2.gz	PYNPSNMPNJYAJW-WMLDXEAASA-N	1	1	341.440	2.255	40	30		EEEBMO
Cc1cc(F)cc2c1ncc(C#N)c2NC[C@@H]1C[N@H+](C)CCN1C	ZINC000096429466	463258995	/nfs/dbraw/zinc/25/89/95/463258995.db2.gz	USPIFRNDQDKLHQ-OAHLLOKOSA-N	1	1	327.407	2.212	40	30		EEEBMO
C#Cc1cccc(NC(=O)CN(C)c2cncc(-n3cc[nH+]c3C)n2)c1	ZINC000097104668	463325328	/nfs/dbraw/zinc/32/53/28/463325328.db2.gz	NLANXYGNRJSRMK-UHFFFAOYSA-N	1	1	346.394	2.027	40	30		EEEBMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c(F)c1	ZINC000195545865	464074871	/nfs/dbraw/zinc/07/48/71/464074871.db2.gz	JDASMNASNYZSKT-QGZVFWFLSA-N	1	1	326.371	2.495	40	30		EEEBMO
C=CC[N@H+]1C[C@@H]2CN(Cc3cccnc3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055979	463158143	/nfs/dbraw/zinc/15/81/43/463158143.db2.gz	AWDLPGATYJIXRZ-ICSRJNTNSA-N	1	1	343.471	2.345	40	30		EEEBMO
N#Cc1cccc(N2C[C@@]3(CC[N@H+](C4CCOCC4)C3)CC2=O)c1	ZINC000096238913	463224230	/nfs/dbraw/zinc/22/42/30/463224230.db2.gz	GHUFELHTIRIONX-IBGZPJMESA-N	1	1	325.412	2.166	40	30		EEEBMO
C[C@H]1C[N@@H+]([C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)CCN1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2	ZINC000100986995	533974287	/nfs/dbraw/zinc/97/42/87/533974287.db2.gz	NVGJHFALHAUOTL-PFXRJHJYSA-N	1	1	346.475	2.250	40	30		EEEBMO
C[C@H]1C[N@H+]([C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)CCN1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2	ZINC000100986995	533974301	/nfs/dbraw/zinc/97/43/01/533974301.db2.gz	NVGJHFALHAUOTL-PFXRJHJYSA-N	1	1	346.475	2.250	40	30		EEEBMO
COCC[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(C)C)C1=O	ZINC000192558555	201053541	/nfs/dbraw/zinc/05/35/41/201053541.db2.gz	HOXZSLOCJFZHOZ-SFHVURJKSA-N	1	1	329.444	2.406	40	30		EEEBMO
COCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(C)C)C1=O	ZINC000192558555	201053544	/nfs/dbraw/zinc/05/35/44/201053544.db2.gz	HOXZSLOCJFZHOZ-SFHVURJKSA-N	1	1	329.444	2.406	40	30		EEEBMO
N#CC1(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1	ZINC000096406423	463240589	/nfs/dbraw/zinc/24/05/89/463240589.db2.gz	UAYBDRPMNHIJQD-QGZVFWFLSA-N	1	1	327.428	2.088	40	30		EEEBMO
CC1=C[C@@H](CC#N)[C@H](C(C)C)C[C@H]1CC(=O)N1CC[NH+](CCO)CC1	ZINC000030882484	463315574	/nfs/dbraw/zinc/31/55/74/463315574.db2.gz	ITEREEYPHAIAQL-QYZOEREBSA-N	1	1	347.503	2.281	40	30	biogenic,in-vitro	EEEBMO
CCOc1cc(C=NNC(N)=[NH2+])ccc1OC(=O)c1cccc(C)c1	ZINC000059399015	463643265	/nfs/dbraw/zinc/64/32/65/463643265.db2.gz	QEXJDTZRWLYCBQ-SRZZPIQSSA-N	1	1	340.383	2.220	40	30		EEEBMO
Cc1cnn([C@@H]2CCN(C([O-])=[NH+]C[C@H]3CCCn4cc[nH+]c43)C2)c1	ZINC000329619730	465388496	/nfs/dbraw/zinc/38/84/96/465388496.db2.gz	QXTUITZRAGPCME-HUUCEWRRSA-N	1	1	328.420	2.126	40	30		EEEBMO
C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000096411336	290218797	/nfs/dbraw/zinc/21/87/97/290218797.db2.gz	LVVFCECIBYUMAR-QAPCUYQASA-N	1	1	327.428	2.190	40	30		EEEBMO
C[N@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1ccccc1	ZINC000189660909	277168015	/nfs/dbraw/zinc/16/80/15/277168015.db2.gz	LCHUWWUVQXOPHC-RDJZCZTQSA-N	1	1	338.415	2.364	40	30		EEEBMO
N#Cc1cccc(C[N@@H+]2CCc3ncc(Cn4cccn4)n3CC2)c1	ZINC000096196940	463202400	/nfs/dbraw/zinc/20/24/00/463202400.db2.gz	QFKQOGYPQDSJNV-UHFFFAOYSA-N	1	1	332.411	2.058	40	30		EEEBMO
COc1cc(C[N@H+]2CC[C@H](Nc3nccnc3C#N)C2)cc(OC)c1	ZINC000088751440	462643597	/nfs/dbraw/zinc/64/35/97/462643597.db2.gz	ZXBLVXHXGKBDNA-AWEZNQCLSA-N	1	1	339.399	2.052	40	30		EEEBMO
C[C@@H]1CCN(S(=O)(=O)CCCC#N)CC[N@H+]1Cc1ccccc1	ZINC000096433537	463262153	/nfs/dbraw/zinc/26/21/53/463262153.db2.gz	JKLVHXHRKXQDHY-MRXNPFEDSA-N	1	1	335.473	2.216	40	30		EEEBMO
O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3/C(=N/O)[C@H]4CC[C@@H]3C4)CC2)cc1	ZINC000035191321	280367064	/nfs/dbraw/zinc/36/70/64/280367064.db2.gz	ZCCKXNDQPASUOS-MNYSTJCXSA-N	1	1	330.388	2.346	40	30		EEEBMO
C#C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1cc(OC)cc(OC)c1	ZINC000008300636	462777286	/nfs/dbraw/zinc/77/72/86/462777286.db2.gz	SDRGEMKIXHLRFZ-OFQRWUPVSA-N	1	1	343.427	2.169	40	30	biogenic,in-vitro	EEEBMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C	ZINC000253421235	465009188	/nfs/dbraw/zinc/00/91/88/465009188.db2.gz	SJMFPCANFRRJKB-NXWXRZEISA-N	1	1	343.471	2.389	40	30		EEEBMO
Cc1nnsc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000330222256	465574648	/nfs/dbraw/zinc/57/46/48/465574648.db2.gz	MFVAQYQVOMSIJD-GXTWGEPZSA-N	1	1	335.477	2.209	40	30		EEEBMO
