smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NCCN[C@H]1CS(=O)(=O)C[C@H]1O)c1ccc(Cl)cc1	ZINC000217374549	241246209	/nfs/dbraw/zinc/24/62/09/241246209.db2.gz	GKIDGKHFVZZMRH-NWDGAFQWSA-N	0	1	332.809	-0.183	40	0		EBABMN
Cc1nnc(SCCNC(=O)CN(C)S(=O)(=O)N(C)C)[nH]1	ZINC000225960014	242082176	/nfs/dbraw/zinc/08/21/76/242082176.db2.gz	CTEVLKFBQFPHJV-UHFFFAOYSA-N	0	1	336.443	-0.940	40	0		EBABMN
CN1CCN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@@H](C(N)=O)C1	ZINC000257229499	244206281	/nfs/dbraw/zinc/20/62/81/244206281.db2.gz	FYILNHFHCDLZTH-ZDUSSCGKSA-N	0	1	328.376	-0.244	40	0		EBABMN
O=C(c1ccn[nH]1)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2	ZINC000096076711	376490199	/nfs/dbraw/zinc/49/01/99/376490199.db2.gz	IVLCGHWOJBGERM-INIZCTEOSA-N	0	1	344.375	-0.052	40	0		EBABMN
COc1cccc(O[C@@H]2C[C@@H](NC(N)=O)[C@H](N(C)CCO)[C@H]2O)c1	ZINC000257294225	379197494	/nfs/dbraw/zinc/19/74/94/379197494.db2.gz	QTCSGTTUBASHKV-KBXIAJHMSA-N	0	1	339.392	-0.463	40	0		EBABMN
COc1ccc(C(=O)N[C@H]2CO[C@@H](CN3CCN(C)CC3)[C@@H]2O)cc1	ZINC000514289083	419058332	/nfs/dbraw/zinc/05/83/32/419058332.db2.gz	NLUQWYQOBCKUDB-YESZJQIVSA-N	0	1	349.431	-0.199	40	0	biogenic,in-vitro	EBABMN
Cc1cccc(CN2CC[C@@]3(C2)Cn2c(=O)c(=O)n(C)nc2CO3)n1	ZINC000306139808	419409709	/nfs/dbraw/zinc/40/97/09/419409709.db2.gz	UBHXPVJFFBLEAJ-QGZVFWFLSA-N	0	1	343.387	-0.180	40	0		EBABMN
COCC[N@H+]1C[C@@H]2CN(c3ncc(C)cn3)CCN2C[C@H](C(=O)[O-])C1	ZINC000096064136	277227599	/nfs/dbraw/zinc/22/75/99/277227599.db2.gz	YMBHGQUSHLYLHW-HUUCEWRRSA-N	0	1	349.435	-0.062	40	0		EBABMN
COCCN1C[C@@H]2CN(c3ncc(C)cn3)CC[N@@H+]2C[C@H](C(=O)[O-])C1	ZINC000096064136	277227601	/nfs/dbraw/zinc/22/76/01/277227601.db2.gz	YMBHGQUSHLYLHW-HUUCEWRRSA-N	0	1	349.435	-0.062	40	0		EBABMN
COCCN1C[C@@H]2CN(c3ncc(C)cn3)CC[N@H+]2C[C@H](C(=O)[O-])C1	ZINC000096064136	277227602	/nfs/dbraw/zinc/22/76/02/277227602.db2.gz	YMBHGQUSHLYLHW-HUUCEWRRSA-N	0	1	349.435	-0.062	40	0		EBABMN
CN1CCN(C(=O)c2cccc(-n3cnnc3)c2)C[C@H](C(N)=O)C1	ZINC000257274324	536407889	/nfs/dbraw/zinc/40/78/89/536407889.db2.gz	NKMKTKFWEMPDFF-CYBMUJFWSA-N	0	1	328.376	-0.244	40	0		EBABMN
CN(C(=O)c1ccn[nH]1)[C@@H]1CC[C@H](n2cnc3c2ncnc3N)[C@H]1O	ZINC000257219579	244177145	/nfs/dbraw/zinc/17/71/45/244177145.db2.gz	DHHWRAIRCIQIGP-SCVCMEIPSA-N	0	1	342.363	-0.032	40	0		EBABMN
O=S(=O)(N1CCOCC1)N1CCC[C@@H](c2cc(CO)n[nH]2)C1	ZINC000072363991	203206823	/nfs/dbraw/zinc/20/68/23/203206823.db2.gz	ZVXRUIMQSFZMEH-LLVKDONJSA-N	0	1	330.410	-0.342	40	0		EBABMN
CN1C(=O)CNN(CCCCN2CCN(c3ncccn3)CC2)C1=O	ZINC000206209011	375948655	/nfs/dbraw/zinc/94/86/55/375948655.db2.gz	JSDUEAIHFWVTOX-UHFFFAOYSA-N	0	1	347.423	-0.223	40	0		EBABMN
COCC(=O)N[C@@H]1CCCC[C@@H](N2CCN(C(C)=O)CC2)[C@@H]1O	ZINC000257320397	277196097	/nfs/dbraw/zinc/19/60/97/277196097.db2.gz	VWQBCDXBMWBLMA-IIAWOOMASA-N	0	1	327.425	-0.415	40	0		EBABMN
O=S1(=O)N[C@@H]2CN(C3CCOCC3)C[C@@H]2Oc2ncccc21	ZINC000514289658	280352457	/nfs/dbraw/zinc/35/24/57/280352457.db2.gz	NAKBRADJMQUTOO-NEPJUHHUSA-N	0	1	325.390	-0.016	40	0	biogenic,in-vitro	EBABMN
CN1CCN(C(=O)c2cccc(-n3cnnc3)c2)C[C@@H](C(N)=O)C1	ZINC000257274325	536407423	/nfs/dbraw/zinc/40/74/23/536407423.db2.gz	NKMKTKFWEMPDFF-ZDUSSCGKSA-N	0	1	328.376	-0.244	40	0		EBABMN
C[C@@]1(O)CN(C(=O)c2cnc[nH]2)CC[C@H]1n1cnc2c1ncnc2N	ZINC000257238749	244235740	/nfs/dbraw/zinc/23/57/40/244235740.db2.gz	HMJKWFHMLRBMRA-MEBBXXQBSA-N	0	1	342.363	-0.030	40	0		EBABMN
CCOC(=O)C1=C[C@@](C)(C(=O)OCC)Nc2c([nH]c(N)nc2=O)N1	ZINC000017224175	376081518	/nfs/dbraw/zinc/08/15/18/376081518.db2.gz	VXNZPAGSGBYICC-AWEZNQCLSA-N	0	1	337.336	-0.042	40	0		EBABMN
COCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC(=O)[O-])cc2)C[C@H]1O	ZINC000257288678	379196356	/nfs/dbraw/zinc/19/63/56/379196356.db2.gz	PVDLYUGXNVFVTR-ZIAGYGMSSA-N	0	1	338.360	-0.542	40	0		EBABMN
COCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC(=O)[O-])cc2)C[C@H]1O	ZINC000257288678	379196361	/nfs/dbraw/zinc/19/63/61/379196361.db2.gz	PVDLYUGXNVFVTR-ZIAGYGMSSA-N	0	1	338.360	-0.542	40	0		EBABMN
CCN(Cc1ccncc1)[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1O	ZINC000257303020	379199446	/nfs/dbraw/zinc/19/94/46/379199446.db2.gz	SFLJYLQTLRJYNL-IAGOWNOFSA-N	0	1	348.447	-0.193	40	0		EBABMN
CN(C)c1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccn[nH]3)C2)ncn1	ZINC000257306145	379199789	/nfs/dbraw/zinc/19/97/89/379199789.db2.gz	STCRILRVELISOG-MRXNPFEDSA-N	0	1	345.407	-0.021	40	0		EBABMN
N[C@@H]1C(=O)[C@H]2C(C(=O)[O-])=C(Cn3cc[n+]4ncccc34)CS[C@H]12	ZINC000207877901	379326765	/nfs/dbraw/zinc/32/67/65/379326765.db2.gz	PSOARANFLNQYAR-BZPMIXESSA-O	0	1	331.377	-0.355	40	0		EBABMN
CN1C(=O)C(=O)[C@@H](C(=O)NCc2ccc(F)cc2)N=C1C(C)(C)N	ZINC000575623580	381034617	/nfs/dbraw/zinc/03/46/17/381034617.db2.gz	MHODNZQPDYJIOK-NSHDSACASA-N	0	1	334.351	-0.013	40	0		EBABMN
CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)c1ccc(-n2cccn2)nc1	ZINC000257330730	419304241	/nfs/dbraw/zinc/30/42/41/419304241.db2.gz	XPQZPGRCRZBHAD-OLZOCXBDSA-N	0	1	328.376	-0.327	40	0		EBABMN
CC(=O)OC[C@@H]1O[C@H](N)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000245239669	278219665	/nfs/dbraw/zinc/21/96/65/278219665.db2.gz	LMVYBLMOENOGGK-QNSTZXKLSA-N	0	1	347.320	-0.972	40	0		EBABMN
CO[C@H]1OC[C@H](NC(=O)C(F)(F)F)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000004946206	375901013	/nfs/dbraw/zinc/90/10/13/375901013.db2.gz	DILDOLIPDSTMHT-JLIMGVALSA-N	0	1	343.254	-0.100	40	0		EBABMN
CO[C@H]1OC[C@@H](NC(=O)C(F)(F)F)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000004946205	375901761	/nfs/dbraw/zinc/90/17/61/375901761.db2.gz	DILDOLIPDSTMHT-RGOKHQFPSA-N	0	1	343.254	-0.100	40	0		EBABMN
CCOC(=O)N1CCC(O)(CN2CCO[C@@](C)(C(N)=O)C2)CC1	ZINC000585284062	376522870	/nfs/dbraw/zinc/52/28/70/376522870.db2.gz	RBFXYACAQBODBB-CQSZACIVSA-N	0	1	329.397	-0.454	40	0		EBABMN
CC(=O)N1CCN(C[C@@H]2OC[C@H](NCc3ccccn3)[C@H]2O)CC1	ZINC000514289568	419058413	/nfs/dbraw/zinc/05/84/13/419058413.db2.gz	VFFNYBHYSUUCTE-YESZJQIVSA-N	0	1	334.420	-0.536	40	0	biogenic,in-vitro	EBABMN
CN1CCN(C[C@@H]2OC[C@H](NC(=O)COc3ccccc3)[C@H]2O)CC1	ZINC000514288411	419059855	/nfs/dbraw/zinc/05/98/55/419059855.db2.gz	DAXZFMRLUHRALS-XYJFISCASA-N	0	1	349.431	-0.443	40	0	biogenic,in-vitro	EBABMN
CC(=O)Nc1[nH]n(-c2ccccc2)c(=O)c1S[C@H]1N=NC(N)N1	ZINC000016321039	277023726	/nfs/dbraw/zinc/02/37/26/277023726.db2.gz	CATQSCBLYQYPDS-NOZJJQNGSA-N	0	1	333.377	-0.709	40	0		EBABMN
CC(=O)OC[C@@H]1O[C@H](N)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000105823537	278219523	/nfs/dbraw/zinc/21/95/23/278219523.db2.gz	LMVYBLMOENOGGK-MRTXSQPYSA-N	0	1	347.320	-0.972	40	0		EBABMN
