smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)C1	ZINC000159436473	488785054	/nfs/dbraw/zinc/78/50/54/488785054.db2.gz	IMLRUOGXEOTSCN-GFCCVEGCSA-N	1	1	364.421	0.957	20	70		FCIDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)C1	ZINC000159436628	488785233	/nfs/dbraw/zinc/78/52/33/488785233.db2.gz	IMLRUOGXEOTSCN-LBPRGKRZSA-N	1	1	364.421	0.957	20	70		FCIDMO
Cn1cc(N2CCC[C@@H](N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)C2=O)cn1	ZINC000159412241	488785418	/nfs/dbraw/zinc/78/54/18/488785418.db2.gz	IWFXPZAJKJZURU-IAGOWNOFSA-N	1	1	374.489	0.330	20	70		FCIDMO
O=C([C@H]1CSC[NH2+]1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1	ZINC000159794311	488787341	/nfs/dbraw/zinc/78/73/41/488787341.db2.gz	IPWRNNIXPMOIFP-CVEARBPZSA-N	1	1	360.483	0.599	20	70		FCIDMO
Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	ZINC000160394793	488791060	/nfs/dbraw/zinc/79/10/60/488791060.db2.gz	HTVJVXQWEGVPNM-GFCCVEGCSA-N	1	1	367.881	0.982	20	70		FCIDMO
CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1	ZINC000160590393	488792139	/nfs/dbraw/zinc/79/21/39/488792139.db2.gz	NMZBKPXNDSCBMO-UHFFFAOYSA-N	1	1	371.445	0.814	20	70		FCIDMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1	ZINC000160523182	488792287	/nfs/dbraw/zinc/79/22/87/488792287.db2.gz	DBPITMKUXSOJDR-ZACQAIPSSA-N	1	1	364.490	0.892	20	70		FCIDMO
CC(C)NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1	ZINC000160695298	488793259	/nfs/dbraw/zinc/79/32/59/488793259.db2.gz	UFCJOWVWBQOSFL-INIZCTEOSA-N	1	1	351.495	0.323	20	70		FCIDMO
CC[C@H](O)CCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000160916828	488794274	/nfs/dbraw/zinc/79/42/74/488794274.db2.gz	RQIFWJSGSOXYQJ-HNNXBMFYSA-N	1	1	350.467	0.449	20	70		FCIDMO
CC(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O	ZINC000160921750	528298428	/nfs/dbraw/zinc/29/84/28/528298428.db2.gz	NXUJSVCMGUQIEQ-CQSZACIVSA-N	1	1	354.538	0.994	20	70		FCIDMO
CC(C)S(=O)(=O)CCC[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O	ZINC000160921750	528298435	/nfs/dbraw/zinc/29/84/35/528298435.db2.gz	NXUJSVCMGUQIEQ-CQSZACIVSA-N	1	1	354.538	0.994	20	70		FCIDMO
COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C	ZINC000161257664	533315178	/nfs/dbraw/zinc/31/51/78/533315178.db2.gz	DKJISQRUGRLYDQ-UHFFFAOYSA-N	1	1	359.430	0.814	20	70		FCIDMO
CC(C)Cn1c(N)c(C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(=O)[nH]c1=O	ZINC000159497747	488785737	/nfs/dbraw/zinc/78/57/37/488785737.db2.gz	LCMQCPRMOKXSFF-RYUDHWBXSA-N	1	1	352.435	0.050	20	70		FCIDMO
CC(C)Cn1c(N)c(C(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c(=O)[nH]c1=O	ZINC000159497747	488785739	/nfs/dbraw/zinc/78/57/39/488785739.db2.gz	LCMQCPRMOKXSFF-RYUDHWBXSA-N	1	1	352.435	0.050	20	70		FCIDMO
CC[N@H+]1CCCN(C(=O)NCCS(=O)(=O)NCc2ccccc2)CC1	ZINC000159689422	488786960	/nfs/dbraw/zinc/78/69/60/488786960.db2.gz	KHRAIFDHPBWGEO-UHFFFAOYSA-N	1	1	368.503	0.843	20	70		FCIDMO
C[N@@H+](CC(=O)N1CCCN(CC(=O)N2CCCC2)CC1)[C@@H]1CCSC1	ZINC000159735866	488787169	/nfs/dbraw/zinc/78/71/69/488787169.db2.gz	QPUROHYAUHPAJU-MRXNPFEDSA-N	1	1	368.547	0.580	20	70		FCIDMO
Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)n1	ZINC000159780994	488787193	/nfs/dbraw/zinc/78/71/93/488787193.db2.gz	YHIWEPWJGNVIGR-INIZCTEOSA-N	1	1	368.503	0.925	20	70		FCIDMO
Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)n1	ZINC000159780994	488787196	/nfs/dbraw/zinc/78/71/96/488787196.db2.gz	YHIWEPWJGNVIGR-INIZCTEOSA-N	1	1	368.503	0.925	20	70		FCIDMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCC(=O)NC2CCCC2)CC1	ZINC000159807940	488788057	/nfs/dbraw/zinc/78/80/57/488788057.db2.gz	YMVLSEGWTNZFBD-INIZCTEOSA-N	1	1	364.490	0.590	20	70		FCIDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Cn1nnc2ccccc2c1=O	ZINC000160122808	488789599	/nfs/dbraw/zinc/78/95/99/488789599.db2.gz	XXEVPQBMZORNLA-UHFFFAOYSA-N	1	1	373.457	0.608	20	70		FCIDMO
Cc1cc(O)cc(=O)n1CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000160173550	488789850	/nfs/dbraw/zinc/78/98/50/488789850.db2.gz	HDONWVQMXSAKFO-UHFFFAOYSA-N	1	1	351.447	0.679	20	70		FCIDMO
C[C@H](CNC(=O)N[C@H](C)c1nnnn1-c1ccccc1)C[NH+]1CCOCC1	ZINC000160176028	488790009	/nfs/dbraw/zinc/79/00/09/488790009.db2.gz	XCVWQAKKHOUZCK-HUUCEWRRSA-N	1	1	373.461	0.991	20	70		FCIDMO
CCOCC[NH+]1CCN(C(=O)NCc2c(CC)c(CC)n[nH]c2=O)CC1	ZINC000160300581	488790160	/nfs/dbraw/zinc/79/01/60/488790160.db2.gz	GJGFTCGXKPTMKY-UHFFFAOYSA-N	1	1	365.478	0.758	20	70		FCIDMO
Cc1conc1NC(=O)C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1	ZINC000160382046	488790922	/nfs/dbraw/zinc/79/09/22/488790922.db2.gz	IQJPIJCHRRLBOF-UHFFFAOYSA-N	1	1	371.441	0.985	20	70		FCIDMO
CCCC[C@H](NC(N)=O)C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000160445280	488791651	/nfs/dbraw/zinc/79/16/51/488791651.db2.gz	ZBPXFWTXKDNYJZ-IKGGRYGDSA-N	1	1	362.474	0.965	20	70		FCIDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CC(=O)N1CCOCC1	ZINC000160973569	488794542	/nfs/dbraw/zinc/79/45/42/488794542.db2.gz	UASQCDUMKDCZQK-MRXNPFEDSA-N	1	1	354.495	0.997	20	70		FCIDMO
Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000159517192	488785807	/nfs/dbraw/zinc/78/58/07/488785807.db2.gz	ZJWCVOJYROAEEN-GFCCVEGCSA-N	1	1	359.430	0.012	20	70		FCIDMO
Cc1nc(C)c(CC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c(=O)[nH]1	ZINC000159692181	488786971	/nfs/dbraw/zinc/78/69/71/488786971.db2.gz	YDFUTAGHWGHXIC-UHFFFAOYSA-N	1	1	350.463	0.746	20	70		FCIDMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N(C)CC1CCOCC1	ZINC000159794605	488787321	/nfs/dbraw/zinc/78/73/21/488787321.db2.gz	QXYXVUDNGOIOJD-INIZCTEOSA-N	1	1	354.495	0.997	20	70		FCIDMO
CCCNC(=O)CN1CCC(NC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1	ZINC000160010098	488788979	/nfs/dbraw/zinc/78/89/79/488788979.db2.gz	MZBKAIIPLBPNEU-HNNXBMFYSA-N	1	1	356.536	0.531	20	70		FCIDMO
CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1	ZINC000160838764	488793831	/nfs/dbraw/zinc/79/38/31/488793831.db2.gz	YEPKRKUAWUGUIE-AWEZNQCLSA-N	1	1	358.508	0.680	20	70		FCIDMO
CCC(=O)N1CC[C@H](C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C1	ZINC000161458788	488796992	/nfs/dbraw/zinc/79/69/92/488796992.db2.gz	WPWVLKZUOVDZIU-INIZCTEOSA-N	1	1	364.490	0.402	20	70		FCIDMO
CCC(=O)N1CC[C@H](C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C1	ZINC000161458788	488796994	/nfs/dbraw/zinc/79/69/94/488796994.db2.gz	WPWVLKZUOVDZIU-INIZCTEOSA-N	1	1	364.490	0.402	20	70		FCIDMO
CC[N@H+]1CCCN(C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1	ZINC000159734767	529026786	/nfs/dbraw/zinc/02/67/86/529026786.db2.gz	HBVXRGOVXIEDJI-QGZVFWFLSA-N	1	1	356.536	0.932	20	70		FCIDMO
CCc1n[nH]c(=O)c(CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1CC	ZINC000160114263	547353335	/nfs/dbraw/zinc/35/33/35/547353335.db2.gz	RPHTWAIJVVAOLP-IAQYHMDHSA-N	1	1	351.451	0.413	20	70		FCIDMO
CCc1n[nH]c(=O)c(CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1CC	ZINC000160114263	547353340	/nfs/dbraw/zinc/35/33/40/547353340.db2.gz	RPHTWAIJVVAOLP-IAQYHMDHSA-N	1	1	351.451	0.413	20	70		FCIDMO
Cn1cc(N2CCC[C@H](N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)C2=O)cn1	ZINC000159412120	488785145	/nfs/dbraw/zinc/78/51/45/488785145.db2.gz	IWFXPZAJKJZURU-SJORKVTESA-N	1	1	374.489	0.330	20	70		FCIDMO
Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cn1	ZINC000160040094	488788705	/nfs/dbraw/zinc/78/87/05/488788705.db2.gz	LTDOFWSFYQLMID-GOSISDBHSA-N	1	1	368.437	0.864	20	70		FCIDMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCc3n[nH]cc3C2)CC1	ZINC000160127104	488789483	/nfs/dbraw/zinc/78/94/83/488789483.db2.gz	WPSHRHMOMVBCPK-HNNXBMFYSA-N	1	1	362.478	0.557	20	70		FCIDMO
Cc1ccnc2nc(C(=O)NC[C@@H]3C[C@H](O)C[N@H+]3Cc3ccccc3)nn21	ZINC000160544995	488792302	/nfs/dbraw/zinc/79/23/02/488792302.db2.gz	NUIKLIHFKJLMKX-HOTGVXAUSA-N	1	1	366.425	0.798	20	70		FCIDMO
C[C@](O)(CNC(=O)Nc1ccn(CC(F)(F)F)n1)C[NH+]1CCOCC1	ZINC000160823147	488793573	/nfs/dbraw/zinc/79/35/73/488793573.db2.gz	XDOPTBMGRFCHRR-ZDUSSCGKSA-N	1	1	365.356	0.650	20	70		FCIDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCc3ncnn3C2)C[C@@H](C)O1	ZINC000161197091	488795275	/nfs/dbraw/zinc/79/52/75/488795275.db2.gz	UGBHBXUNXYFFDM-FPCVCCKLSA-N	1	1	362.478	0.876	20	70		FCIDMO
CC(C)CCn1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)n1	ZINC000161268261	488795843	/nfs/dbraw/zinc/79/58/43/488795843.db2.gz	LDMLIPZBXKGRJG-HNNXBMFYSA-N	1	1	365.478	0.952	20	70		FCIDMO
CCC(=O)N1CC[C@@H](C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1	ZINC000161386536	528337587	/nfs/dbraw/zinc/33/75/87/528337587.db2.gz	OQFJAQXZMRRHLT-HUUCEWRRSA-N	1	1	352.479	0.304	20	70		FCIDMO
CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1	ZINC000160851253	208833855	/nfs/dbraw/zinc/83/38/55/208833855.db2.gz	FOHMUAOABWWKOZ-MRXNPFEDSA-N	1	1	365.522	0.855	20	70		FCIDMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CC(=O)NCCOc2ccccc2)CC1	ZINC000159369699	488784520	/nfs/dbraw/zinc/78/45/20/488784520.db2.gz	YITYVCJRYBVQGA-SFHVURJKSA-N	1	1	374.485	0.596	20	70		FCIDMO
CN1CCN(c2ccc(CNC(=O)C[N@H+](C)[C@H]3CCSC3)cn2)CC1	ZINC000159509519	488785564	/nfs/dbraw/zinc/78/55/64/488785564.db2.gz	QEPKZYIHQBZDEZ-INIZCTEOSA-N	1	1	363.531	0.887	20	70		FCIDMO
CN1CCN(c2ccc(CNC(=O)C[N@@H+](C)[C@H]3CCSC3)cn2)CC1	ZINC000159509519	488785567	/nfs/dbraw/zinc/78/55/67/488785567.db2.gz	QEPKZYIHQBZDEZ-INIZCTEOSA-N	1	1	363.531	0.887	20	70		FCIDMO
Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000159497395	488785621	/nfs/dbraw/zinc/78/56/21/488785621.db2.gz	JIGWLMLGBGFIOO-CYBMUJFWSA-N	1	1	371.441	0.155	20	70		FCIDMO
CC[N@H+]1CCCN(C(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1	ZINC000159634097	488786210	/nfs/dbraw/zinc/78/62/10/488786210.db2.gz	ZMCXFTXCHQXXDX-UHFFFAOYSA-N	1	1	354.476	0.832	20	70		FCIDMO
O=C(NCCCO)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000159925129	488788375	/nfs/dbraw/zinc/78/83/75/488788375.db2.gz	GMPXIWNOZAHENV-INIZCTEOSA-N	1	1	371.441	0.767	20	70		FCIDMO
C[NH+]1CCN([C@@H](C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c2ccccc2)CC1	ZINC000161489953	488797356	/nfs/dbraw/zinc/79/73/56/488797356.db2.gz	ULCBJJJEIXZHDW-GVDBMIGSSA-N	1	1	360.458	0.124	20	70		FCIDMO
Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160691873	534664591	/nfs/dbraw/zinc/66/45/91/534664591.db2.gz	SWTMGYASKOYKKP-CYBMUJFWSA-N	1	1	373.457	0.716	20	70		FCIDMO
CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1	ZINC000159548176	528740688	/nfs/dbraw/zinc/74/06/88/528740688.db2.gz	NKKIBDOPCLNTQQ-INIZCTEOSA-N	1	1	353.511	0.521	20	70		FCIDMO
CCc1n[nH]c(=O)c(CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1CC	ZINC000160114166	547353554	/nfs/dbraw/zinc/35/35/54/547353554.db2.gz	RPHTWAIJVVAOLP-XHDPSFHLSA-N	1	1	351.451	0.413	20	70		FCIDMO
CCc1n[nH]c(=O)c(CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1CC	ZINC000160114166	547353557	/nfs/dbraw/zinc/35/35/57/547353557.db2.gz	RPHTWAIJVVAOLP-XHDPSFHLSA-N	1	1	351.451	0.413	20	70		FCIDMO
CCS(=O)(=O)c1cccc(CC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1	ZINC000161282305	547386557	/nfs/dbraw/zinc/38/65/57/547386557.db2.gz	OFIBYGZFZAZPET-CZUORRHYSA-N	1	1	354.472	0.858	20	70		FCIDMO
CCS(=O)(=O)c1cccc(CC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1	ZINC000161282305	547386558	/nfs/dbraw/zinc/38/65/58/547386558.db2.gz	OFIBYGZFZAZPET-CZUORRHYSA-N	1	1	354.472	0.858	20	70		FCIDMO
COc1ccccc1CNC(=O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000159375082	488784536	/nfs/dbraw/zinc/78/45/36/488784536.db2.gz	MBYFGOZCWMPQSE-KRWDZBQOSA-N	1	1	374.485	0.726	20	70		FCIDMO
COCCCn1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)n1	ZINC000159436306	488785035	/nfs/dbraw/zinc/78/50/35/488785035.db2.gz	XFRPGZPHDOTQQS-HNNXBMFYSA-N	1	1	365.478	0.952	20	70		FCIDMO
CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)CC1	ZINC000159552693	488785829	/nfs/dbraw/zinc/78/58/29/488785829.db2.gz	ABJMVXFNFJUQSZ-HNNXBMFYSA-N	1	1	374.551	0.776	20	70		FCIDMO
CCN(Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCS(=O)(=O)C1	ZINC000160568344	488792163	/nfs/dbraw/zinc/79/21/63/488792163.db2.gz	DNHHZGITRUTPAN-OAHLLOKOSA-N	1	1	353.492	0.237	20	70		FCIDMO
CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000160656994	488792518	/nfs/dbraw/zinc/79/25/18/488792518.db2.gz	GVSYJIQNTKMZPC-HZPDHXFCSA-N	1	1	372.535	0.974	20	70		FCIDMO
CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1	ZINC000160695187	488793010	/nfs/dbraw/zinc/79/30/10/488793010.db2.gz	UFCJOWVWBQOSFL-MRXNPFEDSA-N	1	1	351.495	0.323	20	70		FCIDMO
C[C@@](O)(CNC(=O)Nc1ccn(CC(F)(F)F)n1)C[NH+]1CCOCC1	ZINC000160823013	488793538	/nfs/dbraw/zinc/79/35/38/488793538.db2.gz	XDOPTBMGRFCHRR-CYBMUJFWSA-N	1	1	365.356	0.650	20	70		FCIDMO
Cc1conc1NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000160920772	488794097	/nfs/dbraw/zinc/79/40/97/488794097.db2.gz	YNLOIUNTJJITCZ-GASCZTMLSA-N	1	1	363.462	0.939	20	70		FCIDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@](C)(O)CN1CCOCC1	ZINC000160906599	527966445	/nfs/dbraw/zinc/96/64/45/527966445.db2.gz	ZWVZRWSYGZEEAL-MJGOQNOKSA-N	1	1	370.538	0.879	20	70		FCIDMO
CCC(=O)N1CC[C@H](C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1	ZINC000161386400	528362813	/nfs/dbraw/zinc/36/28/13/528362813.db2.gz	OQFJAQXZMRRHLT-LSDHHAIUSA-N	1	1	352.479	0.304	20	70		FCIDMO
C[N@H+](CC(=O)N1CCC(C(=O)N2CCCC2)CC1)C[C@H]1CCC[C@@H]1O	ZINC000159642038	488786165	/nfs/dbraw/zinc/78/61/65/488786165.db2.gz	SLWLWZKFIQXRJA-SJORKVTESA-N	1	1	351.491	0.940	20	70		FCIDMO
Cc1ccc(C(=O)NCCNC(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1	ZINC000159572108	488786181	/nfs/dbraw/zinc/78/61/81/488786181.db2.gz	IHFXNEMDXXFKTE-INIZCTEOSA-N	1	1	362.474	0.992	20	70		FCIDMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(-n3ccnn3)c2)CC1	ZINC000159806314	488787604	/nfs/dbraw/zinc/78/76/04/488787604.db2.gz	HGGBXUWNNCZZCU-KRWDZBQOSA-N	1	1	368.441	0.646	20	70		FCIDMO
CCC[C@H]1CN(C(=O)N[C@@H](C)CN2CCOCC2)CC[N@H+]1CCOC	ZINC000160325334	488790415	/nfs/dbraw/zinc/79/04/15/488790415.db2.gz	RBHPQTREKGGGAW-IRXDYDNUSA-N	1	1	356.511	0.849	20	70		FCIDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)C2(NC(N)=O)CC2)CC1	ZINC000160358123	488791179	/nfs/dbraw/zinc/79/11/79/488791179.db2.gz	ZPUBYPIASFQBKC-UHFFFAOYSA-N	1	1	359.474	0.641	20	70		FCIDMO
NC(=O)c1cccnc1N1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1	ZINC000160749416	488793859	/nfs/dbraw/zinc/79/38/59/488793859.db2.gz	VIZHHHXTTKIJLJ-HNNXBMFYSA-N	1	1	372.473	0.496	20	70		FCIDMO
CN1CC[NH+](Cc2ccc(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)cc2)CC1	ZINC000161124526	488795199	/nfs/dbraw/zinc/79/51/99/488795199.db2.gz	IPYMIVNOEOKQIT-IRXDYDNUSA-N	1	1	360.458	0.197	20	70		FCIDMO
COCC[N@H+]1CCO[C@H]2CN(c3ccc(S(=O)(=O)F)nn3)CC[C@@H]2C1	ZINC001164852855	720877817	/nfs/dbraw/zinc/87/78/17/720877817.db2.gz	ACJYDLGMMKFUPF-OLZOCXBDSA-N	1	1	374.438	0.308	20	70		FCIDMO
COCC[N@H+]1CCO[C@@H]2CN(c3cc(S(=O)(=O)F)ccn3)CC[C@H]2C1	ZINC001164853362	720891868	/nfs/dbraw/zinc/89/18/68/720891868.db2.gz	CBWRNHCQFFTVTA-DZGCQCFKSA-N	1	1	373.450	0.913	20	70		FCIDMO
Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000159517039	488785759	/nfs/dbraw/zinc/78/57/59/488785759.db2.gz	ZJWCVOJYROAEEN-LBPRGKRZSA-N	1	1	359.430	0.012	20	70		FCIDMO
CCCNC(=O)C[NH+]1CCC(NC(=O)NCc2cnn(C)c2C)CC1	ZINC000159725153	488786651	/nfs/dbraw/zinc/78/66/51/488786651.db2.gz	DWYHKKQMYSZVDA-UHFFFAOYSA-N	1	1	350.467	0.518	20	70		FCIDMO
C[C@H](NC(=O)CNC(=O)C[N@@H+]1CCCC[C@@H]1CO)c1ccc(F)cc1	ZINC000159759027	488787380	/nfs/dbraw/zinc/78/73/80/488787380.db2.gz	VPPDDWITHNRSGL-XJKSGUPXSA-N	1	1	351.422	0.966	20	70		FCIDMO
C[C@H](NC(=O)CNC(=O)C[N@H+]1CCCC[C@@H]1CO)c1ccc(F)cc1	ZINC000159759027	488787381	/nfs/dbraw/zinc/78/73/81/488787381.db2.gz	VPPDDWITHNRSGL-XJKSGUPXSA-N	1	1	351.422	0.966	20	70		FCIDMO
C[C@@H](CNC(=O)N[C@@H](C)c1nnnn1-c1ccccc1)C[NH+]1CCOCC1	ZINC000160175688	488789788	/nfs/dbraw/zinc/78/97/88/488789788.db2.gz	XCVWQAKKHOUZCK-GJZGRUSLSA-N	1	1	373.461	0.991	20	70		FCIDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CNC(=O)NCc1ccco1	ZINC000160355725	488791011	/nfs/dbraw/zinc/79/10/11/488791011.db2.gz	PPNNKZNYJSJAMC-UHFFFAOYSA-N	1	1	366.462	0.896	20	70		FCIDMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1	ZINC000161377894	488796386	/nfs/dbraw/zinc/79/63/86/488796386.db2.gz	CDBWWYIEWATMTG-RISCZKNCSA-N	1	1	359.430	0.091	20	70		FCIDMO
C[NH+]1CCN(c2ncc(CN3CCN(C(=O)[C@@H]4CCCO4)CC3)cn2)CC1	ZINC000161010203	208834461	/nfs/dbraw/zinc/83/44/61/208834461.db2.gz	GGIVPCLQRJKSJH-KRWDZBQOSA-N	1	1	374.489	0.052	20	70		FCIDMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(CC(=O)NCc2cccs2)CC1	ZINC000159380538	488784647	/nfs/dbraw/zinc/78/46/47/488784647.db2.gz	GZCIGDFTDZTXSC-OAHLLOKOSA-N	1	1	350.488	0.778	20	70		FCIDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1	ZINC000159770654	488787359	/nfs/dbraw/zinc/78/73/59/488787359.db2.gz	KQARXSQQOSDAMB-ZDUSSCGKSA-N	1	1	373.457	0.545	20	70		FCIDMO
CN(C)c1cccc(C[N@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1	ZINC000159793199	488787480	/nfs/dbraw/zinc/78/74/80/488787480.db2.gz	RWCVXMOLTVBCEN-UHFFFAOYSA-N	1	1	359.430	0.047	20	70		FCIDMO
CN(C)c1cccc(C[N@@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1	ZINC000159793199	488787481	/nfs/dbraw/zinc/78/74/81/488787481.db2.gz	RWCVXMOLTVBCEN-UHFFFAOYSA-N	1	1	359.430	0.047	20	70		FCIDMO