N#Cc1cccc(N[C@@H]2CO[C@]3(CC[N@@H+](CC4CCOCC4)C3)C2)n1	ZINC000096047701	463152167	/nfs/dbraw/zinc/15/21/67/463152167.db2.gz	BQLAIDRJUWJSRV-PKOBYXMFSA-N	1	1	342.443	2.025	40	30		EEEBMO
CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](N2CCNC2=O)C1	ZINC000095425728	463082320	/nfs/dbraw/zinc/08/23/20/463082320.db2.gz	BEVLVGUQCAKCKU-INIZCTEOSA-N	1	1	326.444	2.477	40	30		EEEBMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C	ZINC000253421237	465009550	/nfs/dbraw/zinc/00/95/50/465009550.db2.gz	SJMFPCANFRRJKB-OQIJWPOYSA-N	1	1	343.471	2.389	40	30		EEEBMO
Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COc3ccc(C#N)cn3)C2)o1	ZINC000096109096	463178757	/nfs/dbraw/zinc/17/87/57/463178757.db2.gz	HKCIZNPVDXNWHE-APWZRJJASA-N	1	1	339.395	2.382	40	30		EEEBMO
N#Cc1cccc(CN2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1	ZINC000096196855	463202857	/nfs/dbraw/zinc/20/28/57/463202857.db2.gz	XUQLTIIGBHWFRP-UHFFFAOYSA-N	1	1	335.455	2.409	40	30		EEEBMO
Cn1cncc1C[N@H+]1CC[C@]2(C[C@H](Nc3cccc(C#N)c3)CO2)C1	ZINC000096218880	463215888	/nfs/dbraw/zinc/21/58/88/463215888.db2.gz	QMEPEBBTVBUHJS-HKUYNNGSSA-N	1	1	337.427	2.137	40	30		EEEBMO
C=CCn1c(=O)ccc2c1CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2	ZINC000096196667	463201849	/nfs/dbraw/zinc/20/18/49/463201849.db2.gz	VJHUPPQOVKXVGL-UHFFFAOYSA-N	1	1	338.407	2.364	40	30		EEEBMO
CNC(=O)C[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2C#N)CC1	ZINC000096466537	463278420	/nfs/dbraw/zinc/27/84/20/463278420.db2.gz	KJKCXEZUJHAGRR-UHFFFAOYSA-N	1	1	340.349	2.199	40	30		EEEBMO
C#CCn1cc(C[N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)cn1	ZINC000160273615	463324976	/nfs/dbraw/zinc/32/49/76/463324976.db2.gz	ZLVLDOXBMKFLJP-UHFFFAOYSA-N	1	1	330.476	2.233	40	30		EEEBMO
CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000078078758	217020307	/nfs/dbraw/zinc/02/03/07/217020307.db2.gz	LSSAMRCIYKCHHY-HXUWFJFHSA-N	1	1	349.434	2.418	40	30		EEEBMO
CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000078078758	217020311	/nfs/dbraw/zinc/02/03/11/217020311.db2.gz	LSSAMRCIYKCHHY-HXUWFJFHSA-N	1	1	349.434	2.418	40	30		EEEBMO
C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000195530441	287130895	/nfs/dbraw/zinc/13/08/95/287130895.db2.gz	LVVFCECIBYUMAR-MAUKXSAKSA-N	1	1	327.428	2.190	40	30		EEEBMO
C=CC[N@H+]1C[C@@H]2CN(Cc3ccccn3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055978	463158670	/nfs/dbraw/zinc/15/86/70/463158670.db2.gz	OONHENHSDADNQW-PXNSSMCTSA-N	1	1	343.471	2.345	40	30		EEEBMO
N#Cc1cccc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1	ZINC000107728731	463579941	/nfs/dbraw/zinc/57/99/41/463579941.db2.gz	QSNYGAQTCLOBFJ-IEBWSBKVSA-N	1	1	335.411	2.194	40	30		EEEBMO
C=CC[N@H+]1CCO[C@@H]2CN(c3cc(C(F)(F)F)ncn3)CC[C@@H]2C1	ZINC000096249629	463226717	/nfs/dbraw/zinc/22/67/17/463226717.db2.gz	UHDKEIQRTQLZFL-CHWSQXEVSA-N	1	1	342.365	2.209	40	30		EEEBMO
C=CC[N@@H+]1CCC[C@@]2(CC1)CN(C(=O)COC)Cc1ccccc1O2	ZINC000012365581	462851684	/nfs/dbraw/zinc/85/16/84/462851684.db2.gz	OAJDJGOHFPOEMT-HXUWFJFHSA-N	1	1	344.455	2.465	40	30		EEEBMO
C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1	ZINC000249269359	464857479	/nfs/dbraw/zinc/85/74/79/464857479.db2.gz	JWBZWGZLLDIQQK-WMLDXEAASA-N	1	1	333.457	2.119	40	30		EEEBMO
C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1	ZINC000249269359	464857485	/nfs/dbraw/zinc/85/74/85/464857485.db2.gz	JWBZWGZLLDIQQK-WMLDXEAASA-N	1	1	333.457	2.119	40	30		EEEBMO
Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](Cc1ccc(C#N)cc1)C2	ZINC000225493678	464167031	/nfs/dbraw/zinc/16/70/31/464167031.db2.gz	IQPCJZUXYZQDIR-IBGZPJMESA-N	1	1	336.439	2.465	40	30	biogenic,in-vitro	EEEBMO
Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](Cc1ccc(C#N)cc1)C2	ZINC000225493678	464167033	/nfs/dbraw/zinc/16/70/33/464167033.db2.gz	IQPCJZUXYZQDIR-IBGZPJMESA-N	1	1	336.439	2.465	40	30	biogenic,in-vitro	EEEBMO
C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCO3)CC[C@@]2(c2ccccc2)C1	ZINC000248170349	464737284	/nfs/dbraw/zinc/73/72/84/464737284.db2.gz	RPRCGOWIULOATA-SBHAEUEKSA-N	1	1	340.467	2.454	40	30		EEEBMO
C=CC[N@H+]1CC[C@@H]2OC[C@H](C(=O)NCCc3cccs3)C[C@@H]2C1	ZINC000096042675	463147752	/nfs/dbraw/zinc/14/77/52/463147752.db2.gz	AVMHQXLEQJXXEN-INMHGKMJSA-N	1	1	334.485	2.320	40	30		EEEBMO
N#Cc1cccc(C[N@@H+]2CCc3n[nH]c(C(=O)N4CCCC4)c3C2)c1	ZINC000096187389	463199025	/nfs/dbraw/zinc/19/90/25/463199025.db2.gz	PSVZAMRINFQLAD-UHFFFAOYSA-N	1	1	335.411	2.076	40	30		EEEBMO