CC(=O)N1CC[N@@H+](Cc2ccccc2OCC(=O)[O-])C[C@H](C(N)=O)C1	ZINC000257276462	534795035	/nfs/dbraw/zinc/79/50/35/534795035.db2.gz	NTVDQWRTLUPWPM-AWEZNQCLSA-N	0	1	349.387	-0.084	40	0		EBABMN
O=C(NCCN[C@H]1CS(=O)(=O)C[C@@H]1O)c1ccc(Cl)cc1	ZINC000217374632	241246604	/nfs/dbraw/zinc/24/66/04/241246604.db2.gz	GKIDGKHFVZZMRH-RYUDHWBXSA-N	0	1	332.809	-0.183	40	0		EBABMN
Cn1c(=O)cc(NC(=O)CN2CCC[C@@H]2Cn2cccn2)n(C)c1=O	ZINC000100787035	376532622	/nfs/dbraw/zinc/53/26/22/376532622.db2.gz	KSWPBWQYODVUEU-GFCCVEGCSA-N	0	1	346.391	-0.616	40	0		EBABMN
O=C([C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1)N1CCOCC1	ZINC000008298038	419017795	/nfs/dbraw/zinc/01/77/95/419017795.db2.gz	ICCDSWRSQYGCNP-BMFZPTHFSA-N	0	1	349.435	-0.618	40	0	biogenic,in-vitro	EBABMN
COc1ncccc1C(=O)N1CC[C@@](O)(CN2CCN(C)CC2)C1	ZINC000257236937	537152701	/nfs/dbraw/zinc/15/27/01/537152701.db2.gz	HEKGZIRTCGKOBB-QGZVFWFLSA-N	0	1	334.420	-0.085	40	0		EBABMN
CS(=O)(=O)NCC(=O)N1CCO[C@H](CCc2ccnc(N)c2)C1	ZINC000257203701	244127271	/nfs/dbraw/zinc/12/72/71/244127271.db2.gz	ARGLIZHHAWJRRS-GFCCVEGCSA-N	0	1	342.421	-0.627	40	0		EBABMN
CN1CCN(C(=O)c2ccc(-n3cccn3)nc2)C[C@@H](C(N)=O)C1	ZINC000257235808	244229900	/nfs/dbraw/zinc/22/99/00/244229900.db2.gz	GZOVLYLOQMJQHI-ZDUSSCGKSA-N	0	1	328.376	-0.244	40	0		EBABMN
CC1(c2[nH]ncc2C(N)=O)CCN(C(=O)CN2CCOCC2)CC1	ZINC000072388926	203213413	/nfs/dbraw/zinc/21/34/13/203213413.db2.gz	YYMQGIASXFZLMZ-UHFFFAOYSA-N	0	1	335.408	-0.279	40	0		EBABMN
CN(C)S(=O)(=O)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1	ZINC000257259968	244293256	/nfs/dbraw/zinc/29/32/56/244293256.db2.gz	LAUPWDDEBNYLSW-NSHDSACASA-N	0	1	327.397	-0.039	40	0		EBABMN
CC(=O)Nc1[nH]n(-c2ccccc2)c(=O)c1S[C@@H]1N=NC(N)N1	ZINC000016321035	375995436	/nfs/dbraw/zinc/99/54/36/375995436.db2.gz	CATQSCBLYQYPDS-RNCFNFMXSA-N	0	1	333.377	-0.709	40	0		EBABMN
CCOC(=O)N1CCC(O)(CN2CCO[C@](C)(C(=O)NC)C2)CC1	ZINC000585287488	376524580	/nfs/dbraw/zinc/52/45/80/376524580.db2.gz	YAWMBDXCAQQWJU-HNNXBMFYSA-N	0	1	343.424	-0.193	40	0		EBABMN
CN1CCN(Cc2cn3c(n2)CN(C(=O)N2CCOCC2)CC3)CC1	ZINC000096197324	376491972	/nfs/dbraw/zinc/49/19/72/376491972.db2.gz	NFBWRDFOQIYBAM-UHFFFAOYSA-N	0	1	348.451	-0.102	40	0		EBABMN
CC(C)CN(CC(=O)Nc1cnn(C)c1)C[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585290983	376525780	/nfs/dbraw/zinc/52/57/80/376525780.db2.gz	JTOBQAUYFDZCSX-XPKDYRNWSA-N	0	1	340.424	-0.315	40	0		EBABMN
Cc1cc2ncc(CN(C)C)c([C@H]3CN(CC(N)=O)CCO3)n2n1	ZINC000257279600	379194994	/nfs/dbraw/zinc/19/49/94/379194994.db2.gz	OHILPUFMPJELTP-CYBMUJFWSA-N	0	1	332.408	-0.042	40	0		EBABMN
O=C([C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CO)nn1)N1CCOCC1	ZINC000008298097	418950329	/nfs/dbraw/zinc/95/03/29/418950329.db2.gz	UOHPYQWHMVSJQF-YUELXQCFSA-N	0	1	335.408	-0.660	40	0	biogenic,in-vitro	EBABMN
C[C@@H]1CN(C(=O)NCC(=O)N2CCOCC2)CCN1CC(C)(C)O	ZINC000408404356	419256379	/nfs/dbraw/zinc/25/63/79/419256379.db2.gz	IFNGUMGALBRUMG-CYBMUJFWSA-N	0	1	342.440	-0.668	40	0		EBABMN
CC(=O)OC[C@H]1O[C@@H](N)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000031750025	278219899	/nfs/dbraw/zinc/21/98/99/278219899.db2.gz	LMVYBLMOENOGGK-PEBLQZBPSA-N	0	1	347.320	-0.972	40	0		EBABMN
Cc1cn([C@H]2CCN(C(=O)c3ccn[nH]3)C[C@]2(C)O)c(=O)[nH]c1=O	ZINC000257227622	279000963	/nfs/dbraw/zinc/00/09/63/279000963.db2.gz	FQEHOPOAFMWSAV-NHYWBVRUSA-N	0	1	333.348	-0.181	40	0		EBABMN
O=C(NCCN[C@@H]1CS(=O)(=O)C[C@@H]1O)c1ccc(Cl)cc1	ZINC000217374798	241245606	/nfs/dbraw/zinc/24/56/06/241245606.db2.gz	GKIDGKHFVZZMRH-NEPJUHHUSA-N	0	1	332.809	-0.183	40	0		EBABMN
CCN(Cc1ccncc1)[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1O	ZINC000257262727	244352137	/nfs/dbraw/zinc/35/21/37/244352137.db2.gz	LMOYVQJSCZNUQQ-HUUCEWRRSA-N	0	1	345.407	-0.448	40	0		EBABMN
CNC(=O)C[C@@]1(O)COCCN(C(=O)CN2CCC(C)CC2)C1	ZINC000585280222	376518141	/nfs/dbraw/zinc/51/81/41/376518141.db2.gz	CXAYWIJSTKCHTR-INIZCTEOSA-N	0	1	327.425	-0.556	40	0		EBABMN
CNC(=O)C[C@@]1(O)COCCN(Cc2cccc(OCCO)c2)C1	ZINC000585280520	376521892	/nfs/dbraw/zinc/52/18/92/376521892.db2.gz	JVFXLUCGHZJTFI-KRWDZBQOSA-N	0	1	338.404	-0.243	40	0		EBABMN
COCC(=O)N1C[C@@H]2COCCN2C2(CN(C3CCOCC3)C2)C1	ZINC000604382013	378450440	/nfs/dbraw/zinc/45/04/40/378450440.db2.gz	YXNJSDSULLKZNU-OAHLLOKOSA-N	0	1	339.436	-0.591	40	0	biogenic,in-vitro	EBABMN
CN(C)c1cc(N2CC[C@](O)(CN(C)C(=O)c3ccn[nH]3)C2)ncn1	ZINC000257306144	379199552	/nfs/dbraw/zinc/19/95/52/379199552.db2.gz	STCRILRVELISOG-INIZCTEOSA-N	0	1	345.407	-0.021	40	0		EBABMN
Cc1cn([C@@H]2CN(C(=O)c3cnc[nH]3)CC[C@@]2(C)O)c(=O)[nH]c1=O	ZINC000257302181	379199599	/nfs/dbraw/zinc/19/95/99/379199599.db2.gz	SBUVUQCCIKSACL-IAQYHMDHSA-N	0	1	333.348	-0.181	40	0		EBABMN
COc1ccc(S(=O)(=O)NCCN[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575426705	382112534	/nfs/dbraw/zinc/11/25/34/382112534.db2.gz	YMGVSPLDZDSYCV-LLVKDONJSA-N	0	1	348.446	-0.250	40	0		EBABMN
CC(=O)N1CCN(C[C@@]2(O)CCCN(C(=O)c3c[nH]cn3)CC2)CC1	ZINC000257326428	419302352	/nfs/dbraw/zinc/30/23/52/419302352.db2.gz	WXEADQDFASHCMM-QGZVFWFLSA-N	0	1	349.435	-0.069	40	0		EBABMN
O=C(NC[C@]1(O)COCCN(Cc2cnc[nH]2)C1)c1ccccn1	ZINC000257331860	419304075	/nfs/dbraw/zinc/30/40/75/419304075.db2.gz	XUOTWBQBZYDFLA-MRXNPFEDSA-N	0	1	331.376	-0.202	40	0		EBABMN
CN1CCN(CCNc2cc(C(F)(F)F)nc(NCCO)n2)CC1	ZINC000328970334	419507818	/nfs/dbraw/zinc/50/78/18/419507818.db2.gz	DJAZCBUQBXDLMQ-UHFFFAOYSA-N	0	1	348.373	-0.597	40	0		EBABMN
CC(=O)OC[C@@H]1O[C@@H](N)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000068603009	278219315	/nfs/dbraw/zinc/21/93/15/278219315.db2.gz	LMVYBLMOENOGGK-HTVCTNPSSA-N	0	1	347.320	-0.972	40	0		EBABMN
COc1ncccc1C(=O)N1CC[C@](O)(CN2CCN(C)CC2)C1	ZINC000257236936	537152454	/nfs/dbraw/zinc/15/24/54/537152454.db2.gz	HEKGZIRTCGKOBB-KRWDZBQOSA-N	0	1	334.420	-0.085	40	0		EBABMN
CN(C)c1ncc(C(=O)N2CC[C@@](O)(CN3CCN(C)CC3)C2)cn1	ZINC000257261019	244348231	/nfs/dbraw/zinc/34/82/31/244348231.db2.gz	LFLCATPXLPLMCV-QGZVFWFLSA-N	0	1	348.451	-0.633	40	0		EBABMN
Nc1[nH+]cnc2c1ccn2[C@@H]1O[C@H]2CO[P@](=O)([O-])O[C@@H]2[C@H]1O	ZINC000004824677	375899481	/nfs/dbraw/zinc/89/94/81/375899481.db2.gz	LCYHXWIEMRESTK-MCHASIABSA-N	0	1	328.221	-0.212	40	0		EBABMN
Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(CCO)CCN3C)n[nH]1	ZINC000096230107	376496518	/nfs/dbraw/zinc/49/65/18/376496518.db2.gz	BLRPTEOOEHHGPT-UHFFFAOYSA-N	0	1	335.408	-0.541	40	0		EBABMN
CN(C)S(=O)(=O)N1CC[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]2C1	ZINC000096246235	376499511	/nfs/dbraw/zinc/49/95/11/376499511.db2.gz	YMXBBUKFDGOPSG-ZIAGYGMSSA-N	0	1	327.454	-0.020	40	0		EBABMN
