smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)NC1CCN(C[C@]2(O)CCN(C(=O)c3cnn(C)c3)C2)CC1	ZINC000257225613	244197840	/nfs/dbraw/zinc/19/78/40/244197840.db2.gz	FGZRUEXUJBEFQN-QGZVFWFLSA-N	0	3	349.435	-0.402	40	0		EBABHN
Cc1nn(C)cc1C(=O)N1CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1	ZINC000257256868	244284210	/nfs/dbraw/zinc/28/42/10/244284210.db2.gz	KNFXLBRXRUQJSO-HOTGVXAUSA-N	0	3	335.452	-0.059	40	0		EBABHN
CN(C1CCN(C(=O)Cc2ccncc2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585288405	376524003	/nfs/dbraw/zinc/52/40/03/376524003.db2.gz	ZUQWIMTTYKHSIT-NUJGCVRESA-N	0	3	349.431	-0.333	40	0		EBABHN
CN(C1CCN(C(=O)Cc2cccnc2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585287870	376524290	/nfs/dbraw/zinc/52/42/90/376524290.db2.gz	GJBQXEHCBMMIHP-NUJGCVRESA-N	0	3	349.431	-0.333	40	0		EBABHN
CS(=O)(=O)N1CC[C@H]2C[C@@H](C(=O)NCCN3CCCC3)O[C@@H]2C1	ZINC000096042960	376487903	/nfs/dbraw/zinc/48/79/03/376487903.db2.gz	MVKQLBVPRLPIMA-MELADBBJSA-N	0	3	345.465	-0.363	40	0		EBABHN
CN1CCN(C[C@]2(O)CCCN(C(=O)CCC(N)=O)CC2)CC1	ZINC000257300981	379199479	/nfs/dbraw/zinc/19/94/79/379199479.db2.gz	RWLHBMPVEKVHKD-INIZCTEOSA-N	0	3	326.441	-0.757	40	0		EBABHN
CN(C)S(=O)(=O)N1CCc2nc(C3CC[NH2+]CC3)[n-]c(=O)c2C1	ZINC000257283722	379406661	/nfs/dbraw/zinc/40/66/61/379406661.db2.gz	OZOSXVBZPWHZMK-UHFFFAOYSA-N	0	3	341.437	-0.186	40	0		EBABHN
CC1CCN(C[C@@H]2OC[C@H](NC(=O)N3CCOCC3)[C@H]2O)CC1	ZINC000514289581	257845631	/nfs/dbraw/zinc/84/56/31/257845631.db2.gz	VSIGQXAYZCEQHQ-SOUVJXGZSA-N	0	3	327.425	-0.112	40	0	biogenic,in-vitro	EBABHN
CNC(=O)[C@H]1CN(C)CCN(C2CCN(S(C)(=O)=O)CC2)C1	ZINC000257228629	419302062	/nfs/dbraw/zinc/30/20/62/419302062.db2.gz	FUPVBTBVKPMZFM-LBPRGKRZSA-N	0	3	332.470	-0.980	40	0		EBABHN
CNC(=O)[C@H]1CN(C)CCN(C(=O)CN(C)Cc2cccnc2)C1	ZINC000257263149	536398460	/nfs/dbraw/zinc/39/84/60/536398460.db2.gz	LOQGRZYLLNZMAH-HNNXBMFYSA-N	0	3	333.436	-0.350	40	0		EBABHN
O=C(CCn1cnnn1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1	ZINC000257231485	244213035	/nfs/dbraw/zinc/21/30/35/244213035.db2.gz	GGXORHOJURNODZ-ZDUSSCGKSA-N	0	3	344.366	-0.242	40	0		EBABHN
CNC(=O)C[C@]1(O)COCCN(C(=O)CN(C)C2CCCC2)C1	ZINC000585280198	376518851	/nfs/dbraw/zinc/51/88/51/376518851.db2.gz	CEKUYVXMLGCMIZ-MRXNPFEDSA-N	0	3	327.425	-0.413	40	0		EBABHN
CN(C)C[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3cccnc3)O[C@@H]2[C@@H]1O	ZINC000604381604	378451143	/nfs/dbraw/zinc/45/11/43/378451143.db2.gz	HWZQVQNCYHKLJV-SZVRAQGESA-N	0	3	335.404	-0.065	40	0	biogenic,in-vitro	EBABHN