N#Cc1cccc(C[N@H+]2CCc3n[nH]c(C(=O)N4CCCC4)c3C2)c1	ZINC000096187389	463199033	/nfs/dbraw/zinc/19/90/33/463199033.db2.gz	PSVZAMRINFQLAD-UHFFFAOYSA-N	1	1	335.411	2.076	40	30		EEEBMO
Cn1cc(C[N@H+]2CC[C@@]3(C[C@H](Nc4cccc(C#N)c4)CO3)C2)cn1	ZINC000096218873	463216389	/nfs/dbraw/zinc/21/63/89/463216389.db2.gz	DYIABHPWKCEFNE-RBUKOAKNSA-N	1	1	337.427	2.137	40	30		EEEBMO
N#Cc1cccc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1	ZINC000107728739	463579982	/nfs/dbraw/zinc/57/99/82/463579982.db2.gz	QSNYGAQTCLOBFJ-MJGOQNOKSA-N	1	1	335.411	2.194	40	30		EEEBMO
N#Cc1cccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4ccncc4)C3)C2)n1	ZINC000096047685	463152222	/nfs/dbraw/zinc/15/22/22/463152222.db2.gz	UTBCJBAQCXVQNV-PKOBYXMFSA-N	1	1	335.411	2.194	40	30		EEEBMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1	ZINC000096414961	463247433	/nfs/dbraw/zinc/24/74/33/463247433.db2.gz	LJCCQWIUTCLMON-ZBFHGGJFSA-N	1	1	345.418	2.481	40	30		EEEBMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1	ZINC000096414961	463247434	/nfs/dbraw/zinc/24/74/34/463247434.db2.gz	LJCCQWIUTCLMON-ZBFHGGJFSA-N	1	1	345.418	2.481	40	30		EEEBMO
C=CCOc1cc(C(=O)NCCC[NH+]2CCOCC2)cc2occc21	ZINC000072240267	216079637	/nfs/dbraw/zinc/07/96/37/216079637.db2.gz	OGRSQIUJBIAOIV-UHFFFAOYSA-N	1	1	344.411	2.450	40	30		EEEBMO
Cc1ccc2c(c1)[C@@]1(C)C=C(CN3CC[NH+](C)CC3)C(=O)C[C@@H]1O2	ZINC000019364748	463017648	/nfs/dbraw/zinc/01/76/48/463017648.db2.gz	ZULLLCBLCVVHKZ-VQTJNVASSA-N	1	1	326.440	2.160	40	30		EEEBMO
CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000058180490	463549080	/nfs/dbraw/zinc/54/90/80/463549080.db2.gz	HTZYGKNDHFYSAL-MRXNPFEDSA-N	1	1	335.473	2.491	40	30		EEEBMO
CC(C)(O)C[N@@H+](C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000192795556	464998838	/nfs/dbraw/zinc/99/88/38/464998838.db2.gz	MFELCGSKCAZVTG-QGZVFWFLSA-N	1	1	327.428	2.289	40	30		EEEBMO
Cc1noc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1	ZINC000328884768	465157050	/nfs/dbraw/zinc/15/70/50/465157050.db2.gz	MZZKLFAUGWTCGL-GLQYFDAESA-N	1	1	329.404	2.388	40	30		EEEBMO
C#CCC[NH+]1CCN(C(=O)c2ccc(OC3CCOCC3)cc2)CC1	ZINC000096426344	463255644	/nfs/dbraw/zinc/25/56/44/463255644.db2.gz	CBOUSIVUIHCMCR-UHFFFAOYSA-N	1	1	342.439	2.026	40	30		EEEBMO
N#Cc1ccc(N2C[C@]3(CC[N@H+](C4CCOCC4)C3)CC2=O)cc1	ZINC000096077459	283172329	/nfs/dbraw/zinc/17/23/29/283172329.db2.gz	OOSWRDHFGRRXQT-LJQANCHMSA-N	1	1	325.412	2.166	40	30		EEEBMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C#Cc1ccccc1	ZINC000188087930	464196312	/nfs/dbraw/zinc/19/63/12/464196312.db2.gz	SZKIXHZJJBDAFG-QFIPXVFZSA-N	1	1	348.446	2.134	40	30		EEEBMO
C=CCOc1ccc(NC(=S)NCCC[NH+]2CCOCC2)cc1	ZINC000225586026	464173880	/nfs/dbraw/zinc/17/38/80/464173880.db2.gz	QIMVLFLIBYNVRV-UHFFFAOYSA-N	1	1	335.473	2.260	40	30		EEEBMO
N#Cc1cccc(OC[C@@H]2CO[C@@H]3C[N@H+](C4CCOCC4)C[C@H]23)c1	ZINC000096217200	218691834	/nfs/dbraw/zinc/69/18/34/218691834.db2.gz	VFWRQANCKRDCTE-ATZDWAIDSA-N	1	1	328.412	2.063	40	30		EEEBMO
Cc1noc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1	ZINC000328884770	465156636	/nfs/dbraw/zinc/15/66/36/465156636.db2.gz	MZZKLFAUGWTCGL-NILFDRSVSA-N	1	1	329.404	2.388	40	30		EEEBMO
N#Cc1cccc(N[C@H]2CO[C@]3(CC[N@@H+](CC4CCOCC4)C3)C2)n1	ZINC000096047700	463151510	/nfs/dbraw/zinc/15/15/10/463151510.db2.gz	BQLAIDRJUWJSRV-IEBWSBKVSA-N	1	1	342.443	2.025	40	30		EEEBMO
C=CC[N@H+]1C[C@@H]2CN(Cc3nccs3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055973	463157853	/nfs/dbraw/zinc/15/78/53/463157853.db2.gz	CRARUJZNIPFDSC-YJBOKZPZSA-N	1	1	349.500	2.406	40	30		EEEBMO
N#Cc1cc(C(F)(F)F)ccc1N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000096484301	463282293	/nfs/dbraw/zinc/28/22/93/463282293.db2.gz	RYLSRBOKOPKREK-AWEZNQCLSA-N	1	1	325.334	2.488	40	30		EEEBMO
COc1cc(C=NNC(N)=[NH2+])ccc1OC(=O)c1ccc(Cl)cc1	ZINC000041224100	463473320	/nfs/dbraw/zinc/47/33/20/463473320.db2.gz	SYPMLGDPVFOITG-AWQFTUOYSA-N	1	1	346.774	2.175	40	30		EEEBMO
Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](Cc1cccc(C#N)c1)C2	ZINC000225493624	464166912	/nfs/dbraw/zinc/16/69/12/464166912.db2.gz	WITYMLYGFMEFLC-IBGZPJMESA-N	1	1	336.439	2.465	40	30	biogenic,in-vitro	EEEBMO
Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](Cc1cccc(C#N)c1)C2	ZINC000225493624	464166915	/nfs/dbraw/zinc/16/69/15/464166915.db2.gz	WITYMLYGFMEFLC-IBGZPJMESA-N	1	1	336.439	2.465	40	30	biogenic,in-vitro	EEEBMO
C=C(C)CNC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1	ZINC000157556410	463142374	/nfs/dbraw/zinc/14/23/74/463142374.db2.gz	LPHAISIWLSNCIS-UHFFFAOYSA-N	1	1	344.459	2.091	40	30		EEEBMO