CCCNC(=O)CN1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1	ZINC000160009968	488788858	/nfs/dbraw/zinc/78/88/58/488788858.db2.gz	MZBKAIIPLBPNEU-OAHLLOKOSA-N	1	1	356.536	0.531	20	70		FCIDMO
C[C@@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)C[NH+]1CCOCC1	ZINC000160337276	488790476	/nfs/dbraw/zinc/79/04/76/488790476.db2.gz	WKMZMHKINJORIW-KRWDZBQOSA-N	1	1	361.490	0.877	20	70		FCIDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000160264435	488790607	/nfs/dbraw/zinc/79/06/07/488790607.db2.gz	KJOKBYKSYNMOMC-CQSZACIVSA-N	1	1	363.462	0.579	20	70		FCIDMO
Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1	ZINC000160394944	488790886	/nfs/dbraw/zinc/79/08/86/488790886.db2.gz	HTVJVXQWEGVPNM-LBPRGKRZSA-N	1	1	367.881	0.982	20	70		FCIDMO
C[C@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)CN1CC[NH+](C)CC1	ZINC000160385535	488790983	/nfs/dbraw/zinc/79/09/83/488790983.db2.gz	VFGQKLUEYDGUSR-GOSISDBHSA-N	1	1	374.533	0.792	20	70		FCIDMO
CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000160657094	488792759	/nfs/dbraw/zinc/79/27/59/488792759.db2.gz	GVSYJIQNTKMZPC-HOTGVXAUSA-N	1	1	372.535	0.974	20	70		FCIDMO
COCCC1(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1	ZINC000161063639	488794571	/nfs/dbraw/zinc/79/45/71/488794571.db2.gz	JDVKHNFFIYJXOK-OAHLLOKOSA-N	1	1	352.479	0.751	20	70		FCIDMO
CC(C)CCn1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)n1	ZINC000161268123	488795925	/nfs/dbraw/zinc/79/59/25/488795925.db2.gz	LDMLIPZBXKGRJG-OAHLLOKOSA-N	1	1	365.478	0.952	20	70		FCIDMO
Cn1c2[nH]c(CN3CC[N@@H+](C)C[C@@H]3c3ccccc3)nc2c(=O)n(C)c1=O	ZINC000161339579	488796270	/nfs/dbraw/zinc/79/62/70/488796270.db2.gz	OIIJTKIICGGKCV-CQSZACIVSA-N	1	1	368.441	0.449	20	70		FCIDMO
CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1	ZINC000159548318	527847518	/nfs/dbraw/zinc/84/75/18/527847518.db2.gz	NKKIBDOPCLNTQQ-MRXNPFEDSA-N	1	1	353.511	0.521	20	70		FCIDMO
CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@](C)(O)CN1CCOCC1	ZINC000160906754	527969969	/nfs/dbraw/zinc/96/99/69/527969969.db2.gz	ZWVZRWSYGZEEAL-HKUYNNGSSA-N	1	1	370.538	0.879	20	70		FCIDMO
C[C@@H](NC(=O)Nc1cc(Br)cn(C)c1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000160425705	547384208	/nfs/dbraw/zinc/38/42/08/547384208.db2.gz	ZKQDEYSFUMLKAY-SKDRFNHKSA-N	1	1	373.251	0.988	20	70		FCIDMO
C[C@@H](NC(=O)Nc1cc(Br)cn(C)c1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000160425705	547384211	/nfs/dbraw/zinc/38/42/11/547384211.db2.gz	ZKQDEYSFUMLKAY-SKDRFNHKSA-N	1	1	373.251	0.988	20	70		FCIDMO
NS(=O)(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1	ZINC000160076307	229196540	/nfs/dbraw/zinc/19/65/40/229196540.db2.gz	RMHLFPSFGLESBP-WDEREUQCSA-N	1	1	372.413	0.045	20	70		FCIDMO
NS(=O)(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1	ZINC000160076307	229196546	/nfs/dbraw/zinc/19/65/46/229196546.db2.gz	RMHLFPSFGLESBP-WDEREUQCSA-N	1	1	372.413	0.045	20	70		FCIDMO
C[C@@H](CNC(=O)Nc1ccnn1C[C@@H]1CCOC1)CN1CC[NH+](C)CC1	ZINC000159431586	488785358	/nfs/dbraw/zinc/78/53/58/488785358.db2.gz	WBZPMZJNGBUILB-HOTGVXAUSA-N	1	1	364.494	0.925	20	70		FCIDMO
CCCNC(=O)CN1CCC(NC(=O)N2CCC[N@@H+](CC)CC2)CC1	ZINC000159645775	488786334	/nfs/dbraw/zinc/78/63/34/488786334.db2.gz	JABWGNFPFUUUQS-UHFFFAOYSA-N	1	1	353.511	0.714	20	70		FCIDMO
Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](CNS(N)(=O)=O)C3)C2=O)cc1	ZINC000160310679	488790348	/nfs/dbraw/zinc/79/03/48/488790348.db2.gz	JVMIPFSAVXHTRN-GDBMZVCRSA-N	1	1	366.487	0.605	20	70		FCIDMO
Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H](CNS(N)(=O)=O)C3)C2=O)cc1	ZINC000160310679	488790350	/nfs/dbraw/zinc/79/03/50/488790350.db2.gz	JVMIPFSAVXHTRN-GDBMZVCRSA-N	1	1	366.487	0.605	20	70		FCIDMO
CN1CC[NH+](Cc2ccc(C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)cc2)CC1	ZINC000161124654	488795066	/nfs/dbraw/zinc/79/50/66/488795066.db2.gz	IPYMIVNOEOKQIT-SJORKVTESA-N	1	1	360.458	0.197	20	70		FCIDMO
CCC(=O)N1CC[C@@H](C(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)C1	ZINC000161461131	488796671	/nfs/dbraw/zinc/79/66/71/488796671.db2.gz	KWRQIYPHNKUONU-MRXNPFEDSA-N	1	1	366.506	0.648	20	70		FCIDMO
CCC(=O)N1CC[C@@H](C(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)C1	ZINC000161461131	488796672	/nfs/dbraw/zinc/79/66/72/488796672.db2.gz	KWRQIYPHNKUONU-MRXNPFEDSA-N	1	1	366.506	0.648	20	70		FCIDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc(S(=O)(=O)F)nn3)CC[C@@H]2C1	ZINC001164852853	720878058	/nfs/dbraw/zinc/87/80/58/720878058.db2.gz	ACJYDLGMMKFUPF-CHWSQXEVSA-N	1	1	374.438	0.308	20	70		FCIDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1	ZINC000159770513	488787293	/nfs/dbraw/zinc/78/72/93/488787293.db2.gz	KQARXSQQOSDAMB-CYBMUJFWSA-N	1	1	373.457	0.545	20	70		FCIDMO
CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](C)C[NH+]1CCOCC1)CC2	ZINC000160063784	488788975	/nfs/dbraw/zinc/78/89/75/488788975.db2.gz	WAESCTGJZAJLOE-UONOGXRCSA-N	1	1	350.467	0.423	20	70		FCIDMO
O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000160639683	488792829	/nfs/dbraw/zinc/79/28/29/488792829.db2.gz	XYKIVANFJLUQLO-HZPDHXFCSA-N	1	1	350.463	0.504	20	70		FCIDMO
COCc1nc2n(n1)C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)CC2	ZINC000160814683	488793503	/nfs/dbraw/zinc/79/35/03/488793503.db2.gz	XSXGDHPOZYFRHX-ZIAGYGMSSA-N	1	1	350.467	0.721	20	70		FCIDMO
CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)CC1	ZINC000161227915	488795532	/nfs/dbraw/zinc/79/55/32/488795532.db2.gz	KJBZLNKGGZCRAJ-SMDDNHRTSA-N	1	1	365.396	0.701	20	70		FCIDMO
Cc1nn(C)c(=O)c(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)c1C	ZINC000161388829	488796578	/nfs/dbraw/zinc/79/65/78/488796578.db2.gz	KWJXZWCHCSKTHU-HNNXBMFYSA-N	1	1	350.463	0.874	20	70		FCIDMO
O=C(NCCCN1C(=O)c2ccccc2C1=O)NCCC[NH+]1CCOCC1	ZINC000217306095	209339384	/nfs/dbraw/zinc/33/93/84/209339384.db2.gz	XJXKIIBJYVXKHJ-UHFFFAOYSA-N	1	1	374.441	0.694	20	70		FCIDMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN(CC(=O)NCCOc2ccccc2)CC1	ZINC000159369568	488784589	/nfs/dbraw/zinc/78/45/89/488784589.db2.gz	YITYVCJRYBVQGA-GOSISDBHSA-N	1	1	374.485	0.596	20	70		FCIDMO
C[N@H+](CC(=O)NCCc1nc2ccccc2s1)CC(C)(CO)CO	ZINC000159580876	488786302	/nfs/dbraw/zinc/78/63/02/488786302.db2.gz	MWUPZLDLZGRDFG-UHFFFAOYSA-N	1	1	351.472	0.878	20	70		FCIDMO
C[N@@H+](CC(=O)NCCc1nc2ccccc2s1)CC(C)(CO)CO	ZINC000159580876	488786304	/nfs/dbraw/zinc/78/63/04/488786304.db2.gz	MWUPZLDLZGRDFG-UHFFFAOYSA-N	1	1	351.472	0.878	20	70		FCIDMO
C[C@H](CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C[NH+]1CCOCC1	ZINC000159744554	488787306	/nfs/dbraw/zinc/78/73/06/488787306.db2.gz	BCYBZLSYUUAOQC-VXGBXAGGSA-N	1	1	366.384	0.417	20	70		FCIDMO
CN(C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCC[N@@H+](C)C1	ZINC000159907727	488788020	/nfs/dbraw/zinc/78/80/20/488788020.db2.gz	WVCCJABZCPERDU-INIZCTEOSA-N	1	1	374.489	0.458	20	70		FCIDMO
CC[N@H+]1CCC[C@H]1CNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C	ZINC000159906262	488788111	/nfs/dbraw/zinc/78/81/11/488788111.db2.gz	BYPUCGWTUYMAPR-LBPRGKRZSA-N	1	1	359.430	0.155	20	70		FCIDMO
C[C@@H](NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)C(=O)N1CCOCC1	ZINC000160130015	488789221	/nfs/dbraw/zinc/78/92/21/488789221.db2.gz	KPOINAXAQOIPRC-MRXNPFEDSA-N	1	1	374.485	0.411	20	70		FCIDMO
C[C@H](CNC(=O)Nc1ccnn1C[C@@H]1CCOC1)CN1CC[NH+](C)CC1	ZINC000159431715	488785048	/nfs/dbraw/zinc/78/50/48/488785048.db2.gz	WBZPMZJNGBUILB-CVEARBPZSA-N	1	1	364.494	0.925	20	70		FCIDMO
CCN(Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CCS(=O)(=O)C1	ZINC000160568469	488791912	/nfs/dbraw/zinc/79/19/12/488791912.db2.gz	DNHHZGITRUTPAN-HNNXBMFYSA-N	1	1	353.492	0.237	20	70		FCIDMO
CNC(=O)COc1cccc(CC(=O)NCCC[NH+]2CCN(C)CC2)c1	ZINC000161173625	488795298	/nfs/dbraw/zinc/79/52/98/488795298.db2.gz	KHNQBWAYUQLSOA-UHFFFAOYSA-N	1	1	362.474	0.108	20	70		FCIDMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C1	ZINC000161238015	488795714	/nfs/dbraw/zinc/79/57/14/488795714.db2.gz	XTYUFQRIXWCQBY-CJNGLKHVSA-N	1	1	358.442	0.925	20	70		FCIDMO
CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)CC1	ZINC000161227827	488795918	/nfs/dbraw/zinc/79/59/18/488795918.db2.gz	KJBZLNKGGZCRAJ-RISCZKNCSA-N	1	1	365.396	0.701	20	70		FCIDMO
Cc1nn(C)c(=O)c(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)c1C	ZINC000161388691	488796526	/nfs/dbraw/zinc/79/65/26/488796526.db2.gz	KWJXZWCHCSKTHU-OAHLLOKOSA-N	1	1	350.463	0.874	20	70		FCIDMO
C[C@H](NC(=O)Nc1cc(Br)cn(C)c1=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000160425593	547384198	/nfs/dbraw/zinc/38/41/98/547384198.db2.gz	ZKQDEYSFUMLKAY-CABZTGNLSA-N	1	1	373.251	0.988	20	70		FCIDMO