COc1ccc(S(=O)(=O)N(CCN)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575424423	382107872	/nfs/dbraw/zinc/10/78/72/382107872.db2.gz	AGBHBNYTJBNNKU-LLVKDONJSA-N	0	3	348.446	-0.168	40	0		EBABHN
C[C@@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@@H]23	ZINC000013783460	287190622	/nfs/dbraw/zinc/19/06/22/287190622.db2.gz	QVCMHGGNRFRMAD-KDDSUGKUSA-N	0	3	325.361	-0.393	40	0	endogenous,in-man	EBABHN
CNC(=O)[C@H]1CN(C(=O)c2cnn(C)c2)CCN(C2CCOCC2)C1	ZINC000257202634	536398268	/nfs/dbraw/zinc/39/82/68/536398268.db2.gz	AMRSGRDURHRATC-CQSZACIVSA-N	0	3	349.435	-0.281	40	0		EBABHN
COC(=O)[C@H]1CN(C(=O)CN)CCN1C(=O)OCc1ccccc1	ZINC000079418572	376086930	/nfs/dbraw/zinc/08/69/30/376086930.db2.gz	LZEKWDUICPQRAF-CYBMUJFWSA-N	0	3	335.360	-0.032	40	0		EBABHN
C[C@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	ZINC000059817010	376188689	/nfs/dbraw/zinc/18/86/89/376188689.db2.gz	QVCMHGGNRFRMAD-QUEVIFFYSA-N	0	3	325.361	-0.393	40	0	in-man	EBABHN
CO[C@H]1CN(C2CCN(S(C)(=O)=O)CC2)C[C@H]1CC(=O)N(C)C	ZINC000585277142	376516096	/nfs/dbraw/zinc/51/60/96/376516096.db2.gz	FYEFOMYWTOJMIN-OCCSQVGLSA-N	0	3	347.481	-0.165	40	0		EBABHN
CN(C)CCOC[C@@H]1CN(S(=O)(=O)C2CC2)Cc2nnn(C)c21	ZINC000096198528	376492036	/nfs/dbraw/zinc/49/20/36/376492036.db2.gz	OUKPMEGZZRFLAW-NSHDSACASA-N	0	3	343.453	-0.215	40	0		EBABHN
CN(CCC(=O)N1C[C@@H](O)[C@H](N2CCOCC2)C1)Cc1cccnc1	ZINC000257259198	536304334	/nfs/dbraw/zinc/30/43/34/536304334.db2.gz	KXHHPQWKGKYZNQ-IAGOWNOFSA-N	0	3	348.447	-0.193	40	0		EBABHN
CC(=O)N1CCNC[C@@H]1C(=O)N1CCC(c2cc(CCO)[nH]n2)CC1	ZINC000257252772	244273301	/nfs/dbraw/zinc/27/33/01/244273301.db2.gz	JWCJMLDLHCOJDZ-MRXNPFEDSA-N	0	3	349.435	-0.529	40	0		EBABHN
COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC[C@H](O)CO)O2)no1	ZINC000077262769	203375458	/nfs/dbraw/zinc/37/54/58/203375458.db2.gz	GBCNNVZIEVEXEP-NZBPQXDJSA-N	0	3	330.381	-0.785	40	0	biogenic,in-vitro	EBABHN
CN(C)CCOCc1nnn2c1CN(C(=O)c1ncn(C)n1)CCC2	ZINC000585110545	376363229	/nfs/dbraw/zinc/36/32/29/376363229.db2.gz	YGRNROQKHPZJCW-UHFFFAOYSA-N	0	3	348.411	-0.469	40	0		EBABHN
CN(C)CCOC[C@H]1CN(C(=O)c2cnccn2)Cc2nnn(C)c21	ZINC000096045452	376487521	/nfs/dbraw/zinc/48/75/21/376487521.db2.gz	LLTUJLWUHYITDK-GFCCVEGCSA-N	0	3	345.407	-0.077	40	0		EBABHN
Cn1cc(CN2C[C@H]3C[C@H](C(=O)N4CCN(C)CC4)N(C)[C@H]3C2)cn1	ZINC000096182576	376493094	/nfs/dbraw/zinc/49/30/94/376493094.db2.gz	MYAAJSOBCGUWEB-ZACQAIPSSA-N	0	3	346.479	-0.301	40	0		EBABHN
