smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)C/C=C(/COC[C@H](O)C[NH+](CC)CC)[Si](C)(CC)CC	ZINC000195805992	241035723	/nfs/dbraw/zinc/03/57/23/241035723.db2.gz	WKAOETGTAYRYKD-ZJYZBMPFSA-N	1	0	341.612	4.256	40	30		EIEBRO
C#C[C@]1(O)[C@H]2[C@@H](c3ccccc3)[N@@H+](C)[C@H](c3ccccc3)[C@]23CCC[C@H]13	ZINC000226043051	242087797	/nfs/dbraw/zinc/08/77/97/242087797.db2.gz	XRCHLKKSTVBVGS-ZRNHHAHNSA-N	1	0	343.470	4.195	40	30		EIEBRO
CCCCCCCCCCCC[NH2+]CC(=O)N(CCC#N)CCC#N	ZINC000100932699	204000518	/nfs/dbraw/zinc/00/05/18/204000518.db2.gz	DBGPMFWNUMIOHN-UHFFFAOYSA-N	1	0	348.535	4.153	40	30		EIEBRO
CC[NH+](CC)CCOC(=O)[C@@](S)(c1ccccc1)C1CCCCC1	ZINC000004809399	520691797	/nfs/dbraw/zinc/69/17/97/520691797.db2.gz	VVXIYNUDHFDGOA-HXUWFJFHSA-N	1	0	349.540	4.277	40	30		EIEBRO
C=CCOc1c(Br)cc(C[NH2+]CCCCC)cc1OC	ZINC000007261227	564070856	/nfs/dbraw/zinc/07/08/56/564070856.db2.gz	VBUHGNHBDXNZTI-UHFFFAOYSA-N	1	0	342.277	4.302	40	30		EIEBRO
CC1(C)CC(=O)C2=C(Nc3ccccc3)N[C@H]3CCCC[C@H]3[NH+]=C2C1	ZINC000021123146	257856007	/nfs/dbraw/zinc/85/60/07/257856007.db2.gz	VQNKQNJSFVYCFG-CVEARBPZSA-N	1	0	337.467	4.055	40	30		EIEBRO
CCCCCCCCCCCC[NH2+]CCC[NH2+][C@H](C)CC(=O)[O-]	ZINC000008214377	563623533	/nfs/dbraw/zinc/62/35/33/563623533.db2.gz	KRGUCURBMCFAOW-GOSISDBHSA-N	1	0	328.541	4.340	40	30	in-man	EIEBRO
CC(C)c1ccc([C@@H]2CC(=O)C3=CN[C@H]4CCCC[C@H]4[NH+]=C3C2)cc1	ZINC000035999506	563642977	/nfs/dbraw/zinc/64/29/77/563642977.db2.gz	WGTNDBJFAOBDBF-YSIASYRMSA-N	1	0	336.479	4.496	40	30		EIEBRO
C[N+]1(C)C/C(=C\c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1	ZINC000017197007	563840233	/nfs/dbraw/zinc/84/02/33/563840233.db2.gz	DYXPKMWPWIBBRR-JYFOCSDGSA-N	1	0	340.393	4.091	40	30		EIEBRO
C=CC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1	ZINC000008470236	564072434	/nfs/dbraw/zinc/07/24/34/564072434.db2.gz	PPPSAWJBINFYRA-UHFFFAOYSA-N	1	0	335.806	4.342	40	30		EIEBRO
C=CC[N+]1(CCOC(=O)[C@@H](c2ccccc2)[C@@H]2C=CCC2)CCCC1	ZINC000001712597	564074739	/nfs/dbraw/zinc/07/47/39/564074739.db2.gz	JGKCDBJFFZMFPO-RTWAWAEBSA-N	1	0	340.487	4.076	40	30		EIEBRO
C=CCOc1c(Cl)cc(C[NH2+]CCc2ccccc2F)cc1OC	ZINC000022074600	519003327	/nfs/dbraw/zinc/00/33/27/519003327.db2.gz	PZQBFYXTEWVKDE-UHFFFAOYSA-N	1	0	349.833	4.385	40	30		EIEBRO
Cc1ccc[n+](CC(=O)[C@@H]2CC[C@H]3C[C@@H]4CCCC[C@@H]4C[C@@H]3C2)c1	ZINC000005734893	524102759	/nfs/dbraw/zinc/10/27/59/524102759.db2.gz	ONRJPHITCTVEJS-QGLKVJOYSA-N	1	0	326.504	4.484	40	30		EIEBRO
C#C[C@@]1([NH+](C)C)CC[C@H]2[C@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C	ZINC000004946148	210335750	/nfs/dbraw/zinc/33/57/50/210335750.db2.gz	XJWYLROLZBKASE-OOYIDZMOSA-N	1	0	337.507	4.485	40	30		EIEBRO
C[C@H]([NH2+]Cc1cc(Br)ccc1OCC#N)c1ccccc1	ZINC000016576942	525427764	/nfs/dbraw/zinc/42/77/64/525427764.db2.gz	BHBAOFHXNZBUKO-ZDUSSCGKSA-N	1	0	345.240	4.202	40	30		EIEBRO
C[C@@H]([NH2+]Cc1cc(Br)ccc1OCC#N)c1ccccc1	ZINC000016576940	525511904	/nfs/dbraw/zinc/51/19/04/525511904.db2.gz	BHBAOFHXNZBUKO-CYBMUJFWSA-N	1	0	345.240	4.202	40	30		EIEBRO
Cc1cc(N2CCCC2)ccc1/C=[NH+]/OCc1cccc([N+](=O)[O-])c1	ZINC000408588701	563487171	/nfs/dbraw/zinc/48/71/71/563487171.db2.gz	CHWJAVPECOMEDI-DEDYPNTBSA-N	1	0	339.395	4.054	40	30		EIEBRO
Cc1cc(NN=Cc2ccc(Cl)cc2)c2cc3c(cc2[nH+]1)OCO3	ZINC000031769264	202209957	/nfs/dbraw/zinc/20/99/57/202209957.db2.gz	HVPGFGXSGHZPGN-UKWGHVSLSA-N	1	0	339.782	4.371	40	30		EIEBRO
Cc1cc2ccccc2c[n+]1CC(=O)c1ccc(Br)cc1	ZINC000001594039	563395379	/nfs/dbraw/zinc/39/53/79/563395379.db2.gz	DEZBUKPXYYFQJS-UHFFFAOYSA-N	1	0	341.228	4.081	40	30		EIEBRO
CC(C=C(N=NC(N)=[NH2+])c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000008648966	201755834	/nfs/dbraw/zinc/75/58/34/201755834.db2.gz	QCOPCGAJEICCHM-QMLFAMFSSA-N	1	0	347.249	4.284	40	30		EIEBRO