CN1CCN(C[C@@]2(O)CN(C(=O)Cc3ccccc3)CC[C@@H]2O)CC1	ZINC000585282308	376520981	/nfs/dbraw/zinc/52/09/81/376520981.db2.gz	DDBRDXNBRNXGJD-PKOBYXMFSA-N	0	1	347.459	-0.199	40	0		EBABMN
Cn1c(=O)cc(NC(=O)CN2CCC[C@H]2Cn2cccn2)n(C)c1=O	ZINC000100787038	376533909	/nfs/dbraw/zinc/53/39/09/376533909.db2.gz	KSWPBWQYODVUEU-LBPRGKRZSA-N	0	1	346.391	-0.616	40	0		EBABMN
Cc1cc2ncc(CN(C)C)c([C@@H]3CN(CC(N)=O)CCO3)n2n1	ZINC000257279601	379195713	/nfs/dbraw/zinc/19/57/13/379195713.db2.gz	OHILPUFMPJELTP-ZDUSSCGKSA-N	0	1	332.408	-0.042	40	0		EBABMN
COc1ccc(S(=O)(=O)NCCN[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575426706	382112103	/nfs/dbraw/zinc/11/21/03/382112103.db2.gz	YMGVSPLDZDSYCV-NSHDSACASA-N	0	1	348.446	-0.250	40	0		EBABMN
CN1CCN(C[C@@H]2OC[C@H](NC(=O)c3cccs3)[C@H]2O)CC1	ZINC000514288905	419059535	/nfs/dbraw/zinc/05/95/35/419059535.db2.gz	LHCLPIHRCCURBS-SGMGOOAPSA-N	0	1	325.434	-0.146	40	0	biogenic,in-vitro	EBABMN
CC(=O)N1CCN(C[C@]2(O)CCCN(C(=O)c3c[nH]cn3)CC2)CC1	ZINC000257326427	419302204	/nfs/dbraw/zinc/30/22/04/419302204.db2.gz	WXEADQDFASHCMM-KRWDZBQOSA-N	0	1	349.435	-0.069	40	0		EBABMN
Cc1cc(C)n(CC(=O)N2CC[C@](O)(CN3CCN(C)CC3)C2)n1	ZINC000257340922	419304192	/nfs/dbraw/zinc/30/41/92/419304192.db2.gz	ZICXJGXPBFTZMY-KRWDZBQOSA-N	0	1	335.452	-0.289	40	0		EBABMN
NC(=O)[C@@H]1CN(C(=O)C2=NC(=O)NC2)CCN1Cc1ccccc1	ZINC000257257418	244285292	/nfs/dbraw/zinc/28/52/92/244285292.db2.gz	KPNDJQUZIGQRPQ-ZDUSSCGKSA-N	0	1	329.360	-0.073	40	0		EBABMN
CS(=O)(=O)NCCNC(=O)[C@H]1CN(c2ccc(F)cc2)CCN1	ZINC000257305859	244476409	/nfs/dbraw/zinc/47/64/09/244476409.db2.gz	SRWLHOORBZVRKZ-CYBMUJFWSA-N	0	1	344.412	-0.731	40	0		EBABMN
CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccn[nH]3)C2)CN1CC1CC1	ZINC000575405244	377087050	/nfs/dbraw/zinc/08/70/50/377087050.db2.gz	HCCNZDAGJAWXDF-ZDUSSCGKSA-N	0	1	333.392	-0.539	40	0		EBABMN
CN1CCN(C(=O)c2n[nH]c(=O)c3ccccc32)C[C@@H](C(N)=O)C1	ZINC000257291560	379194514	/nfs/dbraw/zinc/19/45/14/379194514.db2.gz	QHNPLQQFSIUGJW-JTQLQIEISA-N	0	1	329.360	-0.588	40	0		EBABMN
CC(=O)N1CCN(C(=O)c2[nH]nc3ccccc32)C[C@H](C(N)=O)C1	ZINC000257280577	379196230	/nfs/dbraw/zinc/19/62/30/379196230.db2.gz	OLLGIUIJBADMKG-LLVKDONJSA-N	0	1	329.360	-0.031	40	0		EBABMN
CNC(=O)[C@@H]1CN(C(C)=O)CCN(C(=O)c2ccc3[nH]nnc3c2)C1	ZINC000257304447	379198585	/nfs/dbraw/zinc/19/85/85/379198585.db2.gz	SLRJHXZTPKPQMM-GFCCVEGCSA-N	0	1	344.375	-0.376	40	0		EBABMN
COc1ccc(CN[C@@H]2CO[C@H](CNS(C)(=O)=O)[C@H]2O)cc1	ZINC000077264532	381191855	/nfs/dbraw/zinc/19/18/55/381191855.db2.gz	CTKMXOJSJWMBQC-MCIONIFRSA-N	0	1	330.406	-0.538	40	0	biogenic,in-vitro	EBABMN
CN1CCN(C[C@@H]2OC[C@H](NC(=O)c3cccc(F)c3)[C@H]2O)CC1	ZINC000514289345	419059977	/nfs/dbraw/zinc/05/99/77/419059977.db2.gz	QTALSXIAGPISOW-HRCADAONSA-N	0	1	337.395	-0.069	40	0	biogenic,in-vitro	EBABMN
O=S(=O)(N1CCC[C@H]1c1cc(CCO)[nH]n1)N1CCOCC1	ZINC000072385323	216185497	/nfs/dbraw/zinc/18/54/97/216185497.db2.gz	OOZCRYHBIPBBJF-ZDUSSCGKSA-N	0	1	330.410	-0.342	40	0		EBABMN
COc1ccc([C@@H]2CNCCN2C(=O)CN2C(=O)CNC2=O)cc1	ZINC000257205645	244134200	/nfs/dbraw/zinc/13/42/00/244134200.db2.gz	AZZPWRQKSZBFNV-ZDUSSCGKSA-N	0	1	332.360	-0.280	40	0		EBABMN
COc1cccc(CN2C[C@@H](O)[C@](O)(CNC(=O)c3cnc[nH]3)C2)c1	ZINC000257265571	244360748	/nfs/dbraw/zinc/36/07/48/244360748.db2.gz	LZFUUNLNRFXOHW-WBVHZDCISA-N	0	1	346.387	-0.244	40	0		EBABMN
CNC(=O)C[C@]1(O)COCCN(Cc2cccc(OCCO)c2)C1	ZINC000585280527	376521304	/nfs/dbraw/zinc/52/13/04/376521304.db2.gz	JVFXLUCGHZJTFI-QGZVFWFLSA-N	0	1	338.404	-0.243	40	0		EBABMN
COCC[N@H+]1C[C@H]2CN(c3ncc(C)cn3)CCN2C[C@H](C(=O)[O-])C1	ZINC000107768811	285063513	/nfs/dbraw/zinc/06/35/13/285063513.db2.gz	YMBHGQUSHLYLHW-CABCVRRESA-N	0	1	349.435	-0.062	40	0		EBABMN
COCCN1C[C@H]2CN(c3ncc(C)cn3)CC[N@@H+]2C[C@H](C(=O)[O-])C1	ZINC000107768811	285063516	/nfs/dbraw/zinc/06/35/16/285063516.db2.gz	YMBHGQUSHLYLHW-CABCVRRESA-N	0	1	349.435	-0.062	40	0		EBABMN
COCCN1C[C@H]2CN(c3ncc(C)cn3)CC[N@H+]2C[C@H](C(=O)[O-])C1	ZINC000107768811	285063518	/nfs/dbraw/zinc/06/35/18/285063518.db2.gz	YMBHGQUSHLYLHW-CABCVRRESA-N	0	1	349.435	-0.062	40	0		EBABMN
CNC(=O)[C@H]1CN(C)CCN(C(=O)c2ccc3oc(=O)n(C)c3c2)C1	ZINC000257331023	419304039	/nfs/dbraw/zinc/30/40/39/419304039.db2.gz	XRBLWAFLLXRADJ-LBPRGKRZSA-N	0	1	346.387	-0.119	40	0		EBABMN
CN1[C@@H](C(=O)N2CCN(C)CC2)C[C@@H]2CN(c3ncc(F)cn3)C[C@@H]21	ZINC000096182587	277214196	/nfs/dbraw/zinc/21/41/96/277214196.db2.gz	MHDTXBUWAIBKOW-YUELXQCFSA-N	0	1	348.426	-0.101	40	0		EBABMN
CC(=O)N1CC[N@@H+](Cc2ccccc2OCC(=O)[O-])C[C@@H](C(N)=O)C1	ZINC000257276463	534793790	/nfs/dbraw/zinc/79/37/90/534793790.db2.gz	NTVDQWRTLUPWPM-CQSZACIVSA-N	0	1	349.387	-0.084	40	0		EBABMN
COCC(=O)NC[C@]1(O)CCN(Cc2ccccc2OC)C[C@H]1O	ZINC000257206217	244134539	/nfs/dbraw/zinc/13/45/39/244134539.db2.gz	BCLNFIHVTORNFN-NVXWUHKLSA-N	0	1	338.404	-0.245	40	0		EBABMN
COc1ccc(-n2cnc3c2NC(C)(C)N=C3C(N)=O)c(OC)c1	ZINC000001855300	375878856	/nfs/dbraw/zinc/87/88/56/375878856.db2.gz	GYQLJHYJRGNLDE-UHFFFAOYSA-N	0	1	329.360	-0.558	40	0		EBABMN
CCS(=O)(=O)N1CCn2cc(CN3CCN(C)CC3)nc2C1	ZINC000096059429	376487805	/nfs/dbraw/zinc/48/78/05/376487805.db2.gz	KFTRZNNPQOUMDI-UHFFFAOYSA-N	0	1	327.454	-0.204	40	0		EBABMN
CC(=O)N1CCC(N2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)CC1	ZINC000257294823	379198212	/nfs/dbraw/zinc/19/82/12/379198212.db2.gz	QVWRJMAAVMBLDL-HZPDHXFCSA-N	0	1	332.404	-0.133	40	0		EBABMN
CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cnc[nH]3)C2)C1=O	ZINC000225385078	420901672	/nfs/dbraw/zinc/90/16/72/420901672.db2.gz	ITKKHRZDZLNLLM-KGLIPLIRSA-N	0	1	347.419	-0.432	40	0	biogenic,in-vitro	EBABMN
O=C([O-])[C@@H](Cc1cnc[nH]1)[NH2+]Cc1cnc(N2CCOCC2)nc1	ZINC000218760276	241344067	/nfs/dbraw/zinc/34/40/67/241344067.db2.gz	ZRYRQWNSUMYAEP-CYBMUJFWSA-N	0	1	332.364	-0.178	40	0		EBABMN
CS(=O)(=O)NCC(=O)N1CCO[C@@H](CCc2ccnc(N)c2)C1	ZINC000257203702	244126101	/nfs/dbraw/zinc/12/61/01/244126101.db2.gz	ARGLIZHHAWJRRS-LBPRGKRZSA-N	0	1	342.421	-0.627	40	0		EBABMN
CO[C@H]1OC[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000004946204	375901024	/nfs/dbraw/zinc/90/10/24/375901024.db2.gz	DILDOLIPDSTMHT-KYXWUPHJSA-N	0	1	343.254	-0.100	40	0		EBABMN
Nc1[nH+]cnc2c1ccn2[C@H]1O[C@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O	ZINC000004824678	210289339	/nfs/dbraw/zinc/28/93/39/210289339.db2.gz	LCYHXWIEMRESTK-UGYAYLCHSA-N	0	1	328.221	-0.212	40	0		EBABMN
CS(=O)(=O)NC[C@]1(O)CN(Cc2ccc3cc[nH]c3c2)C[C@H]1O	ZINC000257321089	419302960	/nfs/dbraw/zinc/30/29/60/419302960.db2.gz	WAAYQRORZAJGHF-CABCVRRESA-N	0	1	339.417	-0.375	40	0		EBABMN