C[N@H+]1[C@@H](Cn2cccn2)C[C@@H]2CN(Cc3cccc(C#N)c3)CC[C@@H]21	ZINC000096064418	463163253	/nfs/dbraw/zinc/16/32/53/463163253.db2.gz	KRXAPZHBFLJRQU-AQNXPRMDSA-N	1	1	335.455	2.350	40	30		EEEBMO
C=CCN1CC[C@]2(C[N@H+]([C@@H]3CCOC3)C[C@H]2c2ccccc2)C1=O	ZINC000096201900	463207480	/nfs/dbraw/zinc/20/74/80/463207480.db2.gz	HOJMSNCSGAGBQM-WSTZPKSXSA-N	1	1	326.440	2.279	40	30		EEEBMO
Cc1cc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n(C)n1	ZINC000058397001	463592174	/nfs/dbraw/zinc/59/21/74/463592174.db2.gz	AXTWUUDDTTXTEI-UHFFFAOYSA-N	1	1	325.416	2.449	40	30		EEEBMO
Cc1cc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n(C)n1	ZINC000058397001	463592178	/nfs/dbraw/zinc/59/21/78/463592178.db2.gz	AXTWUUDDTTXTEI-UHFFFAOYSA-N	1	1	325.416	2.449	40	30		EEEBMO
C[C@H](O)[C@@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245289669	464470169	/nfs/dbraw/zinc/47/01/69/464470169.db2.gz	DJESYXFDJSHQIA-LESCRADOSA-N	1	1	327.428	2.146	40	30		EEEBMO
C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccc(CC#N)cc2)C[C@H](C)O1	ZINC000193731528	240286183	/nfs/dbraw/zinc/28/61/83/240286183.db2.gz	BFKADIMOGGNVNJ-GASCZTMLSA-N	1	1	330.432	2.326	40	30		EEEBMO
C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccc(CC#N)cc2)C[C@H](C)O1	ZINC000193731528	240286188	/nfs/dbraw/zinc/28/61/88/240286188.db2.gz	BFKADIMOGGNVNJ-GASCZTMLSA-N	1	1	330.432	2.326	40	30		EEEBMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1cccc(C#N)c1	ZINC000189146133	464444455	/nfs/dbraw/zinc/44/44/55/464444455.db2.gz	SCXULBFIAFLYAI-LSDHHAIUSA-N	1	1	335.473	2.098	40	30		EEEBMO
COc1ccc2c(c1O)[C@@]13CC[N@@H+](C)[C@@H](C2)[C@@H]1C=C(OC)C(=O)C3	ZINC000000000181	462540373	/nfs/dbraw/zinc/54/03/73/462540373.db2.gz	INYYVPJSBIVGPH-WTOJCKNJSA-N	1	1	329.396	2.018	40	30	biogenic,in-vitro	EEEBMO
C=CCOC[C@H]1CN(C)C(=O)[C@@H]2CC[N@H+](Cc3ccccn3)CC[C@H]12	ZINC000096065565	463163109	/nfs/dbraw/zinc/16/31/09/463163109.db2.gz	LUZYLOSOMDSKKK-BHIYHBOVSA-N	1	1	343.471	2.201	40	30		EEEBMO
C[C@H]1C[C@H](OC[C@H](S)C[NH+]2CCN(CO)CC2)CC(C)(C)C1	ZINC000022863968	524937902	/nfs/dbraw/zinc/93/79/02/524937902.db2.gz	ICRJMXAQCCNBSP-HRCADAONSA-N	1	1	330.538	2.084	40	30		EEEBMO
CCN(CC)/C(CC(=O)C(C)(C)C)=[NH+]\CCCN1CCN(C)CC1	ZINC000104200940	219360015	/nfs/dbraw/zinc/36/00/15/219360015.db2.gz	IDEPOYYXPUJJHZ-ZZEZOPTASA-N	1	1	338.540	2.370	40	30		EEEBMO
CN1CC[NH+](Cc2ccc(C(=O)N(CC#N)C3CCCC3)cc2)CC1	ZINC000074680237	462624577	/nfs/dbraw/zinc/62/45/77/462624577.db2.gz	HCCNFWWMSVMOOF-UHFFFAOYSA-N	1	1	340.471	2.342	40	30		EEEBMO
N#Cc1cccc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4ccncc4)C3)C2)n1	ZINC000096047686	463152018	/nfs/dbraw/zinc/15/20/18/463152018.db2.gz	UTBCJBAQCXVQNV-MJGOQNOKSA-N	1	1	335.411	2.194	40	30		EEEBMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1(C#N)CCC1	ZINC000096422415	463253750	/nfs/dbraw/zinc/25/37/50/463253750.db2.gz	WSCDMOVDBBGXQN-INIZCTEOSA-N	1	1	326.444	2.007	40	30		EEEBMO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1COc1ccccc1)C1CC1	ZINC000252477177	464959117	/nfs/dbraw/zinc/95/91/17/464959117.db2.gz	JQZHPILZXPSPNG-LPHOPBHVSA-N	1	1	327.428	2.338	40	30		EEEBMO
C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1COc1ccccc1)C1CC1	ZINC000252477177	464959119	/nfs/dbraw/zinc/95/91/19/464959119.db2.gz	JQZHPILZXPSPNG-LPHOPBHVSA-N	1	1	327.428	2.338	40	30		EEEBMO
C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)C2(C#N)CCCC2)CC1	ZINC000390835031	467414850	/nfs/dbraw/zinc/41/48/50/467414850.db2.gz	BBYFHYDVMBBCAP-UHFFFAOYSA-N	1	1	349.475	2.335	40	30		EEEBMO
C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)C2(C#N)CCCC2)CC1	ZINC000390835031	467414854	/nfs/dbraw/zinc/41/48/54/467414854.db2.gz	BBYFHYDVMBBCAP-UHFFFAOYSA-N	1	1	349.475	2.335	40	30		EEEBMO
Cn1cncc1C[N@H+]1CC[C@@]2(C[C@@H](Nc3cccc(C#N)c3)CO2)C1	ZINC000107225980	204227422	/nfs/dbraw/zinc/22/74/22/204227422.db2.gz	QMEPEBBTVBUHJS-IEBWSBKVSA-N	1	1	337.427	2.137	40	30		EEEBMO
Cn1cncc1-c1nnc([C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)o1	ZINC000049170444	204369241	/nfs/dbraw/zinc/36/92/41/204369241.db2.gz	HQWDFPNJDCXDNF-HNNXBMFYSA-N	1	1	334.383	2.331	40	30	biogenic,in-vitro	EEEBMO
N#Cc1cccc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4ccncc4)C3)C2)n1	ZINC000096047684	463151200	/nfs/dbraw/zinc/15/12/00/463151200.db2.gz	UTBCJBAQCXVQNV-IEBWSBKVSA-N	1	1	335.411	2.194	40	30		EEEBMO
C=CCO[C@@H]1CC[N@H+](Cc2cccnc2OC)[C@H]1Cc1cnn(C)c1	ZINC000096200244	463205544	/nfs/dbraw/zinc/20/55/44/463205544.db2.gz	TUOOUDGDLZOOOF-ZWKOTPCHSA-N	1	1	342.443	2.212	40	30		EEEBMO