C#C[C@@]1(O)[C@H]2[C@@H](c3ccccc3)[N@@H+](C)[C@H](c3ccccc3)[C@]23CCC[C@H]13	ZINC000226043064	205108827	/nfs/dbraw/zinc/10/88/27/205108827.db2.gz	XRCHLKKSTVBVGS-DSWIYJMJSA-N	1	0	343.470	4.195	40	30		EIEBRO
O=C(OC1(C#CC[NH+]2CCCCC2)CCCCC1)c1ccccc1	ZINC000000123383	563995868	/nfs/dbraw/zinc/99/58/68/563995868.db2.gz	IDXAAFHFSHXQDR-UHFFFAOYSA-N	1	0	325.452	4.036	40	30		EIEBRO
CCCCCCCCNC(=S)N1CCN(Cc2ccccc2)CC1	ZINC000100339504	206238551	/nfs/dbraw/zinc/23/85/51/206238551.db2.gz	RUAZUVPVHZCFSD-UHFFFAOYSA-N	1	0	347.572	4.039	40	30		EIEBRO
C=C[C@H](C[NH+]1CCCCC1)OC(=O)C(c1ccccc1)c1ccccc1	ZINC000004747907	519300997	/nfs/dbraw/zinc/30/09/97/519300997.db2.gz	NYKYETFDYULDMA-OAQYLSRUSA-N	1	0	349.474	4.402	40	30		EIEBRO
CCCCCNc1ccc(C#N)c(OCC[N@@H+]2CCCC[C@H]2C)c1	ZINC000004522451	563757261	/nfs/dbraw/zinc/75/72/61/563757261.db2.gz	GEBPRIZEKVVPEZ-QGZVFWFLSA-N	1	0	329.488	4.414	40	30		EIEBRO
C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2)C1	ZINC000038849883	563922385	/nfs/dbraw/zinc/92/23/85/563922385.db2.gz	KDXZYMGMODAHAM-QGZVFWFLSA-N	1	0	347.462	4.237	40	30		EIEBRO
C=CC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1cccc(C)c1C)C2	ZINC000004857196	564005417	/nfs/dbraw/zinc/00/54/17/564005417.db2.gz	PZFHMZZFEJRUSX-AYHJJNSGSA-N	1	0	343.540	4.161	40	30		EIEBRO
C=CCOc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1OC	ZINC000008471091	564072432	/nfs/dbraw/zinc/07/24/32/564072432.db2.gz	BKXCOYLDEANHHU-UHFFFAOYSA-N	1	0	327.468	4.174	40	30		EIEBRO
C[NH+](C)CCC[C@@]1(c2ccc(Cl)cc2)OCc2cc(C#N)ccc21	ZINC000022054330	202078811	/nfs/dbraw/zinc/07/88/11/202078811.db2.gz	HYIJPACNNYCMRP-FQEVSTJZSA-N	1	0	340.854	4.327	40	30	in-vitro	EIEBRO
Cc1cc(N2CCCC2)c(C)cc1/C=[NH+]/OCc1ccccc1C#N	ZINC000408593518	563493554	/nfs/dbraw/zinc/49/35/54/563493554.db2.gz	AJLZWONJLVQDRY-OEAKJJBVSA-N	1	0	333.435	4.326	40	30		EIEBRO
C(=NNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc2c(c1)OCO2	ZINC000005594106	563541731	/nfs/dbraw/zinc/54/17/31/563541731.db2.gz	HOIYGEMGNXZXOH-WSDLNYQXSA-N	1	0	345.402	4.288	40	30		EIEBRO
CC1(C)CC(=O)C2=C(C1)O[C@@]1([NH2+]Cc3ccccc3)CCC[C@@H]2C1	ZINC000068564704	563963240	/nfs/dbraw/zinc/96/32/40/563963240.db2.gz	WKUBPYDMKORRSH-IERDGZPVSA-N	1	0	325.452	4.336	40	30		EIEBRO
CCCCCCCCCCCC(=O)OCCOCC[N+](C)(C)C	ZINC000100923833	563982795	/nfs/dbraw/zinc/98/27/95/563982795.db2.gz	HVHRQSHHSPQTLU-UHFFFAOYSA-N	1	0	330.533	4.173	40	30		EIEBRO
COc1ccc(C=NNc2cc(C)[nH+]c3ccc(C)cc23)cc1OC	ZINC000005006953	564005653	/nfs/dbraw/zinc/00/56/53/564005653.db2.gz	RISYFLMBYVICGN-CIAFOILYSA-N	1	0	335.407	4.315	40	30		EIEBRO
N#Cc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccccc4Cl)C3)nc2c1	ZINC000035446831	564083558	/nfs/dbraw/zinc/08/35/58/564083558.db2.gz	DTZFRIKHCNUTEA-HNNXBMFYSA-N	1	0	336.826	4.077	40	30	biogenic,in-vitro	EIEBRO
C=CC[N+]1(CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCC2)CCCC1	ZINC000001712599	209785284	/nfs/dbraw/zinc/78/52/84/209785284.db2.gz	JGKCDBJFFZMFPO-SFTDATJTSA-N	1	0	340.487	4.076	40	30		EIEBRO
O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCCCC2)c1ccccc1	ZINC000027028148	258005324	/nfs/dbraw/zinc/00/53/24/258005324.db2.gz	HNHARXHXQWROCQ-UHFFFAOYSA-N	1	0	349.429	4.191	40	30		EIEBRO
[NH2+]=C(NC1CCCCC1)c1ccc(C(=O)OCC2CCCCC2)cc1	ZINC000001704869	526804960	/nfs/dbraw/zinc/80/49/60/526804960.db2.gz	AOMSGWSWYXYVJE-UHFFFAOYSA-N	1	0	342.483	4.462	40	30		EIEBRO
N#Cc1ccccc1NC(=O)C[NH+](C1CCCCC1)C1CCCCC1	ZINC000327296440	564133580	/nfs/dbraw/zinc/13/35/80/564133580.db2.gz	LQFULDMSHXQZCY-UHFFFAOYSA-N	1	0	339.483	4.464	40	30		EIEBRO
C#C[C@@]1(O)[C@H]2CCC[C@]23[C@H]1[C@@H](c1ccccc1)[N@@H+](C)[C@H]3c1ccccc1	ZINC000036644204	213107180	/nfs/dbraw/zinc/10/71/80/213107180.db2.gz	XRCHLKKSTVBVGS-PAXOCGFSSA-N	1	0	343.470	4.195	40	30		EIEBRO
C#C[C@@]1(O)[C@H]2CCC[C@]23[C@H]1[C@H](c1ccccc1)[N@@H+](C)[C@H]3c1ccccc1	ZINC000036644205	213106998	/nfs/dbraw/zinc/10/69/98/213106998.db2.gz	XRCHLKKSTVBVGS-FSDTYVLISA-N	1	0	343.470	4.195	40	30		EIEBRO