Cc1cccc(CN2CC[C@]3(C2)Cn2c(=O)c(=O)n(C)nc2CO3)n1	ZINC000306139807	419407307	/nfs/dbraw/zinc/40/73/07/419407307.db2.gz	UBHXPVJFFBLEAJ-KRWDZBQOSA-N	0	1	343.387	-0.180	40	0		EBABMN
CC(=O)OC[C@@H]1O[C@@H](N)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000031750022	278219214	/nfs/dbraw/zinc/21/92/14/278219214.db2.gz	LMVYBLMOENOGGK-ZUWCUPBKSA-N	0	1	347.320	-0.972	40	0		EBABMN
O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCCC1)N1CCOCC1	ZINC000020465683	212134509	/nfs/dbraw/zinc/13/45/09/212134509.db2.gz	KMKUXKWHHGYRTE-CBBWQLFWSA-N	0	1	343.424	-0.997	40	0	biogenic,in-vitro	EBABMN
CCCS(=O)(=O)N1CC[C@@](O)(CN2CCC(NC(C)=O)CC2)C1	ZINC000257216715	244171758	/nfs/dbraw/zinc/17/17/58/244171758.db2.gz	CVUBEEZMMFGTIG-OAHLLOKOSA-N	0	1	347.481	-0.237	40	0		EBABMN
COCC(=O)NC[C@]1(O)CCN(Cc2ccc(OC)cc2)C[C@H]1O	ZINC000257321168	244517682	/nfs/dbraw/zinc/51/76/82/244517682.db2.gz	WAJVSOLODSPCSG-NVXWUHKLSA-N	0	1	338.404	-0.245	40	0		EBABMN
Cn1c2[n-]c(-[n+]3ccc(N4CCOCC4)cc3)nc2c(=O)n(C)c1=O	ZINC000017064365	375998863	/nfs/dbraw/zinc/99/88/63/375998863.db2.gz	FMNCDWXSJPIPIK-UHFFFAOYSA-O	0	1	343.367	-0.926	40	0		EBABMN
CCCn1c(CN2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000096306389	376497577	/nfs/dbraw/zinc/49/75/77/376497577.db2.gz	ALOBKOIUKXANOD-UHFFFAOYSA-N	0	1	334.424	-0.409	40	0		EBABMN
O=C(c1ccn[nH]1)N1CCCn2c(CN3CCOCC3)nnc2C1	ZINC000096259705	376499181	/nfs/dbraw/zinc/49/91/81/376499181.db2.gz	MNDUVILGZQGXJB-UHFFFAOYSA-N	0	1	331.380	-0.121	40	0		EBABMN
CN1CCN(Cc2cn3c(n2)CN(S(=O)(=O)C2CC2)CC3)CC1	ZINC000096059430	376487089	/nfs/dbraw/zinc/48/70/89/376487089.db2.gz	RKBCKBGJJYPRRE-UHFFFAOYSA-N	0	1	339.465	-0.062	40	0		EBABMN
CCOC(=O)[C@@H]1CCCN(CC(=O)N2CCC(C(N)=O)CC2)C1	ZINC000017066623	377525162	/nfs/dbraw/zinc/52/51/62/377525162.db2.gz	IVPKRLSIMFTXJY-CYBMUJFWSA-N	0	1	325.409	-0.015	40	0		EBABMN
COCC(=O)N1C[C@@H]2COCCN2C2(CN(Cc3cnc[nH]3)C2)C1	ZINC000604381972	378449857	/nfs/dbraw/zinc/44/98/57/378449857.db2.gz	XDWCMVOWSNSYTR-CQSZACIVSA-N	0	1	335.408	-0.847	40	0	biogenic,in-vitro	EBABMN
CN(C)C(=O)[C@@H]1CN(Cc2cnc[nH]2)CCN(S(C)(=O)=O)C1	ZINC000257291384	379194268	/nfs/dbraw/zinc/19/42/68/379194268.db2.gz	QGSJHEKXWBEKTJ-LLVKDONJSA-N	0	1	329.426	-0.809	40	0		EBABMN
COCC[N@H+]1C[C@@H]2CN(c3ncc(C)cn3)CCN2C[C@@H](C(=O)[O-])C1	ZINC000253601946	285061942	/nfs/dbraw/zinc/06/19/42/285061942.db2.gz	YMBHGQUSHLYLHW-LSDHHAIUSA-N	0	1	349.435	-0.062	40	0		EBABMN
COCCN1C[C@@H]2CN(c3ncc(C)cn3)CC[N@@H+]2C[C@@H](C(=O)[O-])C1	ZINC000253601946	285061944	/nfs/dbraw/zinc/06/19/44/285061944.db2.gz	YMBHGQUSHLYLHW-LSDHHAIUSA-N	0	1	349.435	-0.062	40	0		EBABMN
COCCN1C[C@@H]2CN(c3ncc(C)cn3)CC[N@H+]2C[C@@H](C(=O)[O-])C1	ZINC000253601946	285061947	/nfs/dbraw/zinc/06/19/47/285061947.db2.gz	YMBHGQUSHLYLHW-LSDHHAIUSA-N	0	1	349.435	-0.062	40	0		EBABMN
O=C(c1cc(-c2cccnc2)[nH]n1)N1C[C@@H](O)[C@H](N2CCOCC2)C1	ZINC000257325029	419302281	/nfs/dbraw/zinc/30/22/81/419302281.db2.gz	WRDVPXHPXFFOFE-HZPDHXFCSA-N	0	1	343.387	-0.011	40	0		EBABMN
CC(=O)NC1CCN(C[C@@]2(O)CCN(S(=O)(=O)C(C)C)C2)CC1	ZINC000257315193	419302361	/nfs/dbraw/zinc/30/23/61/419302361.db2.gz	VAISZZMOWTUORO-HNNXBMFYSA-N	0	1	347.481	-0.238	40	0		EBABMN
C[C@@]1(O)CCN(C(=O)c2cnc[nH]2)C[C@H]1n1cnc2c1ncnc2N	ZINC000257324672	419302938	/nfs/dbraw/zinc/30/29/38/419302938.db2.gz	WPQTWPOQDYUYBL-MEBBXXQBSA-N	0	1	342.363	-0.030	40	0		EBABMN
Cc1c(CCC(=O)N2CC[C@](O)(CN3CCN(C)CC3)C2)cnn1C	ZINC000257210016	419302993	/nfs/dbraw/zinc/30/29/93/419302993.db2.gz	BSUBCPSAKWZTQV-SFHVURJKSA-N	0	1	349.479	-0.128	40	0		EBABMN
CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](NC(=O)CCC(=O)[O-])[C@H]2O)CC1	ZINC000257268597	278043812	/nfs/dbraw/zinc/04/38/12/278043812.db2.gz	MMJPXAUDEOWEGC-LALPHHSUSA-N	0	1	327.381	-0.977	40	0		EBABMN
NC(=O)C1CCN(CC(=O)N2CC[C@H](O)[C@]3(CCCO3)C2)CC1	ZINC000257344290	244580163	/nfs/dbraw/zinc/58/01/63/244580163.db2.gz	ZWMFJURAPMIFEY-BBRMVZONSA-N	0	1	325.409	-0.674	40	0		EBABMN
CCS(=O)(=O)N1CC[C@H]2CO[C@H](CN3CCN(C)CC3)[C@H]2C1	ZINC000096056267	376487173	/nfs/dbraw/zinc/48/71/73/376487173.db2.gz	WRWVCEYGKGRIQG-SOUVJXGZSA-N	0	1	331.482	-0.080	40	0		EBABMN
CCCCc1ncc(CN2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)[nH]1	ZINC000585291588	376527006	/nfs/dbraw/zinc/52/70/06/376527006.db2.gz	QKZWEHZFLHNEFU-INMHGKMJSA-N	0	1	338.452	-0.010	40	0		EBABMN
CN1CC2(CN(C(=O)c3ccn[nH]3)C2)OC[C@H]1C(=O)NC1CCCC1	ZINC000575406912	377090838	/nfs/dbraw/zinc/09/08/38/377090838.db2.gz	XXOOCUZTGWNWAF-AWEZNQCLSA-N	0	1	347.419	-0.006	40	0		EBABMN
CNC(=O)[C@H]1CN(C(C)=O)CCN(C(=O)c2ccc3[nH]nnc3c2)C1	ZINC000257304448	379197648	/nfs/dbraw/zinc/19/76/48/379197648.db2.gz	SLRJHXZTPKPQMM-LBPRGKRZSA-N	0	1	344.375	-0.376	40	0		EBABMN
CCN(CC)C(=O)CN1CC[C@@]2(NC(C)=O)CN(C(C)=O)C[C@H]2C1	ZINC000019713042	381198161	/nfs/dbraw/zinc/19/81/61/381198161.db2.gz	SDPZAQWQDKGKAS-NVXWUHKLSA-N	0	1	338.452	-0.086	40	0		EBABMN
CC(=O)OC[C@H]1O[C@H](N)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000083261403	277093527	/nfs/dbraw/zinc/09/35/27/277093527.db2.gz	LMVYBLMOENOGGK-RGDJUOJXSA-N	0	1	347.320	-0.972	40	0		EBABMN
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ccn[nH]2)C[C@H]1O	ZINC000257236374	534896142	/nfs/dbraw/zinc/89/61/42/534896142.db2.gz	HBWUJLHONVPYGK-YUSALJHKSA-N	0	1	340.380	-0.129	40	0		EBABMN
CC(=O)NCc1cnc([C@@H]2CN(CC3(O)CCOCC3)CCO2)[nH]1	ZINC000257224004	244195922	/nfs/dbraw/zinc/19/59/22/244195922.db2.gz	DZWVYWODTVONHI-AWEZNQCLSA-N	0	1	338.408	-0.039	40	0		EBABMN
NC(=O)C1CCN(CC(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)CC1	ZINC000257237883	244236212	/nfs/dbraw/zinc/23/62/12/244236212.db2.gz	HIQIECWBTGNQFY-BBRMVZONSA-N	0	1	325.409	-0.674	40	0		EBABMN
Cn1c(=O)cnn(CCCCN2CCN(c3ncccn3)CC2)c1=O	ZINC000002003628	375878212	/nfs/dbraw/zinc/87/82/12/375878212.db2.gz	NMYAHEULKSYAPP-UHFFFAOYSA-N	0	1	345.407	-0.666	40	0	in-man	EBABMN
CC(=O)N1CCN(C(=O)c2[nH]nc3ccccc32)C[C@@H](C(N)=O)C1	ZINC000257280578	379195925	/nfs/dbraw/zinc/19/59/25/379195925.db2.gz	OLLGIUIJBADMKG-NSHDSACASA-N	0	1	329.360	-0.031	40	0		EBABMN
CN1CCN(C(=O)c2n[nH]c(=O)c3ccccc32)C[C@H](C(N)=O)C1	ZINC000257291561	379195990	/nfs/dbraw/zinc/19/59/90/379195990.db2.gz	QHNPLQQFSIUGJW-SNVBAGLBSA-N	0	1	329.360	-0.588	40	0		EBABMN
COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C(C)=O)nn1	ZINC000008299747	419017709	/nfs/dbraw/zinc/01/77/09/419017709.db2.gz	JPWNPEZKASPHJF-MCIONIFRSA-N	0	1	335.408	-0.046	40	0	biogenic,in-vitro	EBABMN
CC(=O)OC[C@@H]1O[C@H](N)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000245239671	278219697	/nfs/dbraw/zinc/21/96/97/278219697.db2.gz	LMVYBLMOENOGGK-YHQUGGNUSA-N	0	1	347.320	-0.972	40	0		EBABMN