C=CC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)noc3C)CCC[C@]2(C(=O)[O-])C1	ZINC000096185188	463195962	/nfs/dbraw/zinc/19/59/62/463195962.db2.gz	FUCSKVOMCGCDPO-YJBOKZPZSA-N	1	1	333.432	2.076	40	30		EEEBMO
C=CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)noc3C)CCC[C@]2(C(=O)[O-])C1	ZINC000096185188	463195966	/nfs/dbraw/zinc/19/59/66/463195966.db2.gz	FUCSKVOMCGCDPO-YJBOKZPZSA-N	1	1	333.432	2.076	40	30		EEEBMO
C=CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(C)noc3C)CCC[C@]2(C(=O)[O-])C1	ZINC000096185188	463195971	/nfs/dbraw/zinc/19/59/71/463195971.db2.gz	FUCSKVOMCGCDPO-YJBOKZPZSA-N	1	1	333.432	2.076	40	30		EEEBMO
C=CC[N@H+]1C[C@@H]2C[NH+](Cc3c(C)noc3C)CCC[C@]2(C(=O)[O-])C1	ZINC000096185188	463195974	/nfs/dbraw/zinc/19/59/74/463195974.db2.gz	FUCSKVOMCGCDPO-YJBOKZPZSA-N	1	1	333.432	2.076	40	30		EEEBMO
N#Cc1cc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)ccc1F	ZINC000096434617	463262198	/nfs/dbraw/zinc/26/21/98/463262198.db2.gz	XZPTYCHXTHCXLZ-OAHLLOKOSA-N	1	1	334.395	2.056	40	30		EEEBMO
N#CCC(=O)Nc1cccc(C[NH+]2CCN(c3ccccn3)CC2)c1	ZINC000252508364	464975298	/nfs/dbraw/zinc/97/52/98/464975298.db2.gz	XLNABGPHFASTLE-UHFFFAOYSA-N	1	1	335.411	2.256	40	30		EEEBMO
CC(C)(O)C[N@@H+](C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000192795571	464998872	/nfs/dbraw/zinc/99/88/72/464998872.db2.gz	MFELCGSKCAZVTG-KRWDZBQOSA-N	1	1	327.428	2.289	40	30		EEEBMO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1	ZINC000096414960	463246979	/nfs/dbraw/zinc/24/69/79/463246979.db2.gz	LJCCQWIUTCLMON-HOCLYGCPSA-N	1	1	345.418	2.481	40	30		EEEBMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1	ZINC000096414960	463246982	/nfs/dbraw/zinc/24/69/82/463246982.db2.gz	LJCCQWIUTCLMON-HOCLYGCPSA-N	1	1	345.418	2.481	40	30		EEEBMO
COc1ccc(OC)c(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)c1	ZINC000096455751	463275706	/nfs/dbraw/zinc/27/57/06/463275706.db2.gz	QSUIGUZVGPCNPY-UHFFFAOYSA-N	1	1	338.411	2.293	40	30		EEEBMO
C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CCC1	ZINC000096493076	463287901	/nfs/dbraw/zinc/28/79/01/463287901.db2.gz	GLECPDHTIFRWSQ-SFHVURJKSA-N	1	1	344.434	2.019	40	30		EEEBMO
CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000078078618	202394707	/nfs/dbraw/zinc/39/47/07/202394707.db2.gz	YECYZWSGISCGGA-FQEVSTJZSA-N	1	1	349.434	2.418	40	30		EEEBMO
CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000078078618	202394710	/nfs/dbraw/zinc/39/47/10/202394710.db2.gz	YECYZWSGISCGGA-FQEVSTJZSA-N	1	1	349.434	2.418	40	30		EEEBMO
Cc1cnn([C@@H]2CCN(C([O-])=[NH+]C[C@@H]3CCCn4cc[nH+]c43)C2)c1	ZINC000329619731	465388751	/nfs/dbraw/zinc/38/87/51/465388751.db2.gz	QXTUITZRAGPCME-LSDHHAIUSA-N	1	1	328.420	2.126	40	30		EEEBMO
N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)c1	ZINC000096249735	463227642	/nfs/dbraw/zinc/22/76/42/463227642.db2.gz	KAZKOLSZTORZNT-RTBURBONSA-N	1	1	349.438	2.076	40	30		EEEBMO
N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H]2CC(=O)N3Cc2cccnc2)c1	ZINC000096183986	463195389	/nfs/dbraw/zinc/19/53/89/463195389.db2.gz	YJFYJELYYAXYCU-MOPGFXCFSA-N	1	1	332.407	2.329	40	30		EEEBMO
C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000096411335	463244048	/nfs/dbraw/zinc/24/40/48/463244048.db2.gz	LVVFCECIBYUMAR-YJBOKZPZSA-N	1	1	327.428	2.190	40	30		EEEBMO
C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	ZINC000247986919	464720833	/nfs/dbraw/zinc/72/08/33/464720833.db2.gz	ZJGHUXRTLFXBMS-BRWVUGGUSA-N	1	1	348.468	2.077	40	30		EEEBMO
C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	ZINC000247986919	464720836	/nfs/dbraw/zinc/72/08/36/464720836.db2.gz	ZJGHUXRTLFXBMS-BRWVUGGUSA-N	1	1	348.468	2.077	40	30		EEEBMO
C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1nccn1C(F)F	ZINC000331311458	466027218	/nfs/dbraw/zinc/02/72/18/466027218.db2.gz	GWPSRFUJZJTFDI-LLVKDONJSA-N	1	1	329.395	2.402	40	30		EEEBMO
CCN1CC[NH+]([C@@H]2CCN(Cc3ccc(Cl)cc3C#N)C2)CC1	ZINC000187002116	529151193	/nfs/dbraw/zinc/15/11/93/529151193.db2.gz	PLHPERYANFYORW-GOSISDBHSA-N	1	1	332.879	2.423	40	30		EEEBMO
N#Cc1cccc(C[N@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)c1	ZINC000096202307	463207007	/nfs/dbraw/zinc/20/70/07/463207007.db2.gz	XEZBSKPDPMDHAL-HXUWFJFHSA-N	1	1	349.438	2.077	40	30		EEEBMO