CCOc1ccc(C=NNc2cc(C)[nH+]c3ccc(OC)cc23)cc1	ZINC000005007008	210358933	/nfs/dbraw/zinc/35/89/33/210358933.db2.gz	KNBWAWPSSGCPJH-FYJGNVAPSA-N	1	0	335.407	4.397	40	30		EIEBRO
C#C[C@@]1([NH+](C)C)CC[C@H]2[C@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]21C	ZINC000004946149	210336261	/nfs/dbraw/zinc/33/62/61/210336261.db2.gz	XJWYLROLZBKASE-IACLWVNRSA-N	1	0	337.507	4.485	40	30		EIEBRO
CCN(CC)c1ccc(/C=[NH+]/OCc2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000408588465	563485930	/nfs/dbraw/zinc/48/59/30/563485930.db2.gz	BPJCNKNNRDWFPJ-DEDYPNTBSA-N	1	0	341.411	4.300	40	30		EIEBRO
Cc1cccc[n+]1CC(=O)N1c2ccccc2Sc2ccccc21	ZINC000004129516	563495797	/nfs/dbraw/zinc/49/57/97/563495797.db2.gz	FUBGQVCXNUFRPI-UHFFFAOYSA-N	1	0	333.436	4.112	40	30		EIEBRO
O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1[N@H+](CCc1ccccc1)Cc1ccccc1	ZINC000006927344	564015076	/nfs/dbraw/zinc/01/50/76/564015076.db2.gz	PSTFDYKKBTVVQV-JPKQVFOTSA-N	1	0	334.463	4.360	40	30		EIEBRO
CC1(C)CC(=O)C2=C(C1)O[C@]1([NH2+]Cc3ccccc3)CCC[C@H]2C1	ZINC000068564706	215318698	/nfs/dbraw/zinc/31/86/98/215318698.db2.gz	WKUBPYDMKORRSH-HRAATJIYSA-N	1	0	325.452	4.336	40	30		EIEBRO
CCCCCCCCCCCC[NH2+]CCC[NH2+][C@@H](C)CC(=O)[O-]	ZINC000072266940	216086931	/nfs/dbraw/zinc/08/69/31/216086931.db2.gz	KRGUCURBMCFAOW-SFHVURJKSA-N	1	0	328.541	4.340	40	30	in-man	EIEBRO
C=CC[N+](C)(C)C[C@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1	ZINC000226068994	242086944	/nfs/dbraw/zinc/08/69/44/242086944.db2.gz	ZACSJTYKIVDTAJ-IBGZPJMESA-N	1	0	348.551	4.403	40	30		EIEBRO
C=CCO[C@@H]1CC2(CC[NH+](CC3CC3)CC2)c2cc(OC)ccc21	ZINC000096241872	218714437	/nfs/dbraw/zinc/71/44/37/218714437.db2.gz	RSRUFZSSVUOXOC-HXUWFJFHSA-N	1	0	327.468	4.086	40	30		EIEBRO
C[C@H](C(=O)N1c2ccccc2Sc2ccccc21)[N+]1(C)CCCC1	ZINC000001999373	135656490	/nfs/dbraw/zinc/65/64/90/135656490.db2.gz	YKNNBQKAAWCISH-OAHLLOKOSA-N	1	0	339.484	4.445	40	30	in-man	EIEBRO
CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)C[N+](C)(C)Cc1ccccc1)C2	ZINC000005499928	520683338	/nfs/dbraw/zinc/68/33/38/520683338.db2.gz	OTIVBJHOCIYBBP-BBTUJRGHSA-N	1	0	330.492	4.021	40	30		EIEBRO
CC[NH+](CC)CC#C[C@@]1(C)CC[C@H]2[C@@H](O1)c1ccccc1OC2(C)C	ZINC000000526526	563997521	/nfs/dbraw/zinc/99/75/21/563997521.db2.gz	DOIWRONTGHFXHW-VCOUNFBDSA-N	1	0	341.495	4.429	40	30		EIEBRO
Brc1cc(/C=[NH+]/Cc2ccccc2)oc1N1CCCC1	ZINC000059678322	564050957	/nfs/dbraw/zinc/05/09/57/564050957.db2.gz	DLOZNGVKCBWXPU-LDADJPATSA-N	1	0	333.229	4.261	40	30		EIEBRO
OC(C#CC[NH+]1C2CCCC1CCC2)(c1ccccc1)c1ccccc1	ZINC000004559240	564070551	/nfs/dbraw/zinc/07/05/51/564070551.db2.gz	RABYOTWHKRTPHJ-UHFFFAOYSA-N	1	0	345.486	4.333	40	30		EIEBRO
C#C[C@@]1([NH+](C)C)CC[C@H]2[C@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]21C	ZINC000004946147	210336455	/nfs/dbraw/zinc/33/64/55/210336455.db2.gz	XJWYLROLZBKASE-BMXMUORJSA-N	1	0	337.507	4.485	40	30		EIEBRO
Cc1cccc([N+](C)(C)CC(=O)O[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)c1	ZINC000002292437	258049685	/nfs/dbraw/zinc/04/96/85/258049685.db2.gz	BSILEBYFERYZSV-BLIXFSHQSA-N	1	0	330.492	4.320	40	30		EIEBRO
C=CCOc1c(Cl)cc(C[NH2+]CCc2ccc(F)cc2)cc1OC	ZINC000022074602	519004720	/nfs/dbraw/zinc/00/47/20/519004720.db2.gz	DWTMCELIYHFGPT-UHFFFAOYSA-N	1	0	349.833	4.385	40	30		EIEBRO
C=CC[N+]1(CCOC(=O)[C@H](c2ccccc2)[C@@H]2C=CCC2)CCCC1	ZINC000001712598	519120436	/nfs/dbraw/zinc/12/04/36/519120436.db2.gz	JGKCDBJFFZMFPO-NHCUHLMSSA-N	1	0	340.487	4.076	40	30		EIEBRO
Cc1ccc[n+](CC(=O)[C@H]2CC[C@@H]3C[C@@H]4CCCC[C@@H]4C[C@@H]3C2)c1	ZINC000005734891	524103996	/nfs/dbraw/zinc/10/39/96/524103996.db2.gz	ONRJPHITCTVEJS-XIYVOTBMSA-N	1	0	326.504	4.484	40	30		EIEBRO
C[NH+]1CCC(N=Nc2nc(-c3ccc4ccccc4c3)cs2)CC1	ZINC000005234212	563664950	/nfs/dbraw/zinc/66/49/50/563664950.db2.gz	SULFBWNPNXFYBF-UHFFFAOYSA-N	1	0	336.464	4.457	40	30		EIEBRO