CC(=O)NC1CCN(C[C@]2(O)CCN(C(=O)c3cncnc3)C2)CC1	ZINC000257284326	379194235	/nfs/dbraw/zinc/19/42/35/379194235.db2.gz	PCFYOTRIMRVFIA-QGZVFWFLSA-N	0	3	347.419	-0.346	40	0		EBABHN
CN(C)C[C@H]1COc2ccccc2CN1C(=O)CN1C(=O)CNC1=O	ZINC000012366167	375961051	/nfs/dbraw/zinc/96/10/51/375961051.db2.gz	DFADSDKUDLWPOA-ZDUSSCGKSA-N	0	3	346.387	-0.110	40	0		EBABHN
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CN2CCCC2)C1	ZINC000585289857	376524470	/nfs/dbraw/zinc/52/44/70/376524470.db2.gz	LEXBJZJDERUGIS-CABCVRRESA-N	0	3	326.418	-0.121	40	0		EBABHN
CN(C)CCOc1ccc(C(=O)N(C)[C@@H]2COC[C@@H](O)[C@H]2O)cc1	ZINC000585285439	376522687	/nfs/dbraw/zinc/52/26/87/376522687.db2.gz	CWPDTIURHOKKJR-OAGGEKHMSA-N	0	3	338.404	-0.180	40	0		EBABHN
COCCN[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccc(OC)cc2)[C@@H]1O	ZINC000096533296	379546349	/nfs/dbraw/zinc/54/63/49/379546349.db2.gz	TZDKMQLHLBEKAY-OVYGPGRDSA-N	0	3	338.404	-0.126	40	0	biogenic,in-vitro	EBABHN
O=C([C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1)N1CCOCC1	ZINC000008298038	419017800	/nfs/dbraw/zinc/01/78/00/419017800.db2.gz	ICCDSWRSQYGCNP-BMFZPTHFSA-N	0	3	349.435	-0.618	40	0	biogenic,in-vitro	EBABHN
NC(=O)[C@H]1CN(C(=O)c2cncnc2)CCN(C2CCOCC2)C1	ZINC000257241901	283355929	/nfs/dbraw/zinc/35/59/29/283355929.db2.gz	IADZHKWUWQRDFY-CYBMUJFWSA-N	0	3	333.392	-0.485	40	0		EBABHN
Cc1cnn(CC(=O)N2CCN(C3CCOCC3)C[C@H](C(N)=O)C2)c1	ZINC000257201042	244121698	/nfs/dbraw/zinc/12/16/98/244121698.db2.gz	AFYBJFKILKMNAS-AWEZNQCLSA-N	0	3	349.435	-0.384	40	0		EBABHN
CC(C)S(=O)(=O)NC1=NCN(CCCN2CCN(C)CC2)CN1	ZINC000040387378	376085791	/nfs/dbraw/zinc/08/57/91/376085791.db2.gz	KALQURQXMVAVDT-UHFFFAOYSA-N	0	3	346.501	-0.872	40	0		EBABHN
CN(C1CCN(C(=O)Cc2ccccn2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585288401	376524803	/nfs/dbraw/zinc/52/48/03/376524803.db2.gz	ZQGLGFPZALWFLI-NUJGCVRESA-N	0	3	349.431	-0.333	40	0		EBABHN
O=C([C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CO)nn1)N1CCOCC1	ZINC000008298097	418950335	/nfs/dbraw/zinc/95/03/35/418950335.db2.gz	UOHPYQWHMVSJQF-YUELXQCFSA-N	0	3	335.408	-0.660	40	0	biogenic,in-vitro	EBABHN
COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)N2CCOCC2)[C@H]1O	ZINC000514288846	419059776	/nfs/dbraw/zinc/05/97/76/419059776.db2.gz	GRCBRFWADWMAHC-CBBWQLFWSA-N	0	3	343.424	-0.733	40	0	biogenic,in-vitro	EBABHN
CNC(=O)[C@H]1CN(CC2CCOCC2)CCN(S(C)(=O)=O)C1	ZINC000257328442	419303488	/nfs/dbraw/zinc/30/34/88/419303488.db2.gz	XFQOCLHXELDAIQ-ZDUSSCGKSA-N	0	3	333.454	-0.648	40	0		EBABHN