N#Cc1cccc(C[N@H+]2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)c1	ZINC000096202308	463207189	/nfs/dbraw/zinc/20/71/89/463207189.db2.gz	XEZBSKPDPMDHAL-FQEVSTJZSA-N	1	1	349.438	2.077	40	30		EEEBMO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1	ZINC000195530605	464072250	/nfs/dbraw/zinc/07/22/50/464072250.db2.gz	LJCCQWIUTCLMON-GOEBONIOSA-N	1	1	345.418	2.481	40	30		EEEBMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1	ZINC000195530605	464072256	/nfs/dbraw/zinc/07/22/56/464072256.db2.gz	LJCCQWIUTCLMON-GOEBONIOSA-N	1	1	345.418	2.481	40	30		EEEBMO
CCNC(NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)=[NH+]CC	ZINC000066243296	462866037	/nfs/dbraw/zinc/86/60/37/462866037.db2.gz	HKTFKFQPYXEVOP-HZPDHXFCSA-N	1	1	332.492	2.371	40	30		EEEBMO
N#Cc1cccc(N[C@H]2CO[C@@]3(CC[N@@H+](CC4CCOCC4)C3)C2)n1	ZINC000096047702	463151775	/nfs/dbraw/zinc/15/17/75/463151775.db2.gz	BQLAIDRJUWJSRV-MJGOQNOKSA-N	1	1	342.443	2.025	40	30		EEEBMO
COc1cc(C[N@H+]2CC[C@@H](Nc3nccnc3C#N)C2)cc(OC)c1	ZINC000088751442	462644186	/nfs/dbraw/zinc/64/41/86/462644186.db2.gz	ZXBLVXHXGKBDNA-CQSZACIVSA-N	1	1	339.399	2.052	40	30		EEEBMO
C[C@H](C1CC1)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000091534368	462885963	/nfs/dbraw/zinc/88/59/63/462885963.db2.gz	KBGXCZZEGKPGQH-APWZRJJASA-N	1	1	340.471	2.126	40	30		EEEBMO
Cn1cncc1C[N@H+]1CC[C@@]2(C[C@H](Nc3cccc(C#N)c3)CO2)C1	ZINC000096218884	463216792	/nfs/dbraw/zinc/21/67/92/463216792.db2.gz	QMEPEBBTVBUHJS-PKOBYXMFSA-N	1	1	337.427	2.137	40	30		EEEBMO
Cc1nnsc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000330222257	465574697	/nfs/dbraw/zinc/57/46/97/465574697.db2.gz	MFVAQYQVOMSIJD-TZMCWYRMSA-N	1	1	335.477	2.209	40	30		EEEBMO
CC(C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(C#N)cc1)C2	ZINC000585103635	468970913	/nfs/dbraw/zinc/97/09/13/468970913.db2.gz	DZDDNYWLHYIKNY-LJQANCHMSA-N	1	1	327.428	2.018	40	30		EEEBMO
CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000058180491	463548714	/nfs/dbraw/zinc/54/87/14/463548714.db2.gz	HTZYGKNDHFYSAL-INIZCTEOSA-N	1	1	335.473	2.491	40	30		EEEBMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1	ZINC000195530606	464072299	/nfs/dbraw/zinc/07/22/99/464072299.db2.gz	LJCCQWIUTCLMON-GDBMZVCRSA-N	1	1	345.418	2.481	40	30		EEEBMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1	ZINC000195530606	464072302	/nfs/dbraw/zinc/07/23/02/464072302.db2.gz	LJCCQWIUTCLMON-GDBMZVCRSA-N	1	1	345.418	2.481	40	30		EEEBMO
Cn1cc(C[N@H+]2CC[C@@]3(C[C@@H](Nc4cccc(C#N)c4)CO3)C2)cn1	ZINC000107225964	219754327	/nfs/dbraw/zinc/75/43/27/219754327.db2.gz	DYIABHPWKCEFNE-RTBURBONSA-N	1	1	337.427	2.137	40	30		EEEBMO
CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](N2CCNC2=O)C1	ZINC000095425729	218367651	/nfs/dbraw/zinc/36/76/51/218367651.db2.gz	BEVLVGUQCAKCKU-MRXNPFEDSA-N	1	1	326.444	2.477	40	30		EEEBMO
COCCN1CC[C@]2(CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000108535219	463611479	/nfs/dbraw/zinc/61/14/79/463611479.db2.gz	IUWPGANWXVTIHL-HXUWFJFHSA-N	1	1	341.455	2.409	40	30		EEEBMO
C[C@H]1C[C@@H](OC[C@H](S)C[NH+]2CCN(CO)CC2)CC(C)(C)C1	ZINC000022872271	524822988	/nfs/dbraw/zinc/82/29/88/524822988.db2.gz	ICRJMXAQCCNBSP-ARFHVFGLSA-N	1	1	330.538	2.084	40	30		EEEBMO
C=CCc1ccc(OC[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c(OC)c1	ZINC000033328765	519139967	/nfs/dbraw/zinc/13/99/67/519139967.db2.gz	KDUGLTZTMQVDGV-INMHGKMJSA-N	1	1	335.444	2.273	40	30		EEEBMO
N#Cc1cc(C(F)(F)F)ccc1N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000096484300	274919078	/nfs/dbraw/zinc/91/90/78/274919078.db2.gz	RYLSRBOKOPKREK-CQSZACIVSA-N	1	1	325.334	2.488	40	30		EEEBMO
N#Cc1cccc(C(=O)N2CCn3cc(C[NH+]4CCCCC4)nc3C2)c1	ZINC000096197270	463202747	/nfs/dbraw/zinc/20/27/47/463202747.db2.gz	ZKULSQRVHKHWBB-UHFFFAOYSA-N	1	1	349.438	2.397	40	30		EEEBMO
CCOc1ccccc1C[N@@H+]1CCN(c2cc(C#N)ncn2)[C@@H](C)C1	ZINC000242100051	243009507	/nfs/dbraw/zinc/00/95/07/243009507.db2.gz	WDXQBSZWXNKMFW-HNNXBMFYSA-N	1	1	337.427	2.458	40	30		EEEBMO
CCOc1ccccc1C[N@H+]1CCN(c2cc(C#N)ncn2)[C@@H](C)C1	ZINC000242100051	243009513	/nfs/dbraw/zinc/00/95/13/243009513.db2.gz	WDXQBSZWXNKMFW-HNNXBMFYSA-N	1	1	337.427	2.458	40	30		EEEBMO
Cc1ccc2c(c1)[C@]1(C)C=C(CN3CC[NH+](C)CC3)C(=O)C[C@@H]1O2	ZINC000019364745	463018228	/nfs/dbraw/zinc/01/82/28/463018228.db2.gz	ZULLLCBLCVVHKZ-PMACEKPBSA-N	1	1	326.440	2.160	40	30		EEEBMO
N#Cc1cccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4nccs4)C3)C2)n1	ZINC000096047668	463151314	/nfs/dbraw/zinc/15/13/14/463151314.db2.gz	PYNPSNMPNJYAJW-PBHICJAKSA-N	1	1	341.440	2.255	40	30		EEEBMO