C=CCOc1c(Br)cc(C[NH2+]C2CCCC2)cc1OC	ZINC000008470071	564072442	/nfs/dbraw/zinc/07/24/42/564072442.db2.gz	JBMOUIWGBFCOKW-UHFFFAOYSA-N	1	0	340.261	4.055	40	30		EIEBRO
C=CCOc1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1	ZINC000010372044	564127820	/nfs/dbraw/zinc/12/78/20/564127820.db2.gz	CETIQBIMWKAHLQ-UHFFFAOYSA-N	1	0	336.435	4.100	40	30		EIEBRO
C#CCOc1ccc(/C=C/c2ccc3ccccc3[n+]2C)cc1OCC	ZINC000005017015	210361763	/nfs/dbraw/zinc/36/17/63/210361763.db2.gz	WHSAWTNVJVCETA-JLHYYAGUSA-N	1	0	344.434	4.245	40	30		EIEBRO
C#C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[NH+](C)C	ZINC000118924249	221204361	/nfs/dbraw/zinc/20/43/61/221204361.db2.gz	ZOWVLJRMRYFRHP-INACUINTSA-N	1	0	339.523	4.308	40	30		EIEBRO
Cc1ccc[n+](CC(=O)[C@H]2CC[C@H]3C[C@@H]4CCCC[C@@H]4C[C@@H]3C2)c1	ZINC000005734895	524104617	/nfs/dbraw/zinc/10/46/17/524104617.db2.gz	ONRJPHITCTVEJS-HGJUEJDCSA-N	1	0	326.504	4.484	40	30		EIEBRO
CC(=CC(O)(C(F)(F)Cl)C(F)(F)Cl)[NH2+]Nc1ccccc1	ZINC000005566109	563540012	/nfs/dbraw/zinc/54/00/12/563540012.db2.gz	YIDSSMPKFICQOR-UWVJOHFNSA-N	1	0	347.139	4.259	40	30		EIEBRO
COc1ccc2[nH+]c(C)cc(NN=Cc3ccc(Cl)cc3)c2c1	ZINC000005007001	210358786	/nfs/dbraw/zinc/35/87/86/210358786.db2.gz	RQKVSRJMCGIKFG-RGVLZGJSSA-N	1	0	325.799	4.073	40	30		EIEBRO
C#C[C@@]1([NH+](C)C)CC[C@H]2[C@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@@]21C	ZINC000004946150	210335657	/nfs/dbraw/zinc/33/56/57/210335657.db2.gz	XJWYLROLZBKASE-XZCBWCRCSA-N	1	0	337.507	4.485	40	30		EIEBRO
C=CCOc1c(Cl)cc(C[NH2+]Cc2ccc(F)cc2)cc1OC	ZINC000008470153	258017895	/nfs/dbraw/zinc/01/78/95/258017895.db2.gz	VKXITFJWBGZRIS-UHFFFAOYSA-N	1	0	335.806	4.342	40	30		EIEBRO
CCCCCCN1CCN(/C(=[NH+]/CC(C)C)c2ccccc2)CC1	ZINC000004215108	520078941	/nfs/dbraw/zinc/07/89/41/520078941.db2.gz	WRNQYBXJRPAGNS-QURGRASLSA-N	1	0	329.532	4.287	40	30	in-man	EIEBRO
Cc1cccc([N+](C)(C)CC(=O)O[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1	ZINC000002292438	564003811	/nfs/dbraw/zinc/00/38/11/564003811.db2.gz	BSILEBYFERYZSV-DJPFJPOOSA-N	1	0	330.492	4.320	40	30		EIEBRO
CC1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CC[NH+]3CCCC3)CC[C@@H]21	ZINC000004028193	210102975	/nfs/dbraw/zinc/10/29/75/210102975.db2.gz	JBOGVOUBSNYXLL-CZTZKLFOSA-N	1	0	339.479	4.183	40	30		EIEBRO
C=CC[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1	ZINC000008470471	258018100	/nfs/dbraw/zinc/01/81/00/258018100.db2.gz	NTQAEOJYKBRGQZ-UHFFFAOYSA-N	1	0	335.806	4.342	40	30		EIEBRO
Cc1cccc([N+](C)(C)CC(=O)O[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)c1	ZINC000002292436	258049566	/nfs/dbraw/zinc/04/95/66/258049566.db2.gz	BSILEBYFERYZSV-MMOPVJDHSA-N	1	0	330.492	4.320	40	30		EIEBRO
C=C[C@@H](C[NH+]1CCCCC1)OC(=O)C(c1ccccc1)c1ccccc1	ZINC000005853051	519295053	/nfs/dbraw/zinc/29/50/53/519295053.db2.gz	NYKYETFDYULDMA-NRFANRHFSA-N	1	0	349.474	4.402	40	30		EIEBRO
Cc1ccc(C(=O)C[n+]2ccc(Cc3ccc(Cl)cc3)cc2)cc1	ZINC000002684343	564025987	/nfs/dbraw/zinc/02/59/87/564025987.db2.gz	OEGIHWRKZDSTDL-UHFFFAOYSA-N	1	0	336.842	4.410	40	30		EIEBRO
CCOc1cc(C=NNc2cc(C)[nH+]c3ccc(C)cc23)ccc1O	ZINC000005006957	210358967	/nfs/dbraw/zinc/35/89/67/210358967.db2.gz	OWMKITNVFDMYFR-CIAFOILYSA-N	1	0	335.407	4.402	40	30		EIEBRO
CCCCCc1cc[n+](CC(=O)c2ccc(Br)cc2)cc1	ZINC000001664815	520320873	/nfs/dbraw/zinc/32/08/73/520320873.db2.gz	IVXQDBHACXTWAB-UHFFFAOYSA-N	1	0	347.276	4.352	40	30		EIEBRO
CC[NH+](CC)CCOC(=O)[C@](S)(c1ccccc1)C1CCCCC1	ZINC000005420168	520691470	/nfs/dbraw/zinc/69/14/70/520691470.db2.gz	VVXIYNUDHFDGOA-FQEVSTJZSA-N	1	0	349.540	4.277	40	30		EIEBRO
O/N=C1/[C@H]([N@H+](CCc2ccccc2)Cc2ccccc2)[C@@H]2CC[C@H]1C2	ZINC000006927343	563592024	/nfs/dbraw/zinc/59/20/24/563592024.db2.gz	PSTFDYKKBTVVQV-OFAWVNTQSA-N	1	0	334.463	4.360	40	30		EIEBRO