CCS(=O)(=O)N1CCCn2nnc(COCCN(C)C)c2C1	ZINC000096058838	280013032	/nfs/dbraw/zinc/01/30/32/280013032.db2.gz	IKQGDYRSWZSCPU-UHFFFAOYSA-N	0	3	331.442	-0.088	40	0		EBABHN
CC(C)NC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCC(C)CC1	ZINC000020466005	212134502	/nfs/dbraw/zinc/13/45/02/212134502.db2.gz	VVVBXYGILWHEDD-CBBWQLFWSA-N	0	3	329.441	-0.085	40	0	biogenic,in-vitro	EBABHN
Cc1nn(C)cc1S(=O)(=O)N1CC[C@](O)(CN2CCCC2)C1	ZINC000257265087	244357600	/nfs/dbraw/zinc/35/76/00/244357600.db2.gz	LXHQKMNHKMACBO-AWEZNQCLSA-N	0	3	328.438	-0.050	40	0		EBABHN
CN(C)CCOC[C@H]1CN(S(=O)(=O)C2CC2)Cc2nnn(C)c21	ZINC000096198527	203862377	/nfs/dbraw/zinc/86/23/77/203862377.db2.gz	OUKPMEGZZRFLAW-LLVKDONJSA-N	0	3	343.453	-0.215	40	0		EBABHN
Cn1ncnc1C(=O)N1CCC2(CO[C@H](CN3CC[C@H](O)C3)C2)CC1	ZINC000585104502	376360978	/nfs/dbraw/zinc/36/09/78/376360978.db2.gz	PIEWCQYAIMGFCX-KBPBESRZSA-N	0	3	349.435	-0.107	40	0		EBABHN
CCOC(=O)N1CCC(O)(CN2C[C@@H]3OCC(=O)N(C)[C@H]3C2)CC1	ZINC000585283991	376522384	/nfs/dbraw/zinc/52/23/84/376522384.db2.gz	QGZCMQJQGFRRHW-STQMWFEESA-N	0	3	341.408	-0.489	40	0		EBABHN
O=C(c1ccc(Cl)cc1)N1CC[C@@H](O)[C@](O)(CNCCO)C1	ZINC000585285394	376522644	/nfs/dbraw/zinc/52/26/44/376522644.db2.gz	JKKCVSLYJMVCCX-HIFRSBDPSA-N	0	3	328.796	-0.140	40	0		EBABHN
C[C@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@@H]23	ZINC000054979046	379137528	/nfs/dbraw/zinc/13/75/28/379137528.db2.gz	QVCMHGGNRFRMAD-UHHUMBINSA-N	0	3	325.361	-0.393	40	0	biogenic,in-vitro	EBABHN
Cn1c2nc(NN)n(CCNCc3ccccc3)c2c(=O)[nH]c1=O	ZINC000618255975	382046021	/nfs/dbraw/zinc/04/60/21/382046021.db2.gz	CVLUFCNOYYDYCP-UHFFFAOYSA-N	0	3	329.364	-0.089	40	0		EBABHN
COc1ccc(S(=O)(=O)N(CCN)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575424427	382107392	/nfs/dbraw/zinc/10/73/92/382107392.db2.gz	AGBHBNYTJBNNKU-NSHDSACASA-N	0	3	348.446	-0.168	40	0		EBABHN
COCCN1C(=O)CO[C@H]2CN(C3CCN(C(C)=O)CC3)C[C@@H]21	ZINC000257219710	285005223	/nfs/dbraw/zinc/00/52/23/285005223.db2.gz	DHVABNPKVDSDCW-GJZGRUSLSA-N	0	3	325.409	-0.445	40	0		EBABHN
CN(C)CCOC[C@H]1CN(C(=O)c2ccncn2)Cc2nnn(C)c21	ZINC000096045458	419043212	/nfs/dbraw/zinc/04/32/12/419043212.db2.gz	PMUIZQCPZCOJBC-GFCCVEGCSA-N	0	3	345.407	-0.077	40	0		EBABHN
CC(=O)N1CCN(C[C@@]2(O)CCCN(C(=O)c3cnc[nH]3)CC2)CC1	ZINC000257326428	419302356	/nfs/dbraw/zinc/30/23/56/419302356.db2.gz	WXEADQDFASHCMM-QGZVFWFLSA-N	0	3	349.435	-0.069	40	0		EBABHN
CCn1cc(C(=O)N2CCN(C3CCOCC3)C[C@@H](C(N)=O)C2)cn1	ZINC000257255400	536027261	/nfs/dbraw/zinc/02/72/61/536027261.db2.gz	KHHQXIMJRHYUBP-CQSZACIVSA-N	0	3	349.435	-0.059	40	0		EBABHN