NC(=O)CN1C(=O)CO[C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3)C[C@H]21	ZINC000067897669	295045003	/nfs/dbraw/zinc/04/50/03/295045003.db2.gz	IYPWSTTYNKRTDT-OLZOCXBDSA-N	0	1	333.344	-0.718	40	0	biogenic,in-vitro	EBABMN
NC(=O)CN1C(=O)CO[C@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3)C[C@H]21	ZINC000067897669	295045005	/nfs/dbraw/zinc/04/50/05/295045005.db2.gz	IYPWSTTYNKRTDT-OLZOCXBDSA-N	0	1	333.344	-0.718	40	0	biogenic,in-vitro	EBABMN
O=S(=O)(N1CCOCC1)N1CCC[C@H](c2cc(CO)n[nH]2)C1	ZINC000072363992	216171389	/nfs/dbraw/zinc/17/13/89/216171389.db2.gz	ZVXRUIMQSFZMEH-NSHDSACASA-N	0	1	330.410	-0.342	40	0		EBABMN
O=C(NC[C@]1(O)CN(Cc2cccs2)C[C@H]1O)c1cnccn1	ZINC000257250123	244267834	/nfs/dbraw/zinc/26/78/34/244267834.db2.gz	JLCZTXZFPCSMRV-HIFRSBDPSA-N	0	1	334.401	-0.124	40	0		EBABMN
CC(=O)N1CCC(N2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)CC1	ZINC000257258492	244290483	/nfs/dbraw/zinc/29/04/83/244290483.db2.gz	KUFYSHOLHLBWTK-TZMCWYRMSA-N	0	1	338.433	-0.071	40	0		EBABMN
CN(C)S(=O)(=O)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1	ZINC000257259967	244293017	/nfs/dbraw/zinc/29/30/17/244293017.db2.gz	LAUPWDDEBNYLSW-LLVKDONJSA-N	0	1	327.397	-0.039	40	0		EBABMN
COCc1cn(C[C@H]2C[C@H]3CC[N@H+]2C[C@@H]3C(=O)N2CCOCC2)nn1	ZINC000008298082	375920365	/nfs/dbraw/zinc/92/03/65/375920365.db2.gz	LNBSKKFTXYRUKH-BMFZPTHFSA-N	0	1	349.435	-0.006	40	0	biogenic,in-vitro	EBABMN
CN1CCN(C[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)CC1	ZINC000585284668	376522083	/nfs/dbraw/zinc/52/20/83/376522083.db2.gz	UWDUIBSXUHFAHO-HKUYNNGSSA-N	0	1	347.459	-0.199	40	0		EBABMN
C[C@@]1(C(=O)N2CCOCC2)CN(CC2(O)CCOCC2)CCO1	ZINC000257297571	379199522	/nfs/dbraw/zinc/19/95/22/379199522.db2.gz	RHWDGSXFPJDMNZ-HNNXBMFYSA-N	0	1	328.409	-0.522	40	0		EBABMN
CC(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCC(O)CC1	ZINC000257325186	419302183	/nfs/dbraw/zinc/30/21/83/419302183.db2.gz	WRWHWTZLMZHNAU-NCOADZHNSA-N	0	1	335.404	-0.076	40	0		EBABMN
CC(=O)Nc1[nH]n(-c2ccccc2)c(=O)c1S[C@@H]1N=NC(N)N1	ZINC000100998420	219113766	/nfs/dbraw/zinc/11/37/66/219113766.db2.gz	CATQSCBLYQYPDS-ZANVPECISA-N	0	1	333.377	-0.709	40	0		EBABMN
CC(=O)N1CCN(C[C@]2(O)CCCN(C(=O)c3ncc[nH]3)CC2)CC1	ZINC000257212507	244158122	/nfs/dbraw/zinc/15/81/22/244158122.db2.gz	CDSQFOATSFZEOR-KRWDZBQOSA-N	0	1	349.435	-0.069	40	0		EBABMN
O=C(NC[C@@]1(O)COCCN(C(=O)c2ccn[nH]2)C1)c1ccccn1	ZINC000257224136	244195617	/nfs/dbraw/zinc/19/56/17/244195617.db2.gz	FALZBKBNYACFOQ-INIZCTEOSA-N	0	1	345.359	-0.562	40	0		EBABMN
CN1CCN(C(=O)c2ccc(-n3cccn3)nc2)C[C@H](C(N)=O)C1	ZINC000257235807	244230030	/nfs/dbraw/zinc/23/00/30/244230030.db2.gz	GZOVLYLOQMJQHI-CYBMUJFWSA-N	0	1	328.376	-0.244	40	0		EBABMN
CCOC(=O)N1CCC(O)(CN2CCO[C@](C)(C(N)=O)C2)CC1	ZINC000585284060	376521730	/nfs/dbraw/zinc/52/17/30/376521730.db2.gz	RBFXYACAQBODBB-AWEZNQCLSA-N	0	1	329.397	-0.454	40	0		EBABMN
Cn1nccc1C(=O)NC[C@H]1CO[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@H]12	ZINC000575406571	377088372	/nfs/dbraw/zinc/08/83/72/377088372.db2.gz	YKJSUHPORXNIDX-MISXGVKJSA-N	0	1	344.375	-0.340	40	0		EBABMN
COCCNC(=O)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1	ZINC000008298004	379756349	/nfs/dbraw/zinc/75/63/49/379756349.db2.gz	YNQJWRDDBUDAQZ-CFVMTHIKSA-N	0	1	337.424	-0.714	40	0	biogenic,in-vitro	EBABMN
Cc1nnc(SCCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)[nH]1	ZINC000222557384	419247594	/nfs/dbraw/zinc/24/75/94/419247594.db2.gz	PRBDVYUWCLAZIJ-JTQLQIEISA-N	0	1	347.466	-0.007	40	0		EBABMN
CS(=O)(=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1	ZINC000224323971	419861177	/nfs/dbraw/zinc/86/11/77/419861177.db2.gz	VUJFNGNPACONOA-UHFFFAOYSA-N	0	1	327.410	-0.605	40	0		EBABMN
COCc1cn(C[C@H]2C[C@@H](NCc3nccn3C)[C@H](O)[C@@H]2O)nn1	ZINC000225501915	420931462	/nfs/dbraw/zinc/93/14/62/420931462.db2.gz	ZWTSJFGLSVKMKX-LTZCYQRMSA-N	0	1	336.396	-0.942	40	0	biogenic,in-vitro	EBABMN
CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](N(C)C(=O)CCC(=O)[O-])[C@H]2O)CC1	ZINC000257250688	278043907	/nfs/dbraw/zinc/04/39/07/278043907.db2.gz	JNNWJBXWYJYOGR-XJKCOSOUSA-N	0	1	341.408	-0.634	40	0		EBABMN
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000020310482	278219886	/nfs/dbraw/zinc/21/98/86/278219886.db2.gz	ZRAWPYYLRZSVEU-ITGHMWBKSA-N	0	1	347.320	-0.972	40	0		EBABMN
O=C([O-])c1cccc(N2C(=O)C[C@@H](N3CC[NH+](CCO)CC3)C2=O)c1	ZINC000100856796	219109653	/nfs/dbraw/zinc/10/96/53/219109653.db2.gz	CMPQGJNQWHTXNX-CQSZACIVSA-N	0	1	347.371	-0.373	40	0		EBABMN
C[C@@]1(O)CN(C(=O)CN2CCCC2)CC[C@H]1n1ccc(=O)[nH]c1=O	ZINC000257227418	244205166	/nfs/dbraw/zinc/20/51/66/244205166.db2.gz	FPEAPNULDHMVMM-MLGOLLRUSA-N	0	1	336.392	-0.431	40	0		EBABMN
O=C(CCO)N1CC2(C1)CN(Cc1ccccc1)C[C@H]1C[C@@H](O)CN12	ZINC000514288551	419058763	/nfs/dbraw/zinc/05/87/63/419058763.db2.gz	CJOBHSMOLCBTPB-IAGOWNOFSA-N	0	1	345.443	-0.099	40	0	biogenic,in-vitro	EBABMN
CC(=O)NCc1cnc([C@H]2CN(CC3(O)CCOCC3)CCO2)[nH]1	ZINC000257224005	244194542	/nfs/dbraw/zinc/19/45/42/244194542.db2.gz	DZWVYWODTVONHI-CQSZACIVSA-N	0	1	338.408	-0.039	40	0		EBABMN
C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CC(=O)[O-])n(C)c1=O	ZINC000010336999	375942924	/nfs/dbraw/zinc/94/29/24/375942924.db2.gz	WWXBOPHRWIZGCU-SNAWJCMRSA-N	0	1	346.347	-0.247	40	0		EBABMN
COCCNC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1	ZINC000008298002	376373848	/nfs/dbraw/zinc/37/38/48/376373848.db2.gz	YNQJWRDDBUDAQZ-YUELXQCFSA-N	0	1	337.424	-0.714	40	0	biogenic,in-vitro	EBABMN
Cc1cc(C(=O)N2CC[C@@H]3OCCN(S(C)(=O)=O)[C@H]3C2)n[nH]1	ZINC000108527956	376591556	/nfs/dbraw/zinc/59/15/56/376591556.db2.gz	AOGRXQBOGVQPHB-RYUDHWBXSA-N	0	1	328.394	-0.407	40	0		EBABMN
CC(C)C(=O)Nc1nc2c(ncn2[C@H]2CNC[C@@H](CO)O2)c(=O)[nH]1	ZINC000137233931	377015036	/nfs/dbraw/zinc/01/50/36/377015036.db2.gz	FFZQMPPIBVPMCZ-DTWKUNHWSA-N	0	1	336.352	-0.807	40	0		EBABMN
CCOC(=O)[C@H]1CCCN(CC(=O)N2CCC(C(N)=O)CC2)C1	ZINC000017066624	377525632	/nfs/dbraw/zinc/52/56/32/377525632.db2.gz	IVPKRLSIMFTXJY-ZDUSSCGKSA-N	0	1	325.409	-0.015	40	0		EBABMN
COCC[N@H+]1C[C@H]2CN(c3ncc(C)cn3)CCN2C[C@@H](C(=O)[O-])C1	ZINC000253601944	285063488	/nfs/dbraw/zinc/06/34/88/285063488.db2.gz	YMBHGQUSHLYLHW-GJZGRUSLSA-N	0	1	349.435	-0.062	40	0		EBABMN
COCCN1C[C@H]2CN(c3ncc(C)cn3)CC[N@@H+]2C[C@@H](C(=O)[O-])C1	ZINC000253601944	285063490	/nfs/dbraw/zinc/06/34/90/285063490.db2.gz	YMBHGQUSHLYLHW-GJZGRUSLSA-N	0	1	349.435	-0.062	40	0		EBABMN
COCCN1C[C@H]2CN(c3ncc(C)cn3)CC[N@H+]2C[C@@H](C(=O)[O-])C1	ZINC000253601944	285063494	/nfs/dbraw/zinc/06/34/94/285063494.db2.gz	YMBHGQUSHLYLHW-GJZGRUSLSA-N	0	1	349.435	-0.062	40	0		EBABMN