C[N+]1(C)C/C(=C\c2ccc(F)cc2)C(=O)/C(=C\c2ccc(F)cc2)C1	ZINC000017197005	563840221	/nfs/dbraw/zinc/84/02/21/563840221.db2.gz	DYXPKMWPWIBBRR-MJZABRMRSA-N	1	0	340.393	4.091	40	30		EIEBRO
CC1(C)CC(=O)C2=C(Nc3ccccc3)N[C@@H]3CCCC[C@@H]3[NH+]=C2C1	ZINC000021123156	564033653	/nfs/dbraw/zinc/03/36/53/564033653.db2.gz	VQNKQNJSFVYCFG-JKSUJKDBSA-N	1	0	337.467	4.055	40	30		EIEBRO
COc1ccc(C=NNc2cc(C)[nH+]c3ccc(C)cc23)c(OC)c1	ZINC000005006952	210359154	/nfs/dbraw/zinc/35/91/54/210359154.db2.gz	MFXAJPQMCYOPOU-CIAFOILYSA-N	1	0	335.407	4.315	40	30		EIEBRO
C=CC[N+]1(CCOC(=O)[C@H](c2ccccc2)[C@H]2C=CCC2)CCCC1	ZINC000001712600	519121156	/nfs/dbraw/zinc/12/11/56/519121156.db2.gz	JGKCDBJFFZMFPO-LEWJYISDSA-N	1	0	340.487	4.076	40	30		EIEBRO
Cc1cc(NN=Cc2ccc(Cl)cc2)c2cc3c(cc2[nH+]1)OCO3	ZINC000005552536	563539167	/nfs/dbraw/zinc/53/91/67/563539167.db2.gz	HVPGFGXSGHZPGN-AWQFTUOYSA-N	1	0	339.782	4.371	40	30		EIEBRO
C#C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1[NH+](C)C	ZINC000118924252	221204587	/nfs/dbraw/zinc/20/45/87/221204587.db2.gz	ZOWVLJRMRYFRHP-UDMLLNBBSA-N	1	0	339.523	4.308	40	30		EIEBRO
C#C[C@@]1(O)[C@@H]2CCC[C@@]23[C@@H]1[C@@H](c1ccccc1)[N@@H+](C)[C@@H]3c1ccccc1	ZINC000226043030	533277699	/nfs/dbraw/zinc/27/76/99/533277699.db2.gz	XRCHLKKSTVBVGS-QMOXEECBSA-N	1	0	343.470	4.195	40	30		EIEBRO
Cc1ccc[n+](CC(=O)[C@@H]2CC[C@@H]3C[C@@H]4CCCC[C@@H]4C[C@@H]3C2)c1	ZINC000005734890	524103594	/nfs/dbraw/zinc/10/35/94/524103594.db2.gz	ONRJPHITCTVEJS-SRHPJPHMSA-N	1	0	326.504	4.484	40	30		EIEBRO
CC[NH+](CC)CC#C[C@@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1OC2(C)C	ZINC000004028342	210103346	/nfs/dbraw/zinc/10/33/46/210103346.db2.gz	DOIWRONTGHFXHW-CBQOVEMMSA-N	1	0	341.495	4.429	40	30		EIEBRO
CCCCCCC[C@H](C)[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000104101778	520068461	/nfs/dbraw/zinc/06/84/61/520068461.db2.gz	DVIQWKPUKLPEKC-HNNXBMFYSA-N	1	0	336.432	4.090	40	30		EIEBRO
CC(C=C(N=NC(N)=[NH2+])c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000017109604	563836816	/nfs/dbraw/zinc/83/68/16/563836816.db2.gz	QCOPCGAJEICCHM-YYMYKZPXSA-N	1	0	347.249	4.074	40	30		EIEBRO
FC(F)(F)c1cccc(/[NH+]=C(/c2ccccc2)N2CCOCC2)c1	ZINC000000338121	563996851	/nfs/dbraw/zinc/99/68/51/563996851.db2.gz	RHBZWGJJZIFTSY-XLNRJJMWSA-N	1	0	334.341	4.116	40	30		EIEBRO
C=CCOc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1OCC	ZINC000008254475	519033620	/nfs/dbraw/zinc/03/36/20/519033620.db2.gz	SZPARVFQUZSIGQ-UHFFFAOYSA-N	1	0	329.415	4.122	40	30		EIEBRO
CC1(C)CC(=O)C2=C(Nc3ccccc3)N[C@@H]3CCCC[C@H]3[NH+]=C2C1	ZINC000021123153	564033663	/nfs/dbraw/zinc/03/36/63/564033663.db2.gz	VQNKQNJSFVYCFG-HZPDHXFCSA-N	1	0	337.467	4.055	40	30		EIEBRO
CC1(C)CC(=O)C2=C(Nc3ccccc3)N[C@H]3CCCC[C@@H]3[NH+]=C2C1	ZINC000021123149	564033666	/nfs/dbraw/zinc/03/36/66/564033666.db2.gz	VQNKQNJSFVYCFG-HOTGVXAUSA-N	1	0	337.467	4.055	40	30		EIEBRO
CC(C)c1ccc([C@@H]2CC(=O)C3=CN[C@@H]4CCCC[C@@H]4[NH+]=C3C2)cc1	ZINC000227106142	564118345	/nfs/dbraw/zinc/11/83/45/564118345.db2.gz	WGTNDBJFAOBDBF-SXLOBPIMSA-N	1	0	336.479	4.496	40	30		EIEBRO
CC[NH+](CC)CC#C[C@@]1(C)CC[C@H]2[C@H](O1)c1ccccc1OC2(C)C	ZINC000100744989	219105948	/nfs/dbraw/zinc/10/59/48/219105948.db2.gz	DOIWRONTGHFXHW-DWLFOUALSA-N	1	0	341.495	4.429	40	30		EIEBRO
C#C[C@]1(O)[C@@H]2CCC[C@@]23[C@@H]1[C@@H](c1ccccc1)[N@@H+](C)[C@@H]3c1ccccc1	ZINC000226043042	242087345	/nfs/dbraw/zinc/08/73/45/242087345.db2.gz	XRCHLKKSTVBVGS-YYTJJFCCSA-N	1	0	343.470	4.195	40	30		EIEBRO
CCc1ccc(C(=O)/C=C/[n+]2cccc(Cc3ccccc3)c2)cc1	ZINC000005197349	563522372	/nfs/dbraw/zinc/52/23/72/563522372.db2.gz	AOXJCQOFJTUNKQ-JQIJEIRASA-N	1	0	328.435	4.481	40	30		EIEBRO
CC(C=C(N=NC(N)=[NH2+])c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000017109606	563836880	/nfs/dbraw/zinc/83/68/80/563836880.db2.gz	QCOPCGAJEICCHM-LIVXRWSZSA-N	1	0	347.249	4.074	40	30		EIEBRO