C[C@H](NC(=O)Nc1cc(Br)cn(C)c1=O)[C@@H]1C[N@H+](C)CCO1	ZINC000160425593	547384196	/nfs/dbraw/zinc/38/41/96/547384196.db2.gz	ZKQDEYSFUMLKAY-CABZTGNLSA-N	1	1	373.251	0.988	20	70		FCIDMO
Cc1cccc([C@H]2CCC[N@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)n1	ZINC000159781113	488787362	/nfs/dbraw/zinc/78/73/62/488787362.db2.gz	YHIWEPWJGNVIGR-MRXNPFEDSA-N	1	1	368.503	0.925	20	70		FCIDMO
Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)n1	ZINC000159781113	488787363	/nfs/dbraw/zinc/78/73/63/488787363.db2.gz	YHIWEPWJGNVIGR-MRXNPFEDSA-N	1	1	368.503	0.925	20	70		FCIDMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCc3n[nH]cc3C2)CC1	ZINC000160127007	488789311	/nfs/dbraw/zinc/78/93/11/488789311.db2.gz	WPSHRHMOMVBCPK-OAHLLOKOSA-N	1	1	362.478	0.557	20	70		FCIDMO
C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCn2cccc2)cc1	ZINC000160128942	488789325	/nfs/dbraw/zinc/78/93/25/488789325.db2.gz	ZUPFDAUOEIACBG-UHFFFAOYSA-N	1	1	357.414	0.743	20	70		FCIDMO
C[C@@]1(O)CCCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000160150136	488789840	/nfs/dbraw/zinc/78/98/40/488789840.db2.gz	NWILBCFRYDMSIZ-GOSISDBHSA-N	1	1	362.478	0.545	20	70		FCIDMO
Cc1ccnc2nc(C(=O)NC[C@H]3C[C@H](O)C[N@H+]3Cc3ccccc3)nn21	ZINC000160545094	488792108	/nfs/dbraw/zinc/79/21/08/488792108.db2.gz	NUIKLIHFKJLMKX-CVEARBPZSA-N	1	1	366.425	0.798	20	70		FCIDMO
CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)c1	ZINC000160579846	488792292	/nfs/dbraw/zinc/79/22/92/488792292.db2.gz	DQCSRSQLKPFXJW-VIFPVBQESA-N	1	1	353.366	0.924	20	70		FCIDMO
CCCc1cc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)n2ncnc2n1	ZINC000160798247	488793679	/nfs/dbraw/zinc/79/36/79/488793679.db2.gz	QLARDCRKORHTEH-HNNXBMFYSA-N	1	1	357.462	0.995	20	70		FCIDMO
NC(=O)c1cccnc1N1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1	ZINC000160749345	488793807	/nfs/dbraw/zinc/79/38/07/488793807.db2.gz	VIZHHHXTTKIJLJ-OAHLLOKOSA-N	1	1	372.473	0.496	20	70		FCIDMO
C[N@H+](C[C@@H](O)CN1CCOCC1)[C@@H]1CCCN(c2ccccc2F)C1=O	ZINC000160901036	488793995	/nfs/dbraw/zinc/79/39/95/488793995.db2.gz	VFGVNFIXSKXJIJ-CRAIPNDOSA-N	1	1	365.449	0.946	20	70		FCIDMO
C[N@@H+](C[C@@H](O)CN1CCOCC1)[C@@H]1CCCN(c2ccccc2F)C1=O	ZINC000160901036	488793997	/nfs/dbraw/zinc/79/39/97/488793997.db2.gz	VFGVNFIXSKXJIJ-CRAIPNDOSA-N	1	1	365.449	0.946	20	70		FCIDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(S(=O)(=O)N2CCOCC2)CC1	ZINC000161247022	488795644	/nfs/dbraw/zinc/79/56/44/488795644.db2.gz	TXDXBIWTPCXYLD-IYBDPMFKSA-N	1	1	360.524	0.054	20	70		FCIDMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CC(=O)NCc2cccs2)CC1	ZINC000159380670	488784734	/nfs/dbraw/zinc/78/47/34/488784734.db2.gz	GZCIGDFTDZTXSC-HNNXBMFYSA-N	1	1	350.488	0.778	20	70		FCIDMO
CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)CC1	ZINC000159552551	488785769	/nfs/dbraw/zinc/78/57/69/488785769.db2.gz	ABJMVXFNFJUQSZ-OAHLLOKOSA-N	1	1	374.551	0.776	20	70		FCIDMO
Cc1ccc(C(=O)NCCNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1	ZINC000159571949	488786435	/nfs/dbraw/zinc/78/64/35/488786435.db2.gz	IHFXNEMDXXFKTE-MRXNPFEDSA-N	1	1	362.474	0.992	20	70		FCIDMO
COC(=O)c1ccc(NCCCCN2CC[NH+](CCO)CC2)nc1C	ZINC000159775330	488787596	/nfs/dbraw/zinc/78/75/96/488787596.db2.gz	UGQLYUOJEBEOIW-UHFFFAOYSA-N	1	1	350.463	0.979	20	70		FCIDMO
CCCN(C(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O)[C@@H]1CCS(=O)(=O)C1	ZINC000159871161	488788104	/nfs/dbraw/zinc/78/81/04/488788104.db2.gz	XXXXNGWEYMSKSG-JONQDZQNSA-N	1	1	360.520	0.893	20	70		FCIDMO
CCCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1O)[C@@H]1CCS(=O)(=O)C1	ZINC000159871161	488788105	/nfs/dbraw/zinc/78/81/05/488788105.db2.gz	XXXXNGWEYMSKSG-JONQDZQNSA-N	1	1	360.520	0.893	20	70		FCIDMO
NC(=O)c1cnn2c1nccc2C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1	ZINC000160394029	488791053	/nfs/dbraw/zinc/79/10/53/488791053.db2.gz	XPFCTCFGIRVWFN-CQSZACIVSA-N	1	1	368.397	0.988	20	70		FCIDMO
O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000160640042	488792855	/nfs/dbraw/zinc/79/28/55/488792855.db2.gz	XYKIVANFJLUQLO-HOTGVXAUSA-N	1	1	350.463	0.504	20	70		FCIDMO
CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)CC(=O)N1CCOCC1	ZINC000160973703	488794654	/nfs/dbraw/zinc/79/46/54/488794654.db2.gz	UASQCDUMKDCZQK-INIZCTEOSA-N	1	1	354.495	0.997	20	70		FCIDMO
CCc1n[nH]c(=O)c(CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1CC	ZINC000160114053	547353436	/nfs/dbraw/zinc/35/34/36/547353436.db2.gz	RPHTWAIJVVAOLP-ABAIWWIYSA-N	1	1	351.451	0.413	20	70		FCIDMO
CCc1n[nH]c(=O)c(CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1CC	ZINC000160114053	547353442	/nfs/dbraw/zinc/35/34/42/547353442.db2.gz	RPHTWAIJVVAOLP-ABAIWWIYSA-N	1	1	351.451	0.413	20	70		FCIDMO
COc1ccccc1CNC(=O)CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000159374945	488784528	/nfs/dbraw/zinc/78/45/28/488784528.db2.gz	MBYFGOZCWMPQSE-QGZVFWFLSA-N	1	1	374.485	0.726	20	70		FCIDMO
NC(=O)[C@@H]1CCC[N@H+]1C1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1	ZINC000159420319	488785338	/nfs/dbraw/zinc/78/53/38/488785338.db2.gz	WHNNBUGAGAZBRI-QWHCGFSZSA-N	1	1	362.396	0.564	20	70		FCIDMO
CC(C)Cn1c(N)c(C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(=O)n(C)c1=O	ZINC000159615408	488786427	/nfs/dbraw/zinc/78/64/27/488786427.db2.gz	CNEVBRBNLDMCIA-STQMWFEESA-N	1	1	366.462	0.061	20	70		FCIDMO
CC(C)Cn1c(N)c(C(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c(=O)n(C)c1=O	ZINC000159615408	488786430	/nfs/dbraw/zinc/78/64/30/488786430.db2.gz	CNEVBRBNLDMCIA-STQMWFEESA-N	1	1	366.462	0.061	20	70		FCIDMO
O=C([C@H]1CSC[NH2+]1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1	ZINC000159794423	488787366	/nfs/dbraw/zinc/78/73/66/488787366.db2.gz	IPWRNNIXPMOIFP-HZPDHXFCSA-N	1	1	360.483	0.599	20	70		FCIDMO
O=C([C@@H]1CSC[NH2+]1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1	ZINC000159794198	488787516	/nfs/dbraw/zinc/78/75/16/488787516.db2.gz	IPWRNNIXPMOIFP-JKSUJKDBSA-N	1	1	360.483	0.599	20	70		FCIDMO
O=C(CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1)NC1CC1	ZINC000160851075	488794258	/nfs/dbraw/zinc/79/42/58/488794258.db2.gz	PPJJTPNNOBFCSN-MRXNPFEDSA-N	1	1	363.506	0.609	20	70		FCIDMO
CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)CC1	ZINC000161227713	488795629	/nfs/dbraw/zinc/79/56/29/488795629.db2.gz	KJBZLNKGGZCRAJ-FZMZJTMJSA-N	1	1	365.396	0.701	20	70		FCIDMO
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)cnc21	ZINC000161240742	488795776	/nfs/dbraw/zinc/79/57/76/488795776.db2.gz	FVXSHJLZKZKALJ-SWLSCSKDSA-N	1	1	373.457	0.953	20	70		FCIDMO
CCC(=O)N1CC[C@H](C(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)C1	ZINC000161460974	488796856	/nfs/dbraw/zinc/79/68/56/488796856.db2.gz	KWRQIYPHNKUONU-INIZCTEOSA-N	1	1	366.506	0.648	20	70		FCIDMO
CCC(=O)N1CC[C@H](C(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)C1	ZINC000161460974	488796858	/nfs/dbraw/zinc/79/68/58/488796858.db2.gz	KWRQIYPHNKUONU-INIZCTEOSA-N	1	1	366.506	0.648	20	70		FCIDMO
C[C@@H](NC(=O)Nc1cc(Br)cn(C)c1=O)[C@H]1C[N@H+](C)CCO1	ZINC000160425976	547383993	/nfs/dbraw/zinc/38/39/93/547383993.db2.gz	ZKQDEYSFUMLKAY-BXKDBHETSA-N	1	1	373.251	0.988	20	70		FCIDMO
C[C@@H](NC(=O)Nc1cc(Br)cn(C)c1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000160425976	547383997	/nfs/dbraw/zinc/38/39/97/547383997.db2.gz	ZKQDEYSFUMLKAY-BXKDBHETSA-N	1	1	373.251	0.988	20	70		FCIDMO
O=C(NCCC[NH+]1CCOCC1)NCCN1C(=O)c2ccccc2C1=O	ZINC000217282177	488442247	/nfs/dbraw/zinc/44/22/47/488442247.db2.gz	HSQSKHIIDGTSND-UHFFFAOYSA-N	1	1	360.414	0.304	20	70		FCIDMO
C[N@H+](CC(=O)N1CCC(C(=O)N2CCCC2)CC1)C[C@@H]1CCC[C@@H]1O	ZINC000159641907	488786224	/nfs/dbraw/zinc/78/62/24/488786224.db2.gz	SLWLWZKFIQXRJA-IRXDYDNUSA-N	1	1	351.491	0.940	20	70		FCIDMO
CC[N@H+]1CCCN(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1	ZINC000159704672	488786992	/nfs/dbraw/zinc/78/69/92/488786992.db2.gz	YSHBDANDXIVSIB-UHFFFAOYSA-N	1	1	361.494	0.336	20	70		FCIDMO
Cc1c(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cnn1-c1ccccc1	ZINC000159923530	488788555	/nfs/dbraw/zinc/78/85/55/488788555.db2.gz	TWBFCKCECPEZFK-UHFFFAOYSA-N	1	1	371.441	0.958	20	70		FCIDMO
CCCC[C@H](NC(N)=O)C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000160445126	488791387	/nfs/dbraw/zinc/79/13/87/488791387.db2.gz	ZBPXFWTXKDNYJZ-ULQDDVLXSA-N	1	1	362.474	0.965	20	70		FCIDMO
Cc1ccnc2nc(C(=O)NC[C@@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)nn21	ZINC000160545217	488792173	/nfs/dbraw/zinc/79/21/73/488792173.db2.gz	NUIKLIHFKJLMKX-JKSUJKDBSA-N	1	1	366.425	0.798	20	70		FCIDMO