CNC(=O)c1cnc(C[C@@H]2COCCN(C(=O)c3ccn[nH]3)C2)cn1	ZINC000072382808	563966451	/nfs/dbraw/zinc/96/64/51/563966451.db2.gz	JQCQIHIVWBGUOW-NSHDSACASA-N	0	1	344.375	-0.109	40	0		EBABMN
O=S(=O)(N1CC[C@@H](c2cc(CCO)n[nH]2)C1)N1CCOCC1	ZINC000072385325	216185440	/nfs/dbraw/zinc/18/54/40/216185440.db2.gz	SZQZMAPUZUTIAM-LLVKDONJSA-N	0	1	330.410	-0.689	40	0		EBABMN
CCCS(=O)(=O)N1CC[C@](O)(CN2CCC(NC(C)=O)CC2)C1	ZINC000257216714	244172178	/nfs/dbraw/zinc/17/21/78/244172178.db2.gz	CVUBEEZMMFGTIG-HNNXBMFYSA-N	0	1	347.481	-0.237	40	0		EBABMN
CN1CCN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@H](C(N)=O)C1	ZINC000257229498	244207278	/nfs/dbraw/zinc/20/72/78/244207278.db2.gz	FYILNHFHCDLZTH-CYBMUJFWSA-N	0	1	328.376	-0.244	40	0		EBABMN
NC(=O)[C@H]1CN(C(=O)C2=NC(=O)NC2)CCN1Cc1ccccc1	ZINC000257257417	244283376	/nfs/dbraw/zinc/28/33/76/244283376.db2.gz	KPNDJQUZIGQRPQ-CYBMUJFWSA-N	0	1	329.360	-0.073	40	0		EBABMN
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](N)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000025628463	376349975	/nfs/dbraw/zinc/34/99/75/376349975.db2.gz	ZRAWPYYLRZSVEU-HTVCTNPSSA-N	0	1	347.320	-0.972	40	0		EBABMN
CN(C)CC(=O)N1CCOC[C@@H]1c1nccc(N2CCOCC2)n1	ZINC000096218867	376496634	/nfs/dbraw/zinc/49/66/34/376496634.db2.gz	JOYWFZMXWDFPNB-CYBMUJFWSA-N	0	1	335.408	-0.225	40	0		EBABMN
CO[C@@]1(CC(N)=O)COCCN(C(=O)CN2CCC(C)CC2)C1	ZINC000585281530	376518423	/nfs/dbraw/zinc/51/84/23/376518423.db2.gz	YUMQQEDCKLQBLO-MRXNPFEDSA-N	0	1	327.425	-0.162	40	0		EBABMN
O=C(c1ccn[nH]1)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2	ZINC000096076712	376489276	/nfs/dbraw/zinc/48/92/76/376489276.db2.gz	IVLCGHWOJBGERM-MRXNPFEDSA-N	0	1	344.375	-0.052	40	0		EBABMN
CS(=O)(=O)NCc1cc(=O)n2c(n1)CN(CC1CC1)CCC2	ZINC000096197618	376491881	/nfs/dbraw/zinc/49/18/81/376491881.db2.gz	XKZLYHKKNXIZSG-UHFFFAOYSA-N	0	1	326.422	-0.092	40	0		EBABMN
COCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2OCC(=O)[O-])C[C@H]1O	ZINC000257310482	379197388	/nfs/dbraw/zinc/19/73/88/379197388.db2.gz	UFGNFRCNDMKSFN-CHWSQXEVSA-N	0	1	338.360	-0.542	40	0		EBABMN
COCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2OCC(=O)[O-])C[C@H]1O	ZINC000257310482	379197395	/nfs/dbraw/zinc/19/73/95/379197395.db2.gz	UFGNFRCNDMKSFN-CHWSQXEVSA-N	0	1	338.360	-0.542	40	0		EBABMN
O=C(NC[C@H]1OC[C@@H](NCc2cccnc2)[C@@H]1O)N1CCOCC1	ZINC000077265039	381192677	/nfs/dbraw/zinc/19/26/77/381192677.db2.gz	YZDREGYXUBGSIB-KFWWJZLASA-N	0	1	336.392	-0.659	40	0	biogenic,in-vitro	EBABMN
COCCNC(=O)N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O	ZINC000514289013	419059320	/nfs/dbraw/zinc/05/93/20/419059320.db2.gz	NVMSZHRFOANMEF-SDDRHHMPSA-N	0	1	337.367	-0.209	40	0	biogenic,in-vitro	EBABMN
COCCC(=O)N[C@@H]1CCCC[C@@H](N2CCN(C(C)=O)CC2)[C@@H]1O	ZINC000257276248	277487653	/nfs/dbraw/zinc/48/76/53/277487653.db2.gz	NSZFCWILZWMEPS-BFYDXBDKSA-N	0	1	341.452	-0.025	40	0		EBABMN
Cc1cc(CN2Cc3ncn(C)c3C[C@@H]2CNS(C)(=O)=O)n[nH]1	ZINC000585094839	376359815	/nfs/dbraw/zinc/35/98/15/376359815.db2.gz	PBSQPDZVLLVYNS-GFCCVEGCSA-N	0	1	338.437	-0.072	40	0		EBABMN
CC(=O)NC[C@H]1OC[C@@H](NCc2ccc(S(C)(=O)=O)cc2)[C@@H]1O	ZINC000077263819	381191072	/nfs/dbraw/zinc/19/10/72/381191072.db2.gz	ASUWAAYZRYVKPD-KFWWJZLASA-N	0	1	342.417	-0.556	40	0	biogenic,in-vitro	EBABMN
CCCS(=O)(=O)N[C@H]1CO[C@@H](CN2CCC[C@@H]2COC)[C@@H]1O	ZINC000514289107	419059214	/nfs/dbraw/zinc/05/92/14/419059214.db2.gz	SZFXXKIJCOCPFM-ZOBORPQBSA-N	0	1	336.454	-0.445	40	0	biogenic,in-vitro	EBABMN
CC(=O)Nc1nnc(S(=O)(=O)NCCCN2CCOCC2)s1	ZINC000223459163	419248312	/nfs/dbraw/zinc/24/83/12/419248312.db2.gz	OHWXMFHNFGODGQ-UHFFFAOYSA-N	0	1	349.438	-0.503	40	0		EBABMN
CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)c1cc2nc(C)cc(C)n2n1	ZINC000257343407	277245501	/nfs/dbraw/zinc/24/55/01/277245501.db2.gz	ZSWOFDKPUVKYBF-YPMHNXCESA-N	0	1	330.392	-0.248	40	0		EBABMN
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@@H](N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000019861794	278219657	/nfs/dbraw/zinc/21/96/57/278219657.db2.gz	ZRAWPYYLRZSVEU-QNSTZXKLSA-N	0	1	347.320	-0.972	40	0		EBABMN
CNC(=O)CN1CCC2(CC1)C[C@@H](O)C(C)(C)N(C(=O)COC)C2	ZINC000257269760	290424885	/nfs/dbraw/zinc/42/48/85/290424885.db2.gz	MRGYCCIHQGWONM-CYBMUJFWSA-N	0	1	341.452	-0.167	40	0		EBABMN
CNC(=O)c1cnc(C[C@H]2COCCN(C(=O)c3ccn[nH]3)C2)cn1	ZINC000072382807	563966456	/nfs/dbraw/zinc/96/64/56/563966456.db2.gz	JQCQIHIVWBGUOW-LLVKDONJSA-N	0	1	344.375	-0.109	40	0		EBABMN
N=C(N)Nc1nc(CSCC=C(N)NS(N)(=O)=O)cs1	ZINC000100343824	219096881	/nfs/dbraw/zinc/09/68/81/219096881.db2.gz	NOBYHXGPWRXUGM-LZCJLJQNSA-N	0	1	337.456	-0.725	40	0		EBABMN
COC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ncc[nH]2)N1C	ZINC000022922500	212334328	/nfs/dbraw/zinc/33/43/28/212334328.db2.gz	MULIAZPZYCEFIP-ZOWXZIJZSA-N	0	1	335.408	-0.264	40	0	biogenic,in-vitro	EBABMN
O=C(NC[C@H]1CO[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@H]12)c1cnccn1	ZINC000585094057	376359274	/nfs/dbraw/zinc/35/92/74/376359274.db2.gz	SKFYKWUFBVDNGQ-MISXGVKJSA-N	0	1	342.359	-0.283	40	0		EBABMN
CN1CCN(C[C@@H]2OC[C@H](NC(=O)Cc3ccccc3)[C@H]2O)CC1	ZINC000514289405	419060014	/nfs/dbraw/zinc/06/00/14/419060014.db2.gz	SEQJYCFZSRWYMY-XYJFISCASA-N	0	1	333.432	-0.279	40	0	biogenic,in-vitro	EBABMN
COCCN1C(=O)CO[C@H]2CCN(CC(=O)N3CCCC3)CC[C@@H]21	ZINC000257310211	419302791	/nfs/dbraw/zinc/30/27/91/419302791.db2.gz	UEDXAOFRSRFQRR-GJZGRUSLSA-N	0	1	339.436	-0.053	40	0		EBABMN
CN(C)C(=O)[C@H]1CN(Cc2cnc[nH]2)CCN(S(C)(=O)=O)C1	ZINC000257291385	419302831	/nfs/dbraw/zinc/30/28/31/419302831.db2.gz	QGSJHEKXWBEKTJ-NSHDSACASA-N	0	1	329.426	-0.809	40	0		EBABMN
CN(C)CC(=O)N1CC[C@@]2(C1)CCC[C@@H](CNS(C)(=O)=O)O2	ZINC000096218999	289075696	/nfs/dbraw/zinc/07/56/96/289075696.db2.gz	UHAONHWIBPAHBR-GXTWGEPZSA-N	0	1	333.454	-0.363	40	0		EBABMN
COCc1cn(C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C(=O)N2CCOCC2)nn1	ZINC000008298079	584211106	/nfs/dbraw/zinc/21/11/06/584211106.db2.gz	LNBSKKFTXYRUKH-IMJJTQAJSA-N	0	1	349.435	-0.006	40	0	biogenic,in-vitro	EBABMN
CNC(=O)CN1CCC2(CC1)C[C@H](O)C(C)(C)N(C(=O)COC)C2	ZINC000257269761	283317684	/nfs/dbraw/zinc/31/76/84/283317684.db2.gz	MRGYCCIHQGWONM-ZDUSSCGKSA-N	0	1	341.452	-0.167	40	0		EBABMN
NC(=O)C1CCN(CC(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)CC1	ZINC000257226148	244201325	/nfs/dbraw/zinc/20/13/25/244201325.db2.gz	FJHZUPHYVATZOM-HZPDHXFCSA-N	0	1	347.415	-0.166	40	0		EBABMN
CO[C@H]1OC[C@H](NC(=O)C(F)(F)F)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000001680170	375876703	/nfs/dbraw/zinc/87/67/03/375876703.db2.gz	DILDOLIPDSTMHT-QEYWKRMJSA-N	0	1	343.254	-0.100	40	0		EBABMN
Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C(F)(F)F)O2)c(=O)[nH]c1=O	ZINC000043771810	376105626	/nfs/dbraw/zinc/10/56/26/376105626.db2.gz	OCENNXGUXKBJMJ-XLPZGREQSA-N	0	1	337.254	-0.828	40	0		EBABMN
CNC(=O)C[C@]1(O)COCCN(C(=O)CN2CCC(C)CC2)C1	ZINC000585280223	376518192	/nfs/dbraw/zinc/51/81/92/376518192.db2.gz	CXAYWIJSTKCHTR-MRXNPFEDSA-N	0	1	327.425	-0.556	40	0		EBABMN
CN(C)C(=O)CN1CCC2(CC1)CN(c1cncnc1)C(=O)CO2	ZINC000096063147	419042727	/nfs/dbraw/zinc/04/27/27/419042727.db2.gz	OCQZVUCDSMQSHW-UHFFFAOYSA-N	0	1	333.392	-0.237	40	0		EBABMN
Cc1nnc(SCCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)[nH]1	ZINC000222557316	419247868	/nfs/dbraw/zinc/24/78/68/419247868.db2.gz	PRBDVYUWCLAZIJ-SNVBAGLBSA-N	0	1	347.466	-0.007	40	0		EBABMN
CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCC(=O)[O-])CC[C@@H]2O)CC1	ZINC000257293752	278044283	/nfs/dbraw/zinc/04/42/83/278044283.db2.gz	QRABEDKEUCAUHM-KBPBESRZSA-N	0	1	341.408	-0.633	40	0		EBABMN
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000038275730	278219873	/nfs/dbraw/zinc/21/98/73/278219873.db2.gz	ZRAWPYYLRZSVEU-KSTCHIGDSA-N	0	1	347.320	-0.972	40	0	in-vitro	EBABMN
Cn1c(=O)cc(C(=O)N2CCNC[C@@H]2c2ccccc2)n(C)c1=O	ZINC000257327088	294139791	/nfs/dbraw/zinc/13/97/91/294139791.db2.gz	WZWKNYBJSLWJFO-CQSZACIVSA-N	0	1	328.372	-0.129	40	0		EBABMN
COCC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N(C)Cc1ccccc1	ZINC000020465934	212135012	/nfs/dbraw/zinc/13/50/12/212135012.db2.gz	YUQVCMLATUYTLM-YQFWSFKMSA-N	0	1	338.404	-0.630	40	0	biogenic,in-vitro	EBABMN
CN(CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(N)=O	ZINC000257247152	244261527	/nfs/dbraw/zinc/26/15/27/244261527.db2.gz	IXSLEBVKXHEVIW-MQYQWHSLSA-N	0	1	327.356	-0.333	40	0		EBABMN
O=C(NC[C@@]1(O)COCCN(Cc2cnc[nH]2)C1)c1ccccn1	ZINC000257331859	244553297	/nfs/dbraw/zinc/55/32/97/244553297.db2.gz	XUOTWBQBZYDFLA-INIZCTEOSA-N	0	1	331.376	-0.202	40	0		EBABMN
C[C@H]1CN(C(=O)NCC(=O)N2CCOCC2)CCN1CC(C)(C)O	ZINC000408404358	376893484	/nfs/dbraw/zinc/89/34/84/376893484.db2.gz	IFNGUMGALBRUMG-ZDUSSCGKSA-N	0	1	342.440	-0.668	40	0		EBABMN
CN(C)C(=O)CN1CC[C@@H](n2cnc3c2ncnc3N)[C@](C)(O)C1	ZINC000257323009	419303017	/nfs/dbraw/zinc/30/30/17/419303017.db2.gz	WIJSPSGMRGHJSF-MEBBXXQBSA-N	0	1	333.396	-0.506	40	0		EBABMN
O=S(=O)(N1CC[C@H](c2cc(CCO)n[nH]2)C1)N1CCOCC1	ZINC000072385326	216185759	/nfs/dbraw/zinc/18/57/59/216185759.db2.gz	SZQZMAPUZUTIAM-NSHDSACASA-N	0	1	330.410	-0.689	40	0		EBABMN
CN(C)C(=O)NCCCN1CCN(CCCNC(=O)N(C)C)CC1	ZINC000022585408	212309211	/nfs/dbraw/zinc/30/92/11/212309211.db2.gz	BKUVUOZJLNGJQN-UHFFFAOYSA-N	0	1	342.488	-0.073	40	0		EBABMN
O=C(CCn1cnnn1)N1C[C@@H](O)[C@H](N2CCc3ccccc3C2)C1	ZINC000257227300	244203452	/nfs/dbraw/zinc/20/34/52/244203452.db2.gz	FOPLJMYDSGKIKO-HZPDHXFCSA-N	0	1	342.403	-0.307	40	0		EBABMN
CCOC(=O)C1=C[C@](C)(C(=O)OCC)Nc2c([nH]c(N)nc2=O)N1	ZINC000008665366	375950166	/nfs/dbraw/zinc/95/01/66/375950166.db2.gz	VXNZPAGSGBYICC-CQSZACIVSA-N	0	1	337.336	-0.042	40	0		EBABMN
COC[C@@H]1CC2(CN1CC(=O)N(C)C)CCN(S(C)(=O)=O)CC2	ZINC000096208221	376494844	/nfs/dbraw/zinc/49/48/44/376494844.db2.gz	QZQGJCUPSLDHQZ-ZDUSSCGKSA-N	0	1	347.481	-0.163	40	0		EBABMN
CC(=O)N1CCC(N2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)CC1	ZINC000257278846	379195434	/nfs/dbraw/zinc/19/54/34/379195434.db2.gz	ODWPAABKJJIFBX-HUUCEWRRSA-N	0	1	333.392	-0.738	40	0		EBABMN
Nc1[nH+]cnc2c1ccn2[C@H]1O[C@H]2CO[P@](=O)([O-])O[C@@H]2[C@H]1O	ZINC000004824676	210288781	/nfs/dbraw/zinc/28/87/81/210288781.db2.gz	LCYHXWIEMRESTK-PJFCORBGSA-N	0	1	328.221	-0.212	40	0		EBABMN
CN1CCC[N@H+]([C@H]2CCN(C(=O)CCC(=O)[O-])CC[C@@H]2O)CC1	ZINC000257321609	419302718	/nfs/dbraw/zinc/30/27/18/419302718.db2.gz	WCJARURIKUBQRH-KBPBESRZSA-N	0	1	327.425	-0.159	40	0		EBABMN
CN(Cc1ccc(F)cc1)[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1O	ZINC000257313976	419302802	/nfs/dbraw/zinc/30/28/02/419302802.db2.gz	UUWTYUHKGYPIGT-HUUCEWRRSA-N	0	1	348.382	-0.094	40	0		EBABMN
COCCNC(=O)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(COC)nn1	ZINC000008298023	649931826	/nfs/dbraw/zinc/93/18/26/649931826.db2.gz	CDRIADDHDXCZDT-CFVMTHIKSA-N	0	1	337.424	-0.103	40	0	biogenic,in-vitro	EBABMN
O=C(NC[C@]1(O)COCCN(C(=O)c2ccn[nH]2)C1)c1ccccn1	ZINC000257224137	244196243	/nfs/dbraw/zinc/19/62/43/244196243.db2.gz	FALZBKBNYACFOQ-MRXNPFEDSA-N	0	1	345.359	-0.562	40	0		EBABMN
CC[C@H](C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O	ZINC000001890104	375878879	/nfs/dbraw/zinc/87/88/79/375878879.db2.gz	DYTMGBXTNHPPNK-IUCAKERBSA-N	0	1	338.368	-0.408	40	0	in-vitro	EBABMN
CCN1C[C@@]23CN(C(=O)c4ccn[nH]4)C[C@@H](C[C@@H]2S1(=O)=O)O3	ZINC000096264054	376498791	/nfs/dbraw/zinc/49/87/91/376498791.db2.gz	PWIUXKOOLUPZHO-CDMKHQONSA-N	0	1	326.378	-0.573	40	0		EBABMN
Cn1cc(CN2CCc3ncc(CNS(C)(=O)=O)n3CC2)cn1	ZINC000096197018	376493610	/nfs/dbraw/zinc/49/36/10/376493610.db2.gz	SVSPVSRLCBSDIA-UHFFFAOYSA-N	0	1	338.437	-0.276	40	0		EBABMN
CN1CC2(CN(C(=O)c3ccn[nH]3)C2)OC[C@@H]1C(=O)NC1CCCC1	ZINC000575406913	377089450	/nfs/dbraw/zinc/08/94/50/377089450.db2.gz	XXOOCUZTGWNWAF-CQSZACIVSA-N	0	1	347.419	-0.006	40	0		EBABMN
CNC(=O)[C@H]1CN(C(C)=O)CCN(C(=O)CN2CCC(C)CC2)C1	ZINC000257260613	379192479	/nfs/dbraw/zinc/19/24/79/379192479.db2.gz	LDQATJPCZWYTNB-HNNXBMFYSA-N	0	1	338.452	-0.229	40	0		EBABMN
Nc1[nH+]cnc2c1ccn2[C@@H]1O[C@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O	ZINC000004824679	210289788	/nfs/dbraw/zinc/28/97/88/210289788.db2.gz	LCYHXWIEMRESTK-CIOUSYIGSA-N	0	1	328.221	-0.212	40	0		EBABMN
CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)CCC(=O)[O-])[C@H]2O)CC1	ZINC000257317712	419302383	/nfs/dbraw/zinc/30/23/83/419302383.db2.gz	VKVUPLXYYUHAIK-XJKCOSOUSA-N	0	1	341.408	-0.587	40	0		EBABMN
Cc1cc(C)n(CC(=O)N2CC[C@@](O)(CN3CCN(C)CC3)C2)n1	ZINC000257340923	419303696	/nfs/dbraw/zinc/30/36/96/419303696.db2.gz	ZICXJGXPBFTZMY-QGZVFWFLSA-N	0	1	335.452	-0.289	40	0		EBABMN
COC[C@H]1CC2(CN1CC(=O)N(C)C)CCN(S(C)(=O)=O)CC2	ZINC000096208220	293190121	/nfs/dbraw/zinc/19/01/21/293190121.db2.gz	QZQGJCUPSLDHQZ-CYBMUJFWSA-N	0	1	347.481	-0.163	40	0		EBABMN
O=S(=O)(N1CCC[C@@H]1c1cc(CCO)[nH]n1)N1CCOCC1	ZINC000072385324	216185712	/nfs/dbraw/zinc/18/57/12/216185712.db2.gz	OOZCRYHBIPBBJF-CYBMUJFWSA-N	0	1	330.410	-0.342	40	0		EBABMN
CC(=O)N1CCN(C[C@@]2(O)CCCN(C(=O)c3ncc[nH]3)CC2)CC1	ZINC000257212508	244158410	/nfs/dbraw/zinc/15/84/10/244158410.db2.gz	CDSQFOATSFZEOR-QGZVFWFLSA-N	0	1	349.435	-0.069	40	0		EBABMN
Cc1cc(CN2Cc3ncn(C)c3C[C@H]2CNS(C)(=O)=O)n[nH]1	ZINC000585094840	376359762	/nfs/dbraw/zinc/35/97/62/376359762.db2.gz	PBSQPDZVLLVYNS-LBPRGKRZSA-N	0	1	338.437	-0.072	40	0		EBABMN