C=C1CC2(CC[N+](Cc3ccccc3)(Cc3ccccc3)CC2)OC1=O	ZINC000001579302	564074698	/nfs/dbraw/zinc/07/46/98/564074698.db2.gz	FBVORFCEOVTPCM-UHFFFAOYSA-N	1	0	348.466	4.239	40	30		EIEBRO
C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(C(C)(C)C)cc1	ZINC000008300039	291004819	/nfs/dbraw/zinc/00/48/19/291004819.db2.gz	XMRWSUHUVBACJM-TXPKVOOTSA-N	1	0	341.499	4.002	40	30	biogenic,in-vitro	EIEBRO
C=CCc1cc(C[N@H+](C)Cc2cccc3ncccc23)cc(OC)c1O	ZINC000012191740	211315619	/nfs/dbraw/zinc/31/56/19/211315619.db2.gz	VXLDNXSTURWYBN-UHFFFAOYSA-N	1	0	348.446	4.310	40	30		EIEBRO
C=CC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1cc(C)cc(C)c1)C2	ZINC000004857201	210303400	/nfs/dbraw/zinc/30/34/00/210303400.db2.gz	UWUFHNAKFMCLQU-YQQQUEKLSA-N	1	0	343.540	4.161	40	30		EIEBRO
C#CC(c1ccccc1)(c1ccccc1)[n+]1ccn(Cc2ccccc2)c1	ZINC000255188015	518239417	/nfs/dbraw/zinc/23/94/17/518239417.db2.gz	IHCDFBKYCGDZBB-UHFFFAOYSA-N	1	0	349.457	4.249	40	30		EIEBRO
CCCCCCN1CCN(/C(=[NH+]\CC(C)C)c2ccccc2)CC1	ZINC000011677753	520078980	/nfs/dbraw/zinc/07/89/80/520078980.db2.gz	WRNQYBXJRPAGNS-DQRAZIAOSA-N	1	0	329.532	4.287	40	30	in-man	EIEBRO
C[C@@H](C(=O)N1c2ccccc2Sc2ccccc21)[N+]1(C)CCCC1	ZINC000001678354	563402331	/nfs/dbraw/zinc/40/23/31/563402331.db2.gz	YKNNBQKAAWCISH-HNNXBMFYSA-N	1	0	339.484	4.445	40	30	in-man	EIEBRO
O=C(C[n+]1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1	ZINC000003185497	563476002	/nfs/dbraw/zinc/47/60/02/563476002.db2.gz	XRKLVNZQPDEZGA-UHFFFAOYSA-N	1	0	331.420	4.134	40	30		EIEBRO
C[NH+](C)C[C@H]1CCCC/C1=N\OC(=O)c1ccc(Cl)c(Cl)c1	ZINC000017194612	211959362	/nfs/dbraw/zinc/95/93/62/211959362.db2.gz	MBOYDJXJNINBDM-WGBIJJAVSA-N	1	0	343.254	4.258	40	30		EIEBRO
COC(=O)c1ccc(C=NNc2cc(C)[nH+]c3c(C)cc(C)cc23)cc1	ZINC000005006987	210358843	/nfs/dbraw/zinc/35/88/43/210358843.db2.gz	XHJOXURTVGVPCK-WSDLNYQXSA-N	1	0	347.418	4.393	40	30		EIEBRO
COc1ccc(CC=C(N=Nc2ccccc2)[C@@H](C)C[NH+](C)C)cc1	ZINC000008652516	563634296	/nfs/dbraw/zinc/63/42/96/563634296.db2.gz	VDUAKXSYRLTBIT-YYSCWWQCSA-N	1	0	337.467	4.374	40	30		EIEBRO
Brc1cc(/C=[NH+]\C2CCCCC2)oc1N1CCCC1	ZINC000408850439	564007624	/nfs/dbraw/zinc/00/76/24/564007624.db2.gz	AETMOWGQUZTISS-BOPFTXTBSA-N	1	0	325.250	4.394	40	30		EIEBRO
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C[N+]#N	ZINC000004104854	210120807	/nfs/dbraw/zinc/12/08/07/210120807.db2.gz	SWWDJUPGDNKHJJ-VTBMCCKRSA-N	1	0	345.507	4.428	40	30	biogenic,in-vitro	EIEBRO
C=CCOc1c(Cl)cc(C[NH2+]CCc2ccccc2)cc1OC	ZINC000022074312	212275469	/nfs/dbraw/zinc/27/54/69/212275469.db2.gz	PIXDKHYGDDOATN-UHFFFAOYSA-N	1	0	331.843	4.246	40	30		EIEBRO
COc1ccc(CC=C(N=Nc2ccccc2)[C@@H](C)C[NH+](C)C)cc1	ZINC000005759503	523430293	/nfs/dbraw/zinc/43/02/93/523430293.db2.gz	VDUAKXSYRLTBIT-KBNYPJDNSA-N	1	0	337.467	4.374	40	30		EIEBRO
CCCCCCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1	ZINC000102568129	219211475	/nfs/dbraw/zinc/21/14/75/219211475.db2.gz	KEZZDKKDJTYBQO-UHFFFAOYSA-N	1	0	334.504	4.040	40	30		EIEBRO
C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2)C1	ZINC000038849884	213228886	/nfs/dbraw/zinc/22/88/86/213228886.db2.gz	KDXZYMGMODAHAM-KRWDZBQOSA-N	1	0	347.462	4.237	40	30		EIEBRO
C#C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[NH+](C)C	ZINC000118924247	221204281	/nfs/dbraw/zinc/20/42/81/221204281.db2.gz	ZOWVLJRMRYFRHP-GLMUNCEMSA-N	1	0	339.523	4.308	40	30		EIEBRO
C=CC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1	ZINC000006855856	518953784	/nfs/dbraw/zinc/95/37/84/518953784.db2.gz	SDXPCTQUGJUYPJ-UHFFFAOYSA-N	1	0	332.241	4.304	40	30		EIEBRO
C=CCOc1ccc(C[NH2+]CCc2ccccc2F)cc1OCC	ZINC000022074596	519034309	/nfs/dbraw/zinc/03/43/09/519034309.db2.gz	NGNMYABXUVRPHR-UHFFFAOYSA-N	1	0	329.415	4.122	40	30		EIEBRO
Cc1c(C)c(N2CCCC2)ccc1/C=[NH+]/OCc1ccccc1C#N	ZINC000408596365	563494767	/nfs/dbraw/zinc/49/47/67/563494767.db2.gz	RTHHJHRVXHWICY-OEAKJJBVSA-N	1	0	333.435	4.326	40	30		EIEBRO