N#Cc1cccc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4nccs4)C3)C2)n1	ZINC000096047668	463151318	/nfs/dbraw/zinc/15/13/18/463151318.db2.gz	PYNPSNMPNJYAJW-PBHICJAKSA-N	1	1	341.440	2.255	40	30		EEEBMO
N#Cc1cnc(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c(Cl)c1	ZINC000079353709	463207868	/nfs/dbraw/zinc/20/78/68/463207868.db2.gz	VGOIVPRRUDGLOY-INIZCTEOSA-N	1	1	342.830	2.438	40	30		EEEBMO
CCOc1ccccc1C[N@@H+]1CCN(c2cnc(C#N)cn2)[C@H](C)C1	ZINC000225645300	464178063	/nfs/dbraw/zinc/17/80/63/464178063.db2.gz	HUCGSFXFALZQIE-OAHLLOKOSA-N	1	1	337.427	2.458	40	30		EEEBMO
CCOc1ccccc1C[N@H+]1CCN(c2cnc(C#N)cn2)[C@H](C)C1	ZINC000225645300	464178068	/nfs/dbraw/zinc/17/80/68/464178068.db2.gz	HUCGSFXFALZQIE-OAHLLOKOSA-N	1	1	337.427	2.458	40	30		EEEBMO
C[C@H](CO)[N@H+]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000241439853	464451452	/nfs/dbraw/zinc/45/14/52/464451452.db2.gz	NMUJBVAZRYVNJM-GFCCVEGCSA-N	1	1	327.350	2.470	40	30		EEEBMO
CC(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(C#N)cc1)C2	ZINC000585104686	468972171	/nfs/dbraw/zinc/97/21/71/468972171.db2.gz	QXSKYDGKHVZLPF-FQEVSTJZSA-N	1	1	341.455	2.265	40	30		EEEBMO
C[N@H+]1C[C@H]2[C@@H](C3=C(CC(C)(C)CC3=O)N2Cc2ccccc2)[C@@H](O)C1	ZINC000004273415	210158303	/nfs/dbraw/zinc/15/83/03/210158303.db2.gz	KOHMZZHVNVAGOM-XKGZKEIXSA-N	1	1	340.467	2.437	40	30		EEEBMO
N#Cc1ccc(N2C[C@@]3(CC[N@H+](C4CCOCC4)C3)CC2=O)cc1	ZINC000096077458	283172281	/nfs/dbraw/zinc/17/22/81/283172281.db2.gz	OOSWRDHFGRRXQT-IBGZPJMESA-N	1	1	325.412	2.166	40	30		EEEBMO
N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccnc(N)c2)CC1	ZINC000193323608	240109278	/nfs/dbraw/zinc/10/92/78/240109278.db2.gz	GGPGJPJQFVJTQB-UHFFFAOYSA-N	1	1	344.422	2.406	40	30		EEEBMO
C[C@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC000085468141	462549092	/nfs/dbraw/zinc/54/90/92/462549092.db2.gz	DQFAYTKSXNXKAG-INIZCTEOSA-N	1	1	340.471	2.046	40	30		EEEBMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)c1cccc(F)c1	ZINC000047032801	462737551	/nfs/dbraw/zinc/73/75/51/462737551.db2.gz	ZMELAYWEPAUNNB-KRWDZBQOSA-N	1	1	347.415	2.279	40	30		EEEBMO
C=CCN1CC[C@]2(C[N@H+]([C@H]3CCOC3)C[C@H]2c2ccccc2)C1=O	ZINC000096201901	463206564	/nfs/dbraw/zinc/20/65/64/463206564.db2.gz	HOJMSNCSGAGBQM-CMKODMSKSA-N	1	1	326.440	2.279	40	30		EEEBMO
Cc1ncc(C[N@H+]2CC[C@@H](Nc3nccnc3C#N)[C@H](C)C2)s1	ZINC000096419453	463250128	/nfs/dbraw/zinc/25/01/28/463250128.db2.gz	BOWLQIKOJRTRTF-BXUZGUMPSA-N	1	1	328.445	2.436	40	30		EEEBMO
CCN(CC)/C(CC(=O)C(C)(C)C)=[NH+]/CCCN1CCN(C)CC1	ZINC000104200945	219359375	/nfs/dbraw/zinc/35/93/75/219359375.db2.gz	IDEPOYYXPUJJHZ-CZIZESTLSA-N	1	1	338.540	2.370	40	30		EEEBMO
C=CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C#N)c3)CCC[C@]2(C(=O)[O-])C1	ZINC000096064227	463162416	/nfs/dbraw/zinc/16/24/16/463162416.db2.gz	OMCUTDDCGWDTKC-ICSRJNTNSA-N	1	1	339.439	2.343	40	30		EEEBMO
C=CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CCC[C@]2(C(=O)[O-])C1	ZINC000096064227	463162423	/nfs/dbraw/zinc/16/24/23/463162423.db2.gz	OMCUTDDCGWDTKC-ICSRJNTNSA-N	1	1	339.439	2.343	40	30		EEEBMO
C=CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CCC[C@]2(C(=O)[O-])C1	ZINC000096064227	463162426	/nfs/dbraw/zinc/16/24/26/463162426.db2.gz	OMCUTDDCGWDTKC-ICSRJNTNSA-N	1	1	339.439	2.343	40	30		EEEBMO
Cc1ccc(C#N)cc1NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000078550168	217072625	/nfs/dbraw/zinc/07/26/25/217072625.db2.gz	DCOWBEPIWDSKNT-INIZCTEOSA-N	1	1	328.416	2.195	40	30		EEEBMO
N#Cc1ccc(OC[C@]23COC[C@H]2C[N@@H+](Cc2ccoc2)C3)nc1	ZINC000096109092	463178354	/nfs/dbraw/zinc/17/83/54/463178354.db2.gz	QGVJFSKIRRLWJF-AEFFLSMTSA-N	1	1	325.368	2.074	40	30		EEEBMO
N#Cc1cccc(OC[C@@H]2CO[C@@H]3C[N@@H+](Cc4ccncc4)C[C@H]23)c1	ZINC000096209635	463214069	/nfs/dbraw/zinc/21/40/69/463214069.db2.gz	PCDGNNJTLFEATB-MISYRCLQSA-N	1	1	335.407	2.479	40	30		EEEBMO
Cn1nc(C[NH+]2CCCCC2)c2c1CN(C(=O)c1ccc(C#N)cc1)C2	ZINC000096259130	463229512	/nfs/dbraw/zinc/22/95/12/463229512.db2.gz	XIVZJBCJVIZCQS-UHFFFAOYSA-N	1	1	349.438	2.434	40	30		EEEBMO
CN1CC[N@@H+](C)C[C@H]1CNc1c(C#N)cnc2ccc(Cl)cc21	ZINC000096429465	463258955	/nfs/dbraw/zinc/25/89/55/463258955.db2.gz	CCSYRSRWDWUZNA-CQSZACIVSA-N	1	1	329.835	2.418	40	30		EEEBMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1cccc(C#N)c1	ZINC000189146110	464444544	/nfs/dbraw/zinc/44/45/44/464444544.db2.gz	SCXULBFIAFLYAI-HUUCEWRRSA-N	1	1	335.473	2.098	40	30		EEEBMO
C#CCNC(=O)C[C@@H]1CC[N@H+](Cc2ccc(OC)cc2O)C[C@@H]1CC	ZINC000008300198	518277277	/nfs/dbraw/zinc/27/72/77/518277277.db2.gz	UWGRJOXZUCJEEB-HOTGVXAUSA-N	1	1	344.455	2.388	40	30	biogenic,in-vitro	EEEBMO