CN(C)CC(=O)N1CCOC[C@H]1c1nccc(N2CCOCC2)n1	ZINC000096218868	376496236	/nfs/dbraw/zinc/49/62/36/376496236.db2.gz	JOYWFZMXWDFPNB-ZDUSSCGKSA-N	0	1	335.408	-0.225	40	0		EBABMN
CN(C)C(=O)CN1CCC2(CC1)CN(CCn1cccn1)C(=O)CO2	ZINC000096201412	376496282	/nfs/dbraw/zinc/49/62/82/376496282.db2.gz	GWDJJSZYFNAJHE-UHFFFAOYSA-N	0	1	349.435	-0.335	40	0		EBABMN
CCOC(=O)N1CCC(O)(CN2CCO[C@@](C)(C(=O)NC)C2)CC1	ZINC000585287489	376525729	/nfs/dbraw/zinc/52/57/29/376525729.db2.gz	YAWMBDXCAQQWJU-OAHLLOKOSA-N	0	1	343.424	-0.193	40	0		EBABMN
CN(C)c1ncc(C(=O)N2CC[C@](O)(CN3CCN(C)CC3)C2)cn1	ZINC000257261018	379194347	/nfs/dbraw/zinc/19/43/47/379194347.db2.gz	LFLCATPXLPLMCV-KRWDZBQOSA-N	0	1	348.451	-0.633	40	0		EBABMN
C[C@]1(C(=O)N2CCOCC2)CN(CC2(O)CCOCC2)CCO1	ZINC000257297572	379198019	/nfs/dbraw/zinc/19/80/19/379198019.db2.gz	RHWDGSXFPJDMNZ-OAHLLOKOSA-N	0	1	328.409	-0.522	40	0		EBABMN
O=C(NC[C@H]1OC[C@@H](NCc2ccncc2)[C@@H]1O)N1CCOCC1	ZINC000077265465	381191729	/nfs/dbraw/zinc/19/17/29/381191729.db2.gz	JAOIWOGAFLCFMC-KFWWJZLASA-N	0	1	336.392	-0.659	40	0	biogenic,in-vitro	EBABMN
O=C1NC(=O)C2(CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1	ZINC000004897613	210316504	/nfs/dbraw/zinc/31/65/04/210316504.db2.gz	YWBAOEDBNQSPKE-UHFFFAOYSA-N	0	1	337.357	-0.177	40	0		EBABMN
O=C(N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O)N1CCOCC1	ZINC000514288875	419058345	/nfs/dbraw/zinc/05/83/45/419058345.db2.gz	ISNDIUJPFDYRAV-RWMBFGLXSA-N	0	1	349.378	-0.112	40	0	biogenic,in-vitro	EBABMN
CO[C@]1(CC(N)=O)COCCN(C(=O)CN2CCC(C)CC2)C1	ZINC000585281529	376517978	/nfs/dbraw/zinc/51/79/78/376517978.db2.gz	YUMQQEDCKLQBLO-INIZCTEOSA-N	0	1	327.425	-0.162	40	0		EBABMN
CNC(=O)[C@H]1COC2(CN(C(=O)c3ccn[nH]3)C2)CN1CC1CC1	ZINC000575405215	377087790	/nfs/dbraw/zinc/08/77/90/377087790.db2.gz	HCCNZDAGJAWXDF-CYBMUJFWSA-N	0	1	333.392	-0.539	40	0		EBABMN
CN1C(=O)C(=O)[C@H](C(=O)NCc2ccc(F)cc2)N=C1C(C)(C)N	ZINC000575623579	381035686	/nfs/dbraw/zinc/03/56/86/381035686.db2.gz	MHODNZQPDYJIOK-LLVKDONJSA-N	0	1	334.351	-0.013	40	0		EBABMN
CC(=O)Nc1[nH]n(-c2ccccc2)c(=O)c1S[C@H]1N=NC(N)N1	ZINC000100998424	277023830	/nfs/dbraw/zinc/02/38/30/277023830.db2.gz	CATQSCBLYQYPDS-TVQRCGJNSA-N	0	1	333.377	-0.709	40	0		EBABMN
CS(=O)(=O)NCCNC(=O)[C@@H]1CN(c2ccc(F)cc2)CCN1	ZINC000257305860	379198118	/nfs/dbraw/zinc/19/81/18/379198118.db2.gz	SRWLHOORBZVRKZ-ZDUSSCGKSA-N	0	1	344.412	-0.731	40	0		EBABMN
N[C@@H]1C(=O)[C@@H]2C(C(=O)[O-])=C(Cn3cc[n+]4ncccc34)CS[C@H]12	ZINC000207877858	379327827	/nfs/dbraw/zinc/32/78/27/379327827.db2.gz	PSOARANFLNQYAR-SCRDCRAPSA-O	0	1	331.377	-0.355	40	0		EBABMN
CCS(=O)(=O)N1CCN(c2cnnc(N3CCOCC3)c2)CC1	ZINC000224333723	419862195	/nfs/dbraw/zinc/86/21/95/419862195.db2.gz	QUMXTGFTHGTISW-UHFFFAOYSA-N	0	1	341.437	-0.215	40	0		EBABMN
O=C([O-])[C@H](Cc1cnc[nH]1)[NH2+]Cc1cnc(N2CCOCC2)nc1	ZINC000218760320	241344143	/nfs/dbraw/zinc/34/41/43/241344143.db2.gz	ZRYRQWNSUMYAEP-ZDUSSCGKSA-N	0	1	332.364	-0.178	40	0		EBABMN
Cc1c(CCC(=O)N2CC[C@@](O)(CN3CCN(C)CC3)C2)cnn1C	ZINC000257210015	244146399	/nfs/dbraw/zinc/14/63/99/244146399.db2.gz	BSUBCPSAKWZTQV-GOSISDBHSA-N	0	1	349.479	-0.128	40	0		EBABMN
CC1(c2[nH]ncc2C(N)=O)CCN(S(=O)(=O)c2cn[nH]c2)CC1	ZINC000257266552	244363627	/nfs/dbraw/zinc/36/36/27/244363627.db2.gz	MDMHFFHCHTVRPD-UHFFFAOYSA-N	0	1	338.393	-0.026	40	0		EBABMN
CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)CNC(C)=O	ZINC000257261176	244346569	/nfs/dbraw/zinc/34/65/69/244346569.db2.gz	LGBFTFQBTPBKAJ-INIZCTEOSA-N	0	1	346.431	-0.376	40	0		EBABMN
CNC(=S)NCCCN1CCN(CCCNC(=S)NC)CC1	ZINC000019690757	212055910	/nfs/dbraw/zinc/05/59/10/212055910.db2.gz	YOEJBDNZBSZNBM-UHFFFAOYSA-N	0	1	346.570	-0.428	40	0		EBABMN
O=C(CCO)N1CC2(C1)CN(Cc1ccccc1)C[C@@H]1C[C@@H](O)CN12	ZINC000514288549	419059733	/nfs/dbraw/zinc/05/97/33/419059733.db2.gz	CJOBHSMOLCBTPB-DLBZAZTESA-N	0	1	345.443	-0.099	40	0	biogenic,in-vitro	EBABMN
C[C@@]1(O)CCN(C(=O)c2ccn[nH]2)C[C@H]1n1cnc2c1ncnc2N	ZINC000257323748	419302377	/nfs/dbraw/zinc/30/23/77/419302377.db2.gz	WLRFCDOFZQBTSX-MEBBXXQBSA-N	0	1	342.363	-0.030	40	0		EBABMN
CC(=O)NC1CCN(C[C@]2(O)CCN(S(=O)(=O)C(C)C)C2)CC1	ZINC000257315194	419302865	/nfs/dbraw/zinc/30/28/65/419302865.db2.gz	VAISZZMOWTUORO-OAHLLOKOSA-N	0	1	347.481	-0.238	40	0		EBABMN
CC(=O)OC[C@@H]1O[C@H](N)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000245239670	278219648	/nfs/dbraw/zinc/21/96/48/278219648.db2.gz	LMVYBLMOENOGGK-VJTDZRGJSA-N	0	1	347.320	-0.972	40	0		EBABMN
CC(=O)OC[C@H]1O[C@@H](N)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000068603004	278219897	/nfs/dbraw/zinc/21/98/97/278219897.db2.gz	LMVYBLMOENOGGK-IKOXMDCHSA-N	0	1	347.320	-0.972	40	0		EBABMN
O=C([O-])c1cccc(N2C(=O)C[C@H](N3CC[NH+](CCO)CC3)C2=O)c1	ZINC000023476889	212378699	/nfs/dbraw/zinc/37/86/99/212378699.db2.gz	CMPQGJNQWHTXNX-AWEZNQCLSA-N	0	1	347.371	-0.373	40	0		EBABMN
CNC(=O)[C@@H]1CN(C(C)=O)CCN(C(=O)CN2CCC(C)CC2)C1	ZINC000257260614	379192439	/nfs/dbraw/zinc/19/24/39/379192439.db2.gz	LDQATJPCZWYTNB-OAHLLOKOSA-N	0	1	338.452	-0.229	40	0		EBABMN
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](N)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000034868693	278219134	/nfs/dbraw/zinc/21/91/34/278219134.db2.gz	ZRAWPYYLRZSVEU-QSLWVIQJSA-N	0	1	347.320	-0.972	40	0		EBABMN
Cn1c(=O)cc(C(=O)N2CCNC[C@H]2c2ccccc2)n(C)c1=O	ZINC000257327087	294139851	/nfs/dbraw/zinc/13/98/51/294139851.db2.gz	WZWKNYBJSLWJFO-AWEZNQCLSA-N	0	1	328.372	-0.129	40	0		EBABMN
COc1ccc([C@H]2CNCCN2C(=O)CN2C(=O)CNC2=O)cc1	ZINC000257205644	536944544	/nfs/dbraw/zinc/94/45/44/536944544.db2.gz	AZZPWRQKSZBFNV-CYBMUJFWSA-N	0	1	332.360	-0.280	40	0		EBABMN
O=C(NCCN[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccc(Cl)cc1	ZINC000217374721	241246620	/nfs/dbraw/zinc/24/66/20/241246620.db2.gz	GKIDGKHFVZZMRH-VXGBXAGGSA-N	0	1	332.809	-0.183	40	0		EBABMN
Cc1nnc(SCCNC(=O)C2CCN(S(C)(=O)=O)CC2)[nH]1	ZINC000226075780	242087065	/nfs/dbraw/zinc/08/70/65/242087065.db2.gz	NGXLSOHPUDZEPX-UHFFFAOYSA-N	0	1	347.466	-0.007	40	0		EBABMN
CNC(=O)[C@H]1CN(CCc2ccccc2)CCN1C(=O)CNC(C)=O	ZINC000257261177	244348453	/nfs/dbraw/zinc/34/84/53/244348453.db2.gz	LGBFTFQBTPBKAJ-MRXNPFEDSA-N	0	1	346.431	-0.376	40	0		EBABMN
Cc1cn([C@@H]2CN(C(=O)c3ccn[nH]3)CC[C@@]2(C)O)c(=O)[nH]c1=O	ZINC000257297917	379197364	/nfs/dbraw/zinc/19/73/64/379197364.db2.gz	RJIGUQGDPPNVGN-IAQYHMDHSA-N	0	1	333.348	-0.181	40	0		EBABMN
CNC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccc3oc(=O)n(C)c3c2)C1	ZINC000257331022	419303453	/nfs/dbraw/zinc/30/34/53/419303453.db2.gz	XRBLWAFLLXRADJ-GFCCVEGCSA-N	0	1	346.387	-0.119	40	0		EBABMN