C[NH+](C)C[C@@H]1CCCC/C1=N\OC(=O)c1ccc(Cl)c(Cl)c1	ZINC000016953394	563826813	/nfs/dbraw/zinc/82/68/13/563826813.db2.gz	MBOYDJXJNINBDM-OGAOFSLMSA-N	1	0	343.254	4.258	40	30		EIEBRO
C=CC[NH+]1CCC2(CC1)C[C@H](Nc1cccnc1)c1ccccc1O2	ZINC000096079802	564066520	/nfs/dbraw/zinc/06/65/20/564066520.db2.gz	VCORJYJDMDHFCJ-IBGZPJMESA-N	1	0	335.451	4.038	40	30		EIEBRO
C[C@@H]1CCC[C@@H](C)[NH+]1CC#C[C@@](O)(c1ccccc1)C1CCCC1	ZINC000096194504	564145991	/nfs/dbraw/zinc/14/59/91/564145991.db2.gz	ATYQNPRNSQFWAE-WOIUINJBSA-N	1	0	325.496	4.331	40	30		EIEBRO
C=C1[C@@H]2CC[C@]3(CC[C@H]4[C@]5(CCC[C@]4(C)C[N@@H+](CC)C5)[C@H]3C2)[C@H]1O	ZINC000005734934	518669394	/nfs/dbraw/zinc/66/93/94/518669394.db2.gz	AHLMTXKXKINJFW-NGEYSQDSSA-N	1	0	329.528	4.242	40	30		EIEBRO
O=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1ccccc1Cl	ZINC000102945344	219242198	/nfs/dbraw/zinc/24/21/98/219242198.db2.gz	NLSQBLPSANHUBQ-NMWGTECJSA-N	1	0	347.805	4.225	40	30		EIEBRO
C=CC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1	ZINC000008471716	258017902	/nfs/dbraw/zinc/01/79/02/258017902.db2.gz	PAGNOGXWXQLUIV-UHFFFAOYSA-N	1	0	335.806	4.342	40	30		EIEBRO
COC(=O)C(C)(C)C#C/C=C/C[N@H+](C)Cc1cccc2ccccc21	ZINC000022054126	522749846	/nfs/dbraw/zinc/74/98/46/522749846.db2.gz	WMUIXNIIZJVJPG-WEVVVXLNSA-N	1	0	335.447	4.030	40	30	in-vitro	EIEBRO
COc1ccc(CC=C(N=Nc2ccccc2)[C@@H](C)C[NH+](C)C)cc1	ZINC000006437150	523383102	/nfs/dbraw/zinc/38/31/02/523383102.db2.gz	VDUAKXSYRLTBIT-GKGQZOAWSA-N	1	0	337.467	4.374	40	30		EIEBRO
Cc1cc(N2CCCCC2)ccc1/C=[NH+]/OCc1ccccc1C#N	ZINC000408595279	563494187	/nfs/dbraw/zinc/49/41/87/563494187.db2.gz	LUEXQBYLYNDLMZ-HZHRSRAPSA-N	1	0	333.435	4.408	40	30		EIEBRO
C[NH+](C)C[C@@H]1CCCC/C1=N/OC(=O)c1ccc(Cl)c(Cl)c1	ZINC000005888137	563553343	/nfs/dbraw/zinc/55/33/43/563553343.db2.gz	MBOYDJXJNINBDM-IBPDABBASA-N	1	0	343.254	4.258	40	30		EIEBRO
C=CC[NH+]1CCC2(CC1)C[C@@H](Nc1cccnc1)c1ccccc1O2	ZINC000096079803	564066495	/nfs/dbraw/zinc/06/64/95/564066495.db2.gz	VCORJYJDMDHFCJ-LJQANCHMSA-N	1	0	335.451	4.038	40	30		EIEBRO
C=CCO[C@H]1CC2(CC[NH+](CC3CC3)CC2)c2cc(OC)ccc21	ZINC000096241871	564066534	/nfs/dbraw/zinc/06/65/34/564066534.db2.gz	RSRUFZSSVUOXOC-FQEVSTJZSA-N	1	0	327.468	4.086	40	30		EIEBRO
CCc1ccc(C(=O)C[n+]2c(C)n(C(F)F)c3ccccc32)cc1	ZINC000026442127	564082190	/nfs/dbraw/zinc/08/21/90/564082190.db2.gz	VBYPDAGOAYLFID-UHFFFAOYSA-N	1	0	329.370	4.078	40	30		EIEBRO
CCCCCCCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1	ZINC000102561844	219210170	/nfs/dbraw/zinc/21/01/70/219210170.db2.gz	SUZXPULLQINTTN-UHFFFAOYSA-N	1	0	348.531	4.430	40	30		EIEBRO
C[NH+](C)C[C@H]1CCCC/C1=N/OC(=O)c1ccc(Cl)c(Cl)c1	ZINC000102950708	219243321	/nfs/dbraw/zinc/24/33/21/219243321.db2.gz	MBOYDJXJNINBDM-RILUTCLRSA-N	1	0	343.254	4.258	40	30		EIEBRO
C[N+]1(C)C/C(=C/c2ccc(F)cc2)C(=O)/C(=C\c2ccc(F)cc2)C1	ZINC000016957351	211943419	/nfs/dbraw/zinc/94/34/19/211943419.db2.gz	DYXPKMWPWIBBRR-WHYMJUELSA-N	1	0	340.393	4.091	40	30		EIEBRO
COCCN1Cc2cc3cc(C)ccc3nc2S/C1=N/CC(C)C	ZINC000004858681	210303283	/nfs/dbraw/zinc/30/32/83/210303283.db2.gz	XRUXPVUVOLUWFI-FMQUCBEESA-N	1	0	343.496	4.109	40	30		EIEBRO
CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)C[N+](C)(C)Cc1ccccc1)C2	ZINC000004350146	520684673	/nfs/dbraw/zinc/68/46/73/520684673.db2.gz	OTIVBJHOCIYBBP-WAOWUJCRSA-N	1	0	330.492	4.021	40	30		EIEBRO
CC(C)c1ccc([C@@H]2CC(=O)C3=CN[C@H]4CCCC[C@@H]4[NH+]=C3C2)cc1	ZINC000017070770	564024820	/nfs/dbraw/zinc/02/48/20/564024820.db2.gz	WGTNDBJFAOBDBF-IHPCNDPISA-N	1	0	336.479	4.496	40	30		EIEBRO
CCCCCNc1ccc(C#N)c(OCC[N@@H+]2CCCC[C@@H]2C)c1	ZINC000001661194	564082093	/nfs/dbraw/zinc/08/20/93/564082093.db2.gz	GEBPRIZEKVVPEZ-KRWDZBQOSA-N	1	0	329.488	4.414	40	30		EIEBRO
CC1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CC[NH+]3CCCC3)CC[C@H]21	ZINC000004028192	210103048	/nfs/dbraw/zinc/10/30/48/210103048.db2.gz	JBOGVOUBSNYXLL-SYYKKAFVSA-N	1	0	339.479	4.183	40	30		EIEBRO