O=C(NCCO)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000160639247	488792777	/nfs/dbraw/zinc/79/27/77/488792777.db2.gz	FFWYWJRACHFZQP-OAHLLOKOSA-N	1	1	357.414	0.377	20	70		FCIDMO
COCc1nc2n(n1)C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)CC2	ZINC000160814544	488793588	/nfs/dbraw/zinc/79/35/88/488793588.db2.gz	XSXGDHPOZYFRHX-KGLIPLIRSA-N	1	1	350.467	0.721	20	70		FCIDMO
CC(C)[N@@H+]1C[C@H](NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)[C@@H](C)C1	ZINC000161238112	488795574	/nfs/dbraw/zinc/79/55/74/488795574.db2.gz	XTYUFQRIXWCQBY-BBRMVZONSA-N	1	1	358.442	0.925	20	70		FCIDMO
Cc1nc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)nn1-c1nnc(C(F)(F)F)[nH]1	ZINC000161335303	488796101	/nfs/dbraw/zinc/79/61/01/488796101.db2.gz	NNSCTHHPBFYYEO-JGVFFNPUSA-N	1	1	358.328	0.712	20	70		FCIDMO
Cc1nc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)nn1-c1nnc(C(F)(F)F)[nH]1	ZINC000161335600	488796103	/nfs/dbraw/zinc/79/61/03/488796103.db2.gz	NNSCTHHPBFYYEO-HTQZYQBOSA-N	1	1	358.328	0.712	20	70		FCIDMO
CCS(=O)(=O)c1cccc(CC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1	ZINC000161282094	547386531	/nfs/dbraw/zinc/38/65/31/547386531.db2.gz	OFIBYGZFZAZPET-CJNGLKHVSA-N	1	1	354.472	0.858	20	70		FCIDMO
CCS(=O)(=O)c1cccc(CC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1	ZINC000161282094	547386532	/nfs/dbraw/zinc/38/65/32/547386532.db2.gz	OFIBYGZFZAZPET-CJNGLKHVSA-N	1	1	354.472	0.858	20	70		FCIDMO
CC(C)Cn1c(N)c(C(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c(=O)[nH]c1=O	ZINC000159497894	208821853	/nfs/dbraw/zinc/82/18/53/208821853.db2.gz	LCMQCPRMOKXSFF-NEPJUHHUSA-N	1	1	352.435	0.050	20	70		FCIDMO
CC(C)Cn1c(N)c(C(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c(=O)[nH]c1=O	ZINC000159497894	208821855	/nfs/dbraw/zinc/82/18/55/208821855.db2.gz	LCMQCPRMOKXSFF-NEPJUHHUSA-N	1	1	352.435	0.050	20	70		FCIDMO
CC(C)Cn1c(N)c(C(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c(=O)n(C)c1=O	ZINC000159615543	488786206	/nfs/dbraw/zinc/78/62/06/488786206.db2.gz	CNEVBRBNLDMCIA-OLZOCXBDSA-N	1	1	366.462	0.061	20	70		FCIDMO
CC(C)Cn1c(N)c(C(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c(=O)n(C)c1=O	ZINC000159615543	488786207	/nfs/dbraw/zinc/78/62/07/488786207.db2.gz	CNEVBRBNLDMCIA-OLZOCXBDSA-N	1	1	366.462	0.061	20	70		FCIDMO
C[C@H](CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)C[NH+]1CCOCC1	ZINC000159744816	488787415	/nfs/dbraw/zinc/78/74/15/488787415.db2.gz	BCYBZLSYUUAOQC-NEPJUHHUSA-N	1	1	366.384	0.417	20	70		FCIDMO
C[C@@H](CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C[NH+]1CCOCC1	ZINC000159744408	488787563	/nfs/dbraw/zinc/78/75/63/488787563.db2.gz	BCYBZLSYUUAOQC-NWDGAFQWSA-N	1	1	366.384	0.417	20	70		FCIDMO
C[C@H](CO)NC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000160134625	488789514	/nfs/dbraw/zinc/78/95/14/488789514.db2.gz	ISBIVGZUEVILIC-GDBMZVCRSA-N	1	1	371.441	0.766	20	70		FCIDMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ncn(-c3ccccc3)n2)CC1	ZINC000160518217	488792296	/nfs/dbraw/zinc/79/22/96/488792296.db2.gz	RXYXFBQQWKWSPR-INIZCTEOSA-N	1	1	368.441	0.646	20	70		FCIDMO
O=C(NCCC[NH+]1CCOCC1)N1CCC(N2CCCCC2=O)CC1	ZINC000160644898	488792492	/nfs/dbraw/zinc/79/24/92/488792492.db2.gz	HGLONGILRIGUMK-UHFFFAOYSA-N	1	1	352.479	0.895	20	70		FCIDMO
Cc1nc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)nn1-c1nnc(C(F)(F)F)[nH]1	ZINC000161335443	488796112	/nfs/dbraw/zinc/79/61/12/488796112.db2.gz	NNSCTHHPBFYYEO-YUMQZZPRSA-N	1	1	358.328	0.712	20	70		FCIDMO
Cc1nc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)nn1-c1nnc(C(F)(F)F)[nH]1	ZINC000161335725	488796198	/nfs/dbraw/zinc/79/61/98/488796198.db2.gz	NNSCTHHPBFYYEO-SFYZADRCSA-N	1	1	358.328	0.712	20	70		FCIDMO
C[NH+]1CCN([C@H](C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c2ccccc2)CC1	ZINC000161489821	488797154	/nfs/dbraw/zinc/79/71/54/488797154.db2.gz	ULCBJJJEIXZHDW-BBWFWOEESA-N	1	1	360.458	0.124	20	70		FCIDMO
CCCS(=O)(=O)N1CCC(NC(=O)N2CCC[N@@H+](CC)CC2)CC1	ZINC000159596793	528802768	/nfs/dbraw/zinc/80/27/68/528802768.db2.gz	UAOWYIDBBLESIT-UHFFFAOYSA-N	1	1	360.524	0.928	20	70		FCIDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc(S(=O)(=O)F)nn3)CC[C@H]2C1	ZINC001164852857	720877837	/nfs/dbraw/zinc/87/78/37/720877837.db2.gz	ACJYDLGMMKFUPF-QWHCGFSZSA-N	1	1	374.438	0.308	20	70		FCIDMO
C[C@@H]1CN(C(=O)CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C[C@@H](C)O1	ZINC000159382595	488785200	/nfs/dbraw/zinc/78/52/00/488785200.db2.gz	YNCBWCCLNUNDHE-IIAWOOMASA-N	1	1	352.479	0.036	20	70		FCIDMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(-n3ccnn3)c2)CC1	ZINC000159806171	488787356	/nfs/dbraw/zinc/78/73/56/488787356.db2.gz	HGGBXUWNNCZZCU-QGZVFWFLSA-N	1	1	368.441	0.646	20	70		FCIDMO
CN(C)c1cccc(C[N@@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1	ZINC000159862247	488787752	/nfs/dbraw/zinc/78/77/52/488787752.db2.gz	OCFXXKYUJQTKJT-UHFFFAOYSA-N	1	1	370.457	0.632	20	70		FCIDMO
CC[N@@H+](CCNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1)C(C)C	ZINC000160178367	488789665	/nfs/dbraw/zinc/78/96/65/488789665.db2.gz	QATZIVHINUCJAK-UHFFFAOYSA-N	1	1	361.446	0.401	20	70		FCIDMO
C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)S(=O)(=O)c1ccc(F)cc1	ZINC000160693449	488793184	/nfs/dbraw/zinc/79/31/84/488793184.db2.gz	VQCAORLCYMWOEU-UKRRQHHQSA-N	1	1	372.462	0.951	20	70		FCIDMO
NC(=O)NC1(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000160967233	488794101	/nfs/dbraw/zinc/79/41/01/488794101.db2.gz	YBBOGXCSMWJVFL-UHFFFAOYSA-N	1	1	373.501	0.902	20	70		FCIDMO
C[NH+]1CCN([C@@H](C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c2ccccc2)CC1	ZINC000161490198	488797347	/nfs/dbraw/zinc/79/73/47/488797347.db2.gz	ULCBJJJEIXZHDW-BRWVUGGUSA-N	1	1	360.458	0.124	20	70		FCIDMO
C[C@@H]1C[N@H+](C[C@H](O)CN2CCO[C@@](C)(c3cnn(C)c3)C2)C[C@H](C)O1	ZINC000159445025	547347333	/nfs/dbraw/zinc/34/73/33/547347333.db2.gz	NYASUGXFJWBKPJ-CYGHRXIMSA-N	1	1	352.479	0.438	20	70		FCIDMO
COCC[N@H+]1CCO[C@H]2CN(c3cc(S(=O)(=O)F)ccn3)CC[C@H]2C1	ZINC001164853365	720891791	/nfs/dbraw/zinc/89/17/91/720891791.db2.gz	CBWRNHCQFFTVTA-ZFWWWQNUSA-N	1	1	373.450	0.913	20	70		FCIDMO
CS(=O)(=O)Nc1ccc(NC(=O)NCCC[NH+]2CCOCC2)cc1	ZINC000217282650	209339308	/nfs/dbraw/zinc/33/93/08/209339308.db2.gz	SVQAAJWZYOJBDI-UHFFFAOYSA-N	1	1	356.448	0.902	20	70		FCIDMO
NC(=O)[C@H]1CCC[N@H+]1C1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1	ZINC000159420182	488785254	/nfs/dbraw/zinc/78/52/54/488785254.db2.gz	WHNNBUGAGAZBRI-CHWSQXEVSA-N	1	1	362.396	0.564	20	70		FCIDMO
C[C@@H]1CN(C(=O)CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C[C@H](C)O1	ZINC000159382321	488785406	/nfs/dbraw/zinc/78/54/06/488785406.db2.gz	YNCBWCCLNUNDHE-IJEWVQPXSA-N	1	1	352.479	0.036	20	70		FCIDMO
C[C@@H](NC(=O)CNC(=O)C[N@@H+]1CCCC[C@@H]1CO)c1ccc(F)cc1	ZINC000159759175	488787301	/nfs/dbraw/zinc/78/73/01/488787301.db2.gz	VPPDDWITHNRSGL-CZUORRHYSA-N	1	1	351.422	0.966	20	70		FCIDMO
C[C@@H](NC(=O)CNC(=O)C[N@H+]1CCCC[C@@H]1CO)c1ccc(F)cc1	ZINC000159759175	488787303	/nfs/dbraw/zinc/78/73/03/488787303.db2.gz	VPPDDWITHNRSGL-CZUORRHYSA-N	1	1	351.422	0.966	20	70		FCIDMO
CC[N@@H+]1CCO[C@H](C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)C1	ZINC000160077609	488789448	/nfs/dbraw/zinc/78/94/48/488789448.db2.gz	NUBGYVPMUFNHJZ-KRWDZBQOSA-N	1	1	357.458	0.928	20	70		FCIDMO
CC[N@H+]1CCO[C@H](C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)C1	ZINC000160077609	488789450	/nfs/dbraw/zinc/78/94/50/488789450.db2.gz	NUBGYVPMUFNHJZ-KRWDZBQOSA-N	1	1	357.458	0.928	20	70		FCIDMO
NC(=O)c1cnn2c1nccc2C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1	ZINC000160394166	488790896	/nfs/dbraw/zinc/79/08/96/488790896.db2.gz	XPFCTCFGIRVWFN-AWEZNQCLSA-N	1	1	368.397	0.988	20	70		FCIDMO
Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1S(C)(=O)=O	ZINC000160619069	488792638	/nfs/dbraw/zinc/79/26/38/488792638.db2.gz	MWCYNWXIPQEUKQ-OAHLLOKOSA-N	1	1	354.472	0.975	20	70		FCIDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)C1	ZINC000160606772	488792647	/nfs/dbraw/zinc/79/26/47/488792647.db2.gz	LGVQPSMALSFSIQ-ZIAGYGMSSA-N	1	1	350.467	0.723	20	70		FCIDMO
O=C(NCCC[NH+]1CCOCC1)N1CCn2c(nnc2C(F)(F)F)C1	ZINC000160848621	488794330	/nfs/dbraw/zinc/79/43/30/488794330.db2.gz	ZHKAADCPWAEYQE-UHFFFAOYSA-N	1	1	362.356	0.544	20	70		FCIDMO
C[NH+]1CCN(c2ncc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)cn2)CC1	ZINC000161010330	488794641	/nfs/dbraw/zinc/79/46/41/488794641.db2.gz	GGIVPCLQRJKSJH-QGZVFWFLSA-N	1	1	374.489	0.052	20	70		FCIDMO
CNC(=O)C[NH+]1CCC(NC(=O)Nc2cccc(-c3ncn(C)n3)c2)CC1	ZINC000161483481	488797437	/nfs/dbraw/zinc/79/74/37/488797437.db2.gz	IPWQEZVPYDQGBX-UHFFFAOYSA-N	1	1	371.445	0.814	20	70		FCIDMO