Cn1cc(C2CCN(C([O-])=[NH+]C[C@@H]3CCCn4cc[nH+]c43)CC2)cn1	ZINC000329981929	465495618	/nfs/dbraw/zinc/49/56/18/465495618.db2.gz	OFOAQAVVKLHXHJ-HNNXBMFYSA-N	1	1	342.447	2.288	40	30		EEEBMO
Cn1cc(C2CCN(C([O-])=[NH+]C[C@H]3CCCn4cc[nH+]c43)CC2)cn1	ZINC000329981930	465495669	/nfs/dbraw/zinc/49/56/69/465495669.db2.gz	OFOAQAVVKLHXHJ-OAHLLOKOSA-N	1	1	342.447	2.288	40	30		EEEBMO
C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1nccn1C(F)F	ZINC000331311459	466027557	/nfs/dbraw/zinc/02/75/57/466027557.db2.gz	GWPSRFUJZJTFDI-NSHDSACASA-N	1	1	329.395	2.402	40	30		EEEBMO
N#Cc1ccc2[nH]c(CO[C@H]3C[N@@H+](C4CCOCC4)C[C@H]3F)nc2c1	ZINC000096112288	463180126	/nfs/dbraw/zinc/18/01/26/463180126.db2.gz	ANHAAGFWRVPBII-PBHICJAKSA-N	1	1	344.390	2.152	40	30	biogenic,in-vitro	EEEBMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C	ZINC000253421238	465009467	/nfs/dbraw/zinc/00/94/67/465009467.db2.gz	SJMFPCANFRRJKB-WZGPROSRSA-N	1	1	343.471	2.389	40	30		EEEBMO
Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000190312252	533730245	/nfs/dbraw/zinc/73/02/45/533730245.db2.gz	CCSYZFUMVGZBFQ-HNNXBMFYSA-N	1	1	328.416	2.053	40	30		EEEBMO
CC1CC[NH+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1	ZINC000078979614	217163239	/nfs/dbraw/zinc/16/32/39/217163239.db2.gz	OAALPYNANUUZTE-UHFFFAOYSA-N	1	1	326.400	2.012	40	30		EEEBMO
C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000096448413	463272231	/nfs/dbraw/zinc/27/22/31/463272231.db2.gz	ZJGHUXRTLFXBMS-BBWFWOEESA-N	1	1	348.468	2.077	40	30		EEEBMO
C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000096448413	463272233	/nfs/dbraw/zinc/27/22/33/463272233.db2.gz	ZJGHUXRTLFXBMS-BBWFWOEESA-N	1	1	348.468	2.077	40	30		EEEBMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C#Cc1ccccc1	ZINC000188087904	464196644	/nfs/dbraw/zinc/19/66/44/464196644.db2.gz	SZKIXHZJJBDAFG-JOCHJYFZSA-N	1	1	348.446	2.134	40	30		EEEBMO
C[C@@H](NC(=O)c1csc(-c2cnn(C)c2)n1)C1=CC[N@@H+](C)CC1	ZINC000329523185	465362122	/nfs/dbraw/zinc/36/21/22/465362122.db2.gz	RMIMXQJXPKGMKK-LLVKDONJSA-N	1	1	331.445	2.499	40	30		EEEBMO
CC(C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(C#N)cc1)C2	ZINC000585103616	468970077	/nfs/dbraw/zinc/97/00/77/468970077.db2.gz	DZDDNYWLHYIKNY-IBGZPJMESA-N	1	1	327.428	2.018	40	30		EEEBMO
C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	ZINC000096448411	463271863	/nfs/dbraw/zinc/27/18/63/463271863.db2.gz	ZJGHUXRTLFXBMS-ZACQAIPSSA-N	1	1	348.468	2.077	40	30		EEEBMO
C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	ZINC000096448411	463271866	/nfs/dbraw/zinc/27/18/66/463271866.db2.gz	ZJGHUXRTLFXBMS-ZACQAIPSSA-N	1	1	348.468	2.077	40	30		EEEBMO
CC(=O)N1CCC([N@H+]2CC[C@H](c3nc4cc(C#N)ccc4[nH]3)C2)CC1	ZINC000035446873	213029329	/nfs/dbraw/zinc/02/93/29/213029329.db2.gz	AJWDSNGZBBYLSG-HNNXBMFYSA-N	1	1	337.427	2.235	40	30	biogenic,in-vitro	EEEBMO
CC(=O)N1CCC([N@@H+]2CC[C@H](c3nc4ccc(C#N)cc4[nH]3)C2)CC1	ZINC000035446873	213029331	/nfs/dbraw/zinc/02/93/31/213029331.db2.gz	AJWDSNGZBBYLSG-HNNXBMFYSA-N	1	1	337.427	2.235	40	30	biogenic,in-vitro	EEEBMO
CC(=O)N1CCC([N@H+]2CC[C@H](c3nc4ccc(C#N)cc4[nH]3)C2)CC1	ZINC000035446873	213029333	/nfs/dbraw/zinc/02/93/33/213029333.db2.gz	AJWDSNGZBBYLSG-HNNXBMFYSA-N	1	1	337.427	2.235	40	30	biogenic,in-vitro	EEEBMO
N#CCSCC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1	ZINC000194743142	463920662	/nfs/dbraw/zinc/92/06/62/463920662.db2.gz	HBDVNCNTWKGTSJ-UHFFFAOYSA-N	1	1	339.411	2.302	40	30		EEEBMO
C[C@H](NC(=O)c1csc(-c2cnn(C)c2)n1)C1=CC[N@@H+](C)CC1	ZINC000329523187	465362297	/nfs/dbraw/zinc/36/22/97/465362297.db2.gz	RMIMXQJXPKGMKK-NSHDSACASA-N	1	1	331.445	2.499	40	30		EEEBMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccccc2SC)CC1	ZINC000195571810	464078708	/nfs/dbraw/zinc/07/87/08/464078708.db2.gz	IAOHSHNJUPTYGR-UHFFFAOYSA-N	1	1	326.487	2.337	40	30		EEEBMO
N#Cc1cccc(N[C@@H]2CO[C@@]3(CC[N@@H+](Cc4ccncc4)C3)C2)n1	ZINC000096047687	463151364	/nfs/dbraw/zinc/15/13/64/463151364.db2.gz	UTBCJBAQCXVQNV-HKUYNNGSSA-N	1	1	335.411	2.194	40	30		EEEBMO
C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCO3)CC[C@]2(c2ccccc2)C1	ZINC000096083268	463170761	/nfs/dbraw/zinc/17/07/61/463170761.db2.gz	RPRCGOWIULOATA-QKNQBKEWSA-N	1	1	340.467	2.454	40	30		EEEBMO
C[N@H+]1C[C@@H](C(=O)N2CCC(C#N)CC2)[C@@H]2COc3ccccc3[C@@H]21	ZINC001772595856	1178867588	/nfs/dbraw/zinc/86/75/88/1178867588.db2.gz	OSZQAGOUUDOYLT-RYRKJORJSA-N	1	1	325.412	2.060	40	30		EEEBMO