C=C(C)C/C=C(/COC[C@@H](O)C[NH+](CC)CC)[Si](C)(CC)CC	ZINC000195805988	241035616	/nfs/dbraw/zinc/03/56/16/241035616.db2.gz	WKAOETGTAYRYKD-UZNZLNSGSA-N	1	0	341.612	4.256	40	30		EIEBRO
C[NH+](C)CCC[C@]1(c2ccc(Cl)cc2)OCc2cc(C#N)ccc21	ZINC000022054333	212274613	/nfs/dbraw/zinc/27/46/13/212274613.db2.gz	HYIJPACNNYCMRP-HXUWFJFHSA-N	1	0	340.854	4.327	40	30	in-vitro	EIEBRO
c1ccc(CNC(NCc2ccccc2)=[NH+]Cc2ccccc2)cc1	ZINC000001571152	526472659	/nfs/dbraw/zinc/47/26/59/526472659.db2.gz	CRQXNVPOHIITIU-UHFFFAOYSA-N	1	0	329.447	4.122	40	30		EIEBRO
C(=NNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc2c(c1)OCO2	ZINC000031769295	563913002	/nfs/dbraw/zinc/91/30/02/563913002.db2.gz	HOIYGEMGNXZXOH-UUYOSTAYSA-N	1	0	345.402	4.288	40	30		EIEBRO
CCCCCCCCCCCCCC[N+]12CN3CN(CN(C3)C1)C2	ZINC000100930620	520007771	/nfs/dbraw/zinc/00/77/71/520007771.db2.gz	NXVIKSAYCQNQKW-UHFFFAOYSA-N	1	0	337.576	4.196	40	30		EIEBRO
O=C(C[n+]1ccn(-c2ccccc2)c1)c1ccc(-c2ccccc2)cc1	ZINC000004797400	527196240	/nfs/dbraw/zinc/19/62/40/527196240.db2.gz	LSOFEHNCHNYMAC-UHFFFAOYSA-N	1	0	339.418	4.315	40	30		EIEBRO
CC(=CC(O)(C(F)(F)Cl)C(F)(F)Cl)[NH2+]Nc1ccccc1	ZINC000016958522	563827205	/nfs/dbraw/zinc/82/72/05/563827205.db2.gz	YIDSSMPKFICQOR-UFWORHAWSA-N	1	0	347.139	4.259	40	30		EIEBRO
CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CC[NH+]3CCCC3)CC[C@H]21	ZINC000012659565	564018771	/nfs/dbraw/zinc/01/87/71/564018771.db2.gz	JBOGVOUBSNYXLL-KAGYGMCKSA-N	1	0	339.479	4.183	40	30		EIEBRO
Clc1ccc(/[NH+]=C(\c2ccccc2)N2CCOCC2)cc1Cl	ZINC000057470441	564034903	/nfs/dbraw/zinc/03/49/03/564034903.db2.gz	XIGRAOLFFCSXTG-LVZFUZTISA-N	1	0	335.234	4.404	40	30		EIEBRO
CC(C)c1ccc([C@@H]2CC(=O)C3=CN[C@@H]4CCCC[C@H]4[NH+]=C3C2)cc1	ZINC000250582760	1050121477	/nfs/dbraw/zinc/12/14/77/1050121477.db2.gz	WGTNDBJFAOBDBF-DFQSSKMNSA-N	1	0	336.479	4.496	40	30		EIEBRO
C=CC[NH2+]Cc1cc(OC)c(OC2CCCC2)cc1Br	ZINC000036612767	213101814	/nfs/dbraw/zinc/10/18/14/213101814.db2.gz	CYELAFFELORBFN-UHFFFAOYSA-N	1	0	340.261	4.055	40	30		EIEBRO
C=CC[N+](C)(C)C[C@@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1	ZINC000226068984	242087476	/nfs/dbraw/zinc/08/74/76/242087476.db2.gz	ZACSJTYKIVDTAJ-LJQANCHMSA-N	1	0	348.551	4.403	40	30		EIEBRO
CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2)CC1	ZINC000020041516	212097318	/nfs/dbraw/zinc/09/73/18/212097318.db2.gz	JAFBLBZKVCKXAZ-UHFFFAOYSA-N	1	0	347.462	4.237	40	30		EIEBRO
CCCCCCC[C@@H](C)[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000104101775	520066730	/nfs/dbraw/zinc/06/67/30/520066730.db2.gz	DVIQWKPUKLPEKC-OAHLLOKOSA-N	1	0	336.432	4.090	40	30		EIEBRO
O=[N+]([O-])c1cccc(CO/[NH+]=C/c2ccc(N3CCCCC3)cc2)c1	ZINC000408591638	563490541	/nfs/dbraw/zinc/49/05/41/563490541.db2.gz	JTWCAMYMRWZNDG-XSFVSMFZSA-N	1	0	339.395	4.136	40	30		EIEBRO
CC(C=C(N=NC(N)=[NH2+])c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000005830551	563551784	/nfs/dbraw/zinc/55/17/84/563551784.db2.gz	QCOPCGAJEICCHM-UPRLWWMZSA-N	1	0	347.249	4.074	40	30		EIEBRO
COc1ccc(CC=C(N=Nc2ccccc2)[C@@H](C)C[NH+](C)C)cc1	ZINC000008652517	563634274	/nfs/dbraw/zinc/63/42/74/563634274.db2.gz	VDUAKXSYRLTBIT-SMNYSZNBSA-N	1	0	337.467	4.374	40	30		EIEBRO
C#C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1[NH+](C)C	ZINC000118924255	221204108	/nfs/dbraw/zinc/20/41/08/221204108.db2.gz	ZOWVLJRMRYFRHP-XANUBEDGSA-N	1	0	339.523	4.308	40	30		EIEBRO
C=CCOc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1	ZINC000010324070	564017311	/nfs/dbraw/zinc/01/73/11/564017311.db2.gz	KJCRZSZKACAEAY-UHFFFAOYSA-N	1	0	336.435	4.100	40	30		EIEBRO
C[C@@H]1CCC[C@H](C)[N@H+]1CC#C[C@@](O)(c1ccccc1)C1CCCC1	ZINC000096194502	564145996	/nfs/dbraw/zinc/14/59/96/564145996.db2.gz	ATYQNPRNSQFWAE-XQBPLPMBSA-N	1	0	325.496	4.331	40	30		EIEBRO