COCC[N@H+]1CCO[C@@H]2CN(c3cc(S(=O)(=O)F)ccn3)CC[C@@H]2C1	ZINC001164853364	720891604	/nfs/dbraw/zinc/89/16/04/720891604.db2.gz	CBWRNHCQFFTVTA-UKRRQHHQSA-N	1	1	373.450	0.913	20	70		FCIDMO
C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)CC(C)(CO)CO	ZINC000159596856	208822437	/nfs/dbraw/zinc/82/24/37/208822437.db2.gz	VBOJFYARJIZUEY-UHFFFAOYSA-N	1	1	367.465	0.787	20	70		FCIDMO
NS(=O)(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1	ZINC000160076166	229196314	/nfs/dbraw/zinc/19/63/14/229196314.db2.gz	RMHLFPSFGLESBP-GHMZBOCLSA-N	1	1	372.413	0.045	20	70		FCIDMO
NS(=O)(=O)NC[C@H]1CCC[N@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1	ZINC000160076166	229196320	/nfs/dbraw/zinc/19/63/20/229196320.db2.gz	RMHLFPSFGLESBP-GHMZBOCLSA-N	1	1	372.413	0.045	20	70		FCIDMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2ccc(O)c(F)c2)CC1	ZINC000159547995	488785980	/nfs/dbraw/zinc/78/59/80/488785980.db2.gz	GZXBSCUMMRQJDH-UHFFFAOYSA-N	1	1	352.410	0.883	20	70		FCIDMO
CC(C)c1nc(NCCCCN2CC[NH+](CCO)CC2)nc(N(C)C)n1	ZINC000159775858	488787453	/nfs/dbraw/zinc/78/74/53/488787453.db2.gz	GUOZULBQJRUWEN-UHFFFAOYSA-N	1	1	365.526	0.863	20	70		FCIDMO
CC[N@H+]1CCCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1	ZINC000159840935	488787893	/nfs/dbraw/zinc/78/78/93/488787893.db2.gz	KFLQXIYJPRCSSU-UHFFFAOYSA-N	1	1	360.524	0.233	20	70		FCIDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Cn1nc2ccccn2c1=O	ZINC000159977375	488788304	/nfs/dbraw/zinc/78/83/04/488788304.db2.gz	AIMRYHLAVOWQTR-UHFFFAOYSA-N	1	1	361.446	0.313	20	70		FCIDMO
Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](CNS(N)(=O)=O)C3)C2=O)cc1	ZINC000160310529	488790635	/nfs/dbraw/zinc/79/06/35/488790635.db2.gz	JVMIPFSAVXHTRN-ZBFHGGJFSA-N	1	1	366.487	0.605	20	70		FCIDMO
Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H](CNS(N)(=O)=O)C3)C2=O)cc1	ZINC000160310529	488790637	/nfs/dbraw/zinc/79/06/37/488790637.db2.gz	JVMIPFSAVXHTRN-ZBFHGGJFSA-N	1	1	366.487	0.605	20	70		FCIDMO
CN1CC[NH+](Cc2ccc(C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)cc2)CC1	ZINC000161124478	488795345	/nfs/dbraw/zinc/79/53/45/488795345.db2.gz	IPYMIVNOEOKQIT-IAGOWNOFSA-N	1	1	360.458	0.197	20	70		FCIDMO
CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(S(=O)(=O)F)ccn1)CC2	ZINC001164692557	719758142	/nfs/dbraw/zinc/75/81/42/719758142.db2.gz	UZGVHVNAYDAJIA-UHFFFAOYSA-N	1	1	370.450	0.921	20	70		FCIDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1cc(S(=O)(=O)F)ccn1)CC2	ZINC001164692557	719758150	/nfs/dbraw/zinc/75/81/50/719758150.db2.gz	UZGVHVNAYDAJIA-UHFFFAOYSA-N	1	1	370.450	0.921	20	70		FCIDMO
O=C(CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1)NC1CC1	ZINC000160850934	208833659	/nfs/dbraw/zinc/83/36/59/208833659.db2.gz	PPJJTPNNOBFCSN-INIZCTEOSA-N	1	1	363.506	0.609	20	70		FCIDMO
C[C@@H](CNC(=O)Nc1ccnn1C[C@H]1CCOC1)CN1CC[NH+](C)CC1	ZINC000159431848	488785081	/nfs/dbraw/zinc/78/50/81/488785081.db2.gz	WBZPMZJNGBUILB-JKSUJKDBSA-N	1	1	364.494	0.925	20	70		FCIDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C1	ZINC000159390964	488785348	/nfs/dbraw/zinc/78/53/48/488785348.db2.gz	KVFVQHUVOYVNFL-CQSZACIVSA-N	1	1	371.445	0.695	20	70		FCIDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)NC[C@@H]2C1	ZINC000160013044	488788745	/nfs/dbraw/zinc/78/87/45/488788745.db2.gz	PIJQUOVCVIBKNG-UAGQMJEPSA-N	1	1	357.458	0.926	20	70		FCIDMO
CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](C)C[NH+]1CCOCC1)CC2	ZINC000160063643	488788818	/nfs/dbraw/zinc/78/88/18/488788818.db2.gz	WAESCTGJZAJLOE-KGLIPLIRSA-N	1	1	350.467	0.423	20	70		FCIDMO
CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCOCC1)CC2	ZINC000160063924	488788827	/nfs/dbraw/zinc/78/88/27/488788827.db2.gz	WAESCTGJZAJLOE-KBPBESRZSA-N	1	1	350.467	0.423	20	70		FCIDMO
CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000160656864	488792701	/nfs/dbraw/zinc/79/27/01/488792701.db2.gz	GVSYJIQNTKMZPC-CVEARBPZSA-N	1	1	372.535	0.974	20	70		FCIDMO
CCS(=O)(=O)c1cccc(CC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1	ZINC000161282199	547386677	/nfs/dbraw/zinc/38/66/77/547386677.db2.gz	OFIBYGZFZAZPET-XJKSGUPXSA-N	1	1	354.472	0.858	20	70		FCIDMO
CCS(=O)(=O)c1cccc(CC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1	ZINC000161282199	547386683	/nfs/dbraw/zinc/38/66/83/547386683.db2.gz	OFIBYGZFZAZPET-XJKSGUPXSA-N	1	1	354.472	0.858	20	70		FCIDMO
CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@](C)(O)c2ccc(F)cc2)CC1	ZINC000159688566	488786769	/nfs/dbraw/zinc/78/67/69/488786769.db2.gz	QIYYUBJZYKNQJR-GOSISDBHSA-N	1	1	366.437	0.543	20	70		FCIDMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(C)CC1CCOCC1	ZINC000159794736	488787345	/nfs/dbraw/zinc/78/73/45/488787345.db2.gz	QXYXVUDNGOIOJD-MRXNPFEDSA-N	1	1	354.495	0.997	20	70		FCIDMO
C[C@H](CNC(=O)N[C@@H](C)c1nnnn1-c1ccccc1)C[NH+]1CCOCC1	ZINC000160175811	488789690	/nfs/dbraw/zinc/78/96/90/488789690.db2.gz	XCVWQAKKHOUZCK-CABCVRRESA-N	1	1	373.461	0.991	20	70		FCIDMO
O=C(NCCO)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000160639107	488792720	/nfs/dbraw/zinc/79/27/20/488792720.db2.gz	FFWYWJRACHFZQP-HNNXBMFYSA-N	1	1	357.414	0.377	20	70		FCIDMO
O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000160639804	488792838	/nfs/dbraw/zinc/79/28/38/488792838.db2.gz	XYKIVANFJLUQLO-CVEARBPZSA-N	1	1	350.463	0.504	20	70		FCIDMO
Cn1c(=O)cccc1C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1	ZINC000160703947	488793047	/nfs/dbraw/zinc/79/30/47/488793047.db2.gz	XYLJBZXOEWGSHE-UHFFFAOYSA-N	1	1	368.437	0.954	20	70		FCIDMO
CC(C)NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1	ZINC000160851386	488794066	/nfs/dbraw/zinc/79/40/66/488794066.db2.gz	FOHMUAOABWWKOZ-INIZCTEOSA-N	1	1	365.522	0.855	20	70		FCIDMO
CC(C)(C)NC(=O)CNC(=O)CNc1ccccc1C[NH+]1CCOCC1	ZINC000161281949	526308718	/nfs/dbraw/zinc/30/87/18/526308718.db2.gz	LGEDSLMADYCFRA-UHFFFAOYSA-N	1	1	362.474	0.962	20	70		FCIDMO
CC[N@H+]1CCCN(C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1	ZINC000159525760	488785661	/nfs/dbraw/zinc/78/56/61/488785661.db2.gz	CVIWLNIETQVXIQ-UHFFFAOYSA-N	1	1	359.430	0.108	20	70		FCIDMO
CNC(=O)C[NH+]1CCC(NC(=O)NC[C@](C)(O)c2ccc(F)cc2)CC1	ZINC000159688715	488786974	/nfs/dbraw/zinc/78/69/74/488786974.db2.gz	QIYYUBJZYKNQJR-SFHVURJKSA-N	1	1	366.437	0.543	20	70		FCIDMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCc1ncccc1F	ZINC000159841169	488787858	/nfs/dbraw/zinc/78/78/58/488787858.db2.gz	QVCSFNFIWFMZFZ-OAHLLOKOSA-N	1	1	351.426	0.963	20	70		FCIDMO
CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)C1	ZINC000160077752	488789203	/nfs/dbraw/zinc/78/92/03/488789203.db2.gz	NUBGYVPMUFNHJZ-QGZVFWFLSA-N	1	1	357.458	0.928	20	70		FCIDMO
CC[N@H+]1CCO[C@@H](C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)C1	ZINC000160077752	488789205	/nfs/dbraw/zinc/78/92/05/488789205.db2.gz	NUBGYVPMUFNHJZ-QGZVFWFLSA-N	1	1	357.458	0.928	20	70		FCIDMO
C[N@@H+](C[C@@H](O)CN1CCOCC1)CC1CCN(C(=O)C(C)(C)C)CC1	ZINC000160086374	488789527	/nfs/dbraw/zinc/78/95/27/488789527.db2.gz	CLOCKGVDSPLPKR-QGZVFWFLSA-N	1	1	355.523	0.896	20	70		FCIDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000160264580	488790461	/nfs/dbraw/zinc/79/04/61/488790461.db2.gz	KJOKBYKSYNMOMC-AWEZNQCLSA-N	1	1	363.462	0.579	20	70		FCIDMO
C[C@@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)CN1CC[NH+](C)CC1	ZINC000160385424	488790814	/nfs/dbraw/zinc/79/08/14/488790814.db2.gz	VFGQKLUEYDGUSR-SFHVURJKSA-N	1	1	374.533	0.792	20	70		FCIDMO
Cc1ccnc2nc(C(=O)NC[C@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)nn21	ZINC000160545340	488792046	/nfs/dbraw/zinc/79/20/46/488792046.db2.gz	NUIKLIHFKJLMKX-HZPDHXFCSA-N	1	1	366.425	0.798	20	70		FCIDMO
CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000160657231	488792526	/nfs/dbraw/zinc/79/25/26/488792526.db2.gz	GVSYJIQNTKMZPC-JKSUJKDBSA-N	1	1	372.535	0.974	20	70		FCIDMO
CC[C@@H](O)CCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000160916921	488794061	/nfs/dbraw/zinc/79/40/61/488794061.db2.gz	RQIFWJSGSOXYQJ-OAHLLOKOSA-N	1	1	350.467	0.449	20	70		FCIDMO
C[N@H+](C[C@H](O)CN1CCOCC1)[C@@H]1CCCN(c2ccccc2F)C1=O	ZINC000160900902	488794122	/nfs/dbraw/zinc/79/41/22/488794122.db2.gz	VFGVNFIXSKXJIJ-MAUKXSAKSA-N	1	1	365.449	0.946	20	70		FCIDMO
C[N@@H+](C[C@H](O)CN1CCOCC1)[C@@H]1CCCN(c2ccccc2F)C1=O	ZINC000160900902	488794123	/nfs/dbraw/zinc/79/41/23/488794123.db2.gz	VFGVNFIXSKXJIJ-MAUKXSAKSA-N	1	1	365.449	0.946	20	70		FCIDMO
CN1CCN(C(=O)[C@H]2CCCN2C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1	ZINC000161000954	488794451	/nfs/dbraw/zinc/79/44/51/488794451.db2.gz	RJOKATHGDHFYFC-HUUCEWRRSA-N	1	1	354.520	0.189	20	70		FCIDMO
CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)CC1	ZINC000161228018	488795564	/nfs/dbraw/zinc/79/55/64/488795564.db2.gz	KJBZLNKGGZCRAJ-BXUZGUMPSA-N	1	1	365.396	0.701	20	70		FCIDMO
C[C@H](NC(=O)Nc1cc(Br)cn(C)c1=O)[C@H]1C[N@H+](C)CCO1	ZINC000160425833	547384087	/nfs/dbraw/zinc/38/40/87/547384087.db2.gz	ZKQDEYSFUMLKAY-JOYOIKCWSA-N	1	1	373.251	0.988	20	70		FCIDMO
C[C@H](NC(=O)Nc1cc(Br)cn(C)c1=O)[C@H]1C[N@@H+](C)CCO1	ZINC000160425833	547384090	/nfs/dbraw/zinc/38/40/90/547384090.db2.gz	ZKQDEYSFUMLKAY-JOYOIKCWSA-N	1	1	373.251	0.988	20	70		FCIDMO
Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000159497528	488785747	/nfs/dbraw/zinc/78/57/47/488785747.db2.gz	JIGWLMLGBGFIOO-ZDUSSCGKSA-N	1	1	371.441	0.155	20	70		FCIDMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCC(=O)NC2CCCC2)CC1	ZINC000159807783	488788093	/nfs/dbraw/zinc/78/80/93/488788093.db2.gz	YMVLSEGWTNZFBD-MRXNPFEDSA-N	1	1	364.490	0.590	20	70		FCIDMO
C[C@]1(O)CCCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000160150042	488789937	/nfs/dbraw/zinc/78/99/37/488789937.db2.gz	NWILBCFRYDMSIZ-SFHVURJKSA-N	1	1	362.478	0.545	20	70		FCIDMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N(C)C[C@@H]1CCC[C@@H]1O	ZINC000160476747	488791516	/nfs/dbraw/zinc/79/15/16/488791516.db2.gz	RQKKJKDPAAZUGO-JYJNAYRXSA-N	1	1	354.495	0.732	20	70		FCIDMO
CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCCC[NH+]1CCOCC1	ZINC000161124746	488795049	/nfs/dbraw/zinc/79/50/49/488795049.db2.gz	UZHQLLODQNWPPI-UHFFFAOYSA-N	1	1	365.459	0.848	20	70		FCIDMO
CCC(=O)N1CC[C@@H](C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C1	ZINC000161458904	488796538	/nfs/dbraw/zinc/79/65/38/488796538.db2.gz	WPWVLKZUOVDZIU-MRXNPFEDSA-N	1	1	364.490	0.402	20	70		FCIDMO
CCC(=O)N1CC[C@@H](C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C1	ZINC000161458904	488796539	/nfs/dbraw/zinc/79/65/39/488796539.db2.gz	WPWVLKZUOVDZIU-MRXNPFEDSA-N	1	1	364.490	0.402	20	70		FCIDMO
Cc1c(C(=O)N2CC[NH+](C(C)C)CC2)cnc2c1c(=O)n(C)c(=O)n2C	ZINC000161110562	533751079	/nfs/dbraw/zinc/75/10/79/533751079.db2.gz	HBPVPMCQPHOEOJ-UHFFFAOYSA-N	1	1	359.430	0.107	20	70		FCIDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C1	ZINC000159391081	488785307	/nfs/dbraw/zinc/78/53/07/488785307.db2.gz	KVFVQHUVOYVNFL-AWEZNQCLSA-N	1	1	371.445	0.695	20	70		FCIDMO
CN1CCN(c2ccc(CNC(=O)C[N@H+](C)[C@@H]3CCSC3)cn2)CC1	ZINC000159509382	488785753	/nfs/dbraw/zinc/78/57/53/488785753.db2.gz	QEPKZYIHQBZDEZ-MRXNPFEDSA-N	1	1	363.531	0.887	20	70		FCIDMO
CN1CCN(c2ccc(CNC(=O)C[N@@H+](C)[C@@H]3CCSC3)cn2)CC1	ZINC000159509382	488785754	/nfs/dbraw/zinc/78/57/54/488785754.db2.gz	QEPKZYIHQBZDEZ-MRXNPFEDSA-N	1	1	363.531	0.887	20	70		FCIDMO
COCCn1c(N)c(C(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c(=O)[nH]c1=O	ZINC000159594672	488786378	/nfs/dbraw/zinc/78/63/78/488786378.db2.gz	KJVLWIVZVMVPFW-RYUDHWBXSA-N	1	1	350.419	0.212	20	70		FCIDMO
O=C([C@@H]1CSC[NH2+]1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1	ZINC000159794067	488787508	/nfs/dbraw/zinc/78/75/08/488787508.db2.gz	IPWRNNIXPMOIFP-HOTGVXAUSA-N	1	1	360.483	0.599	20	70		FCIDMO
CN(C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCC[N@@H+](C)C1	ZINC000159907866	488787983	/nfs/dbraw/zinc/78/79/83/488787983.db2.gz	WVCCJABZCPERDU-MRXNPFEDSA-N	1	1	374.489	0.458	20	70		FCIDMO
O=C(NCCCO)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000159925293	488788207	/nfs/dbraw/zinc/78/82/07/488788207.db2.gz	GMPXIWNOZAHENV-MRXNPFEDSA-N	1	1	371.441	0.767	20	70		FCIDMO
COCCN(C)S(=O)(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1	ZINC000160356638	488791109	/nfs/dbraw/zinc/79/11/09/488791109.db2.gz	IMRKASQMBCRDIB-UHFFFAOYSA-N	1	1	370.519	0.563	20	70		FCIDMO
COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)nc1	ZINC000160417702	488791400	/nfs/dbraw/zinc/79/14/00/488791400.db2.gz	WEDOTPVJBGMBLU-UHFFFAOYSA-N	1	1	359.224	0.477	20	70		FCIDMO
CCCNC(=O)C[NH+]1CCC(NC(=O)NCc2ccccc2CO)CC1	ZINC000161138480	488795178	/nfs/dbraw/zinc/79/51/78/488795178.db2.gz	PRYXEAQUGCUTML-UHFFFAOYSA-N	1	1	362.474	0.969	20	70		FCIDMO
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)cnc21	ZINC000161240880	488795808	/nfs/dbraw/zinc/79/58/08/488795808.db2.gz	FVXSHJLZKZKALJ-WFASDCNBSA-N	1	1	373.457	0.953	20	70		FCIDMO
CC(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O	ZINC000160921888	528297864	/nfs/dbraw/zinc/29/78/64/528297864.db2.gz	NXUJSVCMGUQIEQ-AWEZNQCLSA-N	1	1	354.538	0.994	20	70		FCIDMO
CC(C)S(=O)(=O)CCC[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O	ZINC000160921888	528297871	/nfs/dbraw/zinc/29/78/71/528297871.db2.gz	NXUJSVCMGUQIEQ-AWEZNQCLSA-N	1	1	354.538	0.994	20	70		FCIDMO
C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)Cc1cccc(N(C)C)c1	ZINC000159875880	488787934	/nfs/dbraw/zinc/78/79/34/488787934.db2.gz	UDEWYCQSVXYREH-LBPRGKRZSA-N	1	1	373.457	0.435	20	70		FCIDMO
C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)Cc1cccc(N(C)C)c1	ZINC000159875880	488787936	/nfs/dbraw/zinc/78/79/36/488787936.db2.gz	UDEWYCQSVXYREH-LBPRGKRZSA-N	1	1	373.457	0.435	20	70		FCIDMO
C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCOCC1)c1nnnn1-c1ccccc1	ZINC000160175925	488789783	/nfs/dbraw/zinc/78/97/83/488789783.db2.gz	XCVWQAKKHOUZCK-LSDHHAIUSA-N	1	1	373.461	0.991	20	70		FCIDMO
C[NH+]1CCN(CCCCNC(=O)N2CCN(Cc3ccccn3)CC2)CC1	ZINC000160313213	488790374	/nfs/dbraw/zinc/79/03/74/488790374.db2.gz	DPRNCOJKGGJIKZ-UHFFFAOYSA-N	1	1	374.533	0.936	20	70		FCIDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)C3(NC(N)=O)CC3)cc2)CC1	ZINC000160511036	488792226	/nfs/dbraw/zinc/79/22/26/488792226.db2.gz	FVQHMBMKSHWOHC-UHFFFAOYSA-N	1	1	359.474	0.641	20	70		FCIDMO
CN1CC[NH+](Cc2ccc(C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)cc2)CC1	ZINC000161124387	488795025	/nfs/dbraw/zinc/79/50/25/488795025.db2.gz	IPYMIVNOEOKQIT-DLBZAZTESA-N	1	1	360.458	0.197	20	70		FCIDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCc3ncnn3C2)C[C@H](C)O1	ZINC000161196849	488795209	/nfs/dbraw/zinc/79/52/09/488795209.db2.gz	UGBHBXUNXYFFDM-QXSJWSMHSA-N	1	1	362.478	0.876	20	70		FCIDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCc3ncnn3C2)C[C@H](C)O1	ZINC000161196849	488795211	/nfs/dbraw/zinc/79/52/11/488795211.db2.gz	UGBHBXUNXYFFDM-QXSJWSMHSA-N	1	1	362.478	0.876	20	70		FCIDMO
Cc1cnccc1CCNC(=O)NCCCCN1CC[NH+](CCO)CC1	ZINC000161248756	488795827	/nfs/dbraw/zinc/79/58/27/488795827.db2.gz	CEFVGDMBCDMURY-UHFFFAOYSA-N	1	1	363.506	0.622	20	70		FCIDMO
CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@H](O)CN1CCOCC1	ZINC000161008255	527967032	/nfs/dbraw/zinc/96/70/32/527967032.db2.gz	SOGSCPSNNGJLCL-ROUUACIJSA-N	1	1	370.538	0.831	20	70		FCIDMO
CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(S(=O)(=O)F)nn1)CC2	ZINC001164689373	719742726	/nfs/dbraw/zinc/74/27/26/719742726.db2.gz	DCOHXXZODJPHON-UHFFFAOYSA-N	1	1	371.438	0.316	20	70		FCIDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(S(=O)(=O)F)nn1)CC2	ZINC001164689373	719742736	/nfs/dbraw/zinc/74/27/36/719742736.db2.gz	DCOHXXZODJPHON-UHFFFAOYSA-N	1	1	371.438	0.316	20	70		FCIDMO
C[C@@H](CCO)NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000159419054	488785031	/nfs/dbraw/zinc/78/50/31/488785031.db2.gz	ACROHZXSHCKVGF-YOEHRIQHSA-N	1	1	362.474	0.954	20	70		FCIDMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc3c([nH]c2=O)CCCCC3)CC1	ZINC000159658481	488786893	/nfs/dbraw/zinc/78/68/93/488786893.db2.gz	AMYBYASSGMXVLG-UHFFFAOYSA-N	1	1	374.485	0.926	20	70		FCIDMO
Cc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160203594	488789878	/nfs/dbraw/zinc/78/98/78/488789878.db2.gz	IGDJLKJFIXBASI-CQSZACIVSA-N	1	1	354.472	0.975	20	70		FCIDMO
CNC(=O)C[NH+]1CCC(NC(=O)N2CCCN(CC(F)F)CC2)CC1	ZINC000160386894	488791245	/nfs/dbraw/zinc/79/12/45/488791245.db2.gz	WPTKPLWOYUANMJ-UHFFFAOYSA-N	1	1	361.437	0.179	20	70		FCIDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)C1	ZINC000160606686	488792454	/nfs/dbraw/zinc/79/24/54/488792454.db2.gz	LGVQPSMALSFSIQ-UONOGXRCSA-N	1	1	350.467	0.723	20	70		FCIDMO
COCCC1(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1	ZINC000161063769	488794725	/nfs/dbraw/zinc/79/47/25/488794725.db2.gz	JDVKHNFFIYJXOK-HNNXBMFYSA-N	1	1	352.479	0.751	20	70		FCIDMO
CC[N@H+]1CCCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1	ZINC000159694940	547348317	/nfs/dbraw/zinc/34/83/17/547348317.db2.gz	SEQUOBYQFIFWNB-UHFFFAOYSA-N	1	1	350.467	0.508	20	70		FCIDMO
CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCS(=O)(=O)NCC1CCC1	ZINC000159520785	547348760	/nfs/dbraw/zinc/34/87/60/547348760.db2.gz	CJOZQHUOTNZFTP-OAHLLOKOSA-N	1	1	360.524	0.688	20	70		FCIDMO
COCCCn1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)n1	ZINC000159436143	488785115	/nfs/dbraw/zinc/78/51/15/488785115.db2.gz	XFRPGZPHDOTQQS-OAHLLOKOSA-N	1	1	365.478	0.952	20	70		FCIDMO
C[C@H](CNC(=O)Nc1ccnn1C[C@H]1CCOC1)CN1CC[NH+](C)CC1	ZINC000159431982	488785176	/nfs/dbraw/zinc/78/51/76/488785176.db2.gz	WBZPMZJNGBUILB-HZPDHXFCSA-N	1	1	364.494	0.925	20	70		FCIDMO
CCC[C@@H]1CN(C(=O)NCCCN2CCOCC2)CC[N@H+]1CCOC	ZINC000159654087	488787035	/nfs/dbraw/zinc/78/70/35/488787035.db2.gz	LASBVLJFFJMESB-QGZVFWFLSA-N	1	1	356.511	0.851	20	70		FCIDMO
C[C@@H](CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)C[NH+]1CCOCC1	ZINC000159744691	488787375	/nfs/dbraw/zinc/78/73/75/488787375.db2.gz	BCYBZLSYUUAOQC-RYUDHWBXSA-N	1	1	366.384	0.417	20	70		FCIDMO
CCCc1cc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)n2ncnc2n1	ZINC000160798107	488793512	/nfs/dbraw/zinc/79/35/12/488793512.db2.gz	QLARDCRKORHTEH-OAHLLOKOSA-N	1	1	357.462	0.995	20	70		FCIDMO
C[NH+]1CCN([C@H](C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c2ccccc2)CC1	ZINC000161490067	488797382	/nfs/dbraw/zinc/79/73/82/488797382.db2.gz	ULCBJJJEIXZHDW-ZACQAIPSSA-N	1	1	360.458	0.124	20	70		FCIDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H](O)CN1CCOCC1	ZINC000161008131	527963666	/nfs/dbraw/zinc/96/36/66/527963666.db2.gz	SOGSCPSNNGJLCL-MSOLQXFVSA-N	1	1	370.538	0.831	20	70		FCIDMO
CC[N@H+]1CCCN(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1	ZINC000159734912	529026996	/nfs/dbraw/zinc/02/69/96/529026996.db2.gz	HBVXRGOVXIEDJI-KRWDZBQOSA-N	1	1	356.536	0.932	20	70		FCIDMO
CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCS(=O)(=O)NCC1CCC1	ZINC000159520642	547348387	/nfs/dbraw/zinc/34/83/87/547348387.db2.gz	CJOZQHUOTNZFTP-HNNXBMFYSA-N	1	1	360.524	0.688	20	70		FCIDMO
CCc1n[nH]c(=O)c(CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1CC	ZINC000160113931	547353187	/nfs/dbraw/zinc/35/31/87/547353187.db2.gz	RPHTWAIJVVAOLP-NHYWBVRUSA-N	1	1	351.451	0.413	20	70		FCIDMO
CCc1n[nH]c(=O)c(CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1CC	ZINC000160113931	547353192	/nfs/dbraw/zinc/35/31/92/547353192.db2.gz	RPHTWAIJVVAOLP-NHYWBVRUSA-N	1	1	351.451	0.413	20	70		FCIDMO
CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)c1	ZINC000160579967	208829219	/nfs/dbraw/zinc/82/92/19/208829219.db2.gz	DQCSRSQLKPFXJW-SECBINFHSA-N	1	1	353.366	0.924	20	70		FCIDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)C1	ZINC000159443324	488785131	/nfs/dbraw/zinc/78/51/31/488785131.db2.gz	KEMMPGWDDYTQPO-OAHLLOKOSA-N	1	1	360.458	0.747	20	70		FCIDMO
C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)Cc1cccc(N(C)C)c1	ZINC000159876022	488787846	/nfs/dbraw/zinc/78/78/46/488787846.db2.gz	UDEWYCQSVXYREH-GFCCVEGCSA-N	1	1	373.457	0.435	20	70		FCIDMO
C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)Cc1cccc(N(C)C)c1	ZINC000159876022	488787848	/nfs/dbraw/zinc/78/78/48/488787848.db2.gz	UDEWYCQSVXYREH-GFCCVEGCSA-N	1	1	373.457	0.435	20	70		FCIDMO
NC(=O)NC1(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1	ZINC000160110476	488789258	/nfs/dbraw/zinc/78/92/58/488789258.db2.gz	DEUUSKGVPHVLNV-UHFFFAOYSA-N	1	1	359.474	0.511	20	70		FCIDMO
C[C@H](NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)C(=O)N1CCOCC1	ZINC000160129866	488789334	/nfs/dbraw/zinc/78/93/34/488789334.db2.gz	KPOINAXAQOIPRC-INIZCTEOSA-N	1	1	374.485	0.411	20	70		FCIDMO
C[C@H](CO)NC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000160134769	488789342	/nfs/dbraw/zinc/78/93/42/488789342.db2.gz	ISBIVGZUEVILIC-ZBFHGGJFSA-N	1	1	371.441	0.766	20	70		FCIDMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ncn(-c3ccccc3)n2)CC1	ZINC000160518073	488792030	/nfs/dbraw/zinc/79/20/30/488792030.db2.gz	RXYXFBQQWKWSPR-MRXNPFEDSA-N	1	1	368.441	0.646	20	70		FCIDMO
C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NC[C@@H]1CC[N@@H+](C)C1)C2=O	ZINC000160656393	488792880	/nfs/dbraw/zinc/79/28/80/488792880.db2.gz	FMUOGMFFUFRWPV-MCIONIFRSA-N	1	1	350.463	0.801	20	70		FCIDMO
C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)S(=O)(=O)c1ccc(F)cc1	ZINC000160693307	488793208	/nfs/dbraw/zinc/79/32/08/488793208.db2.gz	VQCAORLCYMWOEU-DZGCQCFKSA-N	1	1	372.462	0.951	20	70		FCIDMO
CN1CCN(C(=O)[C@@H]2CCCN2C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1	ZINC000161000831	488794832	/nfs/dbraw/zinc/79/48/32/488794832.db2.gz	RJOKATHGDHFYFC-CABCVRRESA-N	1	1	354.520	0.189	20	70		FCIDMO
CC(C)[N@@H+]1C[C@H](NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)[C@@H](C)C1	ZINC000161378016	488796261	/nfs/dbraw/zinc/79/62/61/488796261.db2.gz	CDBWWYIEWATMTG-FZMZJTMJSA-N	1	1	359.430	0.091	20	70		FCIDMO
COCC[N@H+]1CCO[C@H]2CN(c3ccc(S(=O)(=O)F)nn3)CC[C@H]2C1	ZINC001164852859	720878065	/nfs/dbraw/zinc/87/80/65/720878065.db2.gz	ACJYDLGMMKFUPF-STQMWFEESA-N	1	1	374.438	0.308	20	70		FCIDMO
COCC[N@H+]1CCO[C@H]2CN(c3cc(S(=O)(=O)F)ccn3)CC[C@@H]2C1	ZINC001164853363	720891485	/nfs/dbraw/zinc/89/14/85/720891485.db2.gz	CBWRNHCQFFTVTA-HIFRSBDPSA-N	1	1	373.450	0.913	20	70		FCIDMO
CCC[C@H]1CN(C(=O)NCCCN2CCOCC2)CC[N@H+]1CCOC	ZINC000159654240	488786778	/nfs/dbraw/zinc/78/67/78/488786778.db2.gz	LASBVLJFFJMESB-KRWDZBQOSA-N	1	1	356.511	0.851	20	70		FCIDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C	ZINC000159906131	488787911	/nfs/dbraw/zinc/78/79/11/488787911.db2.gz	BYPUCGWTUYMAPR-GFCCVEGCSA-N	1	1	359.430	0.155	20	70		FCIDMO
CCCN(C(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O)[C@H]1CCS(=O)(=O)C1	ZINC000159871288	488788011	/nfs/dbraw/zinc/78/80/11/488788011.db2.gz	XXXXNGWEYMSKSG-VGWMRTNUSA-N	1	1	360.520	0.893	20	70		FCIDMO
CCCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1O)[C@H]1CCS(=O)(=O)C1	ZINC000159871288	488788014	/nfs/dbraw/zinc/78/80/14/488788014.db2.gz	XXXXNGWEYMSKSG-VGWMRTNUSA-N	1	1	360.520	0.893	20	70		FCIDMO
CO[C@@H]1CCC[C@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000159929065	488788310	/nfs/dbraw/zinc/78/83/10/488788310.db2.gz	RJIUKMNJDYXIGR-HZPDHXFCSA-N	1	1	362.478	0.855	20	70		FCIDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2C(=O)NC[C@@H]2C1	ZINC000160012915	488789106	/nfs/dbraw/zinc/78/91/06/488789106.db2.gz	PIJQUOVCVIBKNG-OIISXLGYSA-N	1	1	357.458	0.926	20	70		FCIDMO
CCc1n[nH]c(=O)c(CNC(=O)N2CC[NH+](CCOC)CC2)c1CC	ZINC000160294566	488790340	/nfs/dbraw/zinc/79/03/40/488790340.db2.gz	HYQPDUDVCSQZCR-UHFFFAOYSA-N	1	1	351.451	0.368	20	70		FCIDMO
C[C@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)C[NH+]1CCOCC1	ZINC000160337396	488790509	/nfs/dbraw/zinc/79/05/09/488790509.db2.gz	WKMZMHKINJORIW-QGZVFWFLSA-N	1	1	361.490	0.877	20	70		FCIDMO
CC(C)(C)C(=O)N1CCC(C[N@@H+](CCO)CCN2CCOCC2)CC1	ZINC000159995873	547352152	/nfs/dbraw/zinc/35/21/52/547352152.db2.gz	LZPJFBMCKFUAAO-UHFFFAOYSA-N	1	1	355.523	0.898	20	70		FCIDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)C1	ZINC000159443455	488785126	/nfs/dbraw/zinc/78/51/26/488785126.db2.gz	KEMMPGWDDYTQPO-HNNXBMFYSA-N	1	1	360.458	0.747	20	70		FCIDMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCc1ncccc1F	ZINC000159841023	488787887	/nfs/dbraw/zinc/78/78/87/488787887.db2.gz	QVCSFNFIWFMZFZ-HNNXBMFYSA-N	1	1	351.426	0.963	20	70		FCIDMO
CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](C)C[NH+]1CCOCC1)CC2	ZINC000160063509	488788809	/nfs/dbraw/zinc/78/88/09/488788809.db2.gz	WAESCTGJZAJLOE-ZIAGYGMSSA-N	1	1	350.467	0.423	20	70		FCIDMO
C[N@@H+](C[C@H](O)CN1CCOCC1)CC1CCN(C(=O)C(C)(C)C)CC1	ZINC000160086228	488789582	/nfs/dbraw/zinc/78/95/82/488789582.db2.gz	CLOCKGVDSPLPKR-KRWDZBQOSA-N	1	1	355.523	0.896	20	70		FCIDMO
CCC[C@@H]1CN(C(=O)N[C@@H](C)CN2CCOCC2)CC[N@H+]1CCOC	ZINC000160325258	488790550	/nfs/dbraw/zinc/79/05/50/488790550.db2.gz	RBHPQTREKGGGAW-DLBZAZTESA-N	1	1	356.511	0.849	20	70		FCIDMO
O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000160639921	488792504	/nfs/dbraw/zinc/79/25/04/488792504.db2.gz	XYKIVANFJLUQLO-JKSUJKDBSA-N	1	1	350.463	0.504	20	70		FCIDMO
CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1	ZINC000160838640	488793839	/nfs/dbraw/zinc/79/38/39/488793839.db2.gz	YEPKRKUAWUGUIE-CQSZACIVSA-N	1	1	358.508	0.680	20	70		FCIDMO
COC(=O)Cn1cc(CC[NH+]2CCN(c3ccccc3OC)CC2)nn1	ZINC000160929192	488794118	/nfs/dbraw/zinc/79/41/18/488794118.db2.gz	WGWZZKVCKCOZQU-UHFFFAOYSA-N	1	1	359.430	0.824	20	70		FCIDMO
CCS(=O)(=O)c1cccc(CC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1	ZINC000161281983	547386997	/nfs/dbraw/zinc/38/69/97/547386997.db2.gz	OFIBYGZFZAZPET-BBRMVZONSA-N	1	1	354.472	0.858	20	70		FCIDMO
CCS(=O)(=O)c1cccc(CC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1	ZINC000161281983	547387002	/nfs/dbraw/zinc/38/70/02/547387002.db2.gz	OFIBYGZFZAZPET-BBRMVZONSA-N	1	1	354.472	0.858	20	70		FCIDMO