COC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccccc1	ZINC000019818065	202021850	/nfs/dbraw/zinc/02/18/50/202021850.db2.gz	VHXYZMHZVBSCRQ-ZIAGYGMSSA-N	0	3	344.371	-0.223	40	0		EBABHN
NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccc(F)cc2)CC1	ZINC000020465337	212134970	/nfs/dbraw/zinc/13/49/70/212134970.db2.gz	IEARSSSKVUHPEZ-FXUDXRNXSA-N	0	3	325.384	-0.604	40	0	biogenic,in-vitro	EBABHN
OC[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@H](N2CCOCC2)[C@@H]1O	ZINC000020464767	212134375	/nfs/dbraw/zinc/13/43/75/212134375.db2.gz	WYHSHELRUJUCSP-LTIDMASMSA-N	0	3	340.395	-0.263	40	0	biogenic,in-vitro	EBABHN
COC(=O)[C@@H]1CN(C(=O)CN)CCN1C(=O)OCc1ccccc1	ZINC000079418569	376085888	/nfs/dbraw/zinc/08/58/88/376085888.db2.gz	LZEKWDUICPQRAF-ZDUSSCGKSA-N	0	3	335.360	-0.032	40	0		EBABHN
CNC(=O)C[C@@]1(O)COCCN(C(=O)CN(C)C2CCCC2)C1	ZINC000585280196	376518956	/nfs/dbraw/zinc/51/89/56/376518956.db2.gz	CEKUYVXMLGCMIZ-INIZCTEOSA-N	0	3	327.425	-0.413	40	0		EBABHN
CC(C)N1CCN(c2nc3c(N)ncn(C[C@@H](O)CO)c-3n2)CC1	ZINC000005260927	381195666	/nfs/dbraw/zinc/19/56/66/381195666.db2.gz	RLJJWIPPVKXYTG-LLVKDONJSA-N	0	3	335.412	-0.756	40	0		EBABHN
CC(=O)N1CCN(C[C@]2(O)CCCN(C(=O)c3cnc[nH]3)CC2)CC1	ZINC000257326427	419302206	/nfs/dbraw/zinc/30/22/06/419302206.db2.gz	WXEADQDFASHCMM-KRWDZBQOSA-N	0	3	349.435	-0.069	40	0		EBABHN
CC(C)(N)C(=O)N1CCOC[C@](O)(CNC(=O)c2cscn2)C1	ZINC000257208311	535196187	/nfs/dbraw/zinc/19/61/87/535196187.db2.gz	BLPPQMDHXJKTFW-AWEZNQCLSA-N	0	3	342.421	-0.800	40	0		EBABHN
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCOCC(F)(F)F	ZINC000077312061	376340785	/nfs/dbraw/zinc/34/07/85/376340785.db2.gz	XZWXZUXXANFWSU-YVECIDJPSA-N	0	3	345.358	-0.115	40	0	in-vitro	EBABHN
CN(C)C(=O)CN1CCC[C@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1	ZINC000585099494	376361268	/nfs/dbraw/zinc/36/12/68/376361268.db2.gz	OCUWLXJUNWLRAI-QGZVFWFLSA-N	0	3	332.404	-0.098	40	0		EBABHN
O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNCCO)[C@@H](O)C1	ZINC000585290741	376524628	/nfs/dbraw/zinc/52/46/28/376524628.db2.gz	WMIIETRTCQTNKZ-ZFWWWQNUSA-N	0	3	328.796	-0.140	40	0		EBABHN
C[C@]1(C(=O)NCCN2CCCCC2)CN(S(C)(=O)=O)CCO1	ZINC000257312410	379201677	/nfs/dbraw/zinc/20/16/77/379201677.db2.gz	UNVHVLILZKGWFY-CQSZACIVSA-N	0	3	333.454	-0.361	40	0		EBABHN
CC(=O)NC1CCN(C[C@]2(O)CCN(C(=O)c3cnco3)C2)CC1	ZINC000257328733	419304016	/nfs/dbraw/zinc/30/40/16/419304016.db2.gz	XGWJAWWZVDUVEJ-MRXNPFEDSA-N	0	3	336.392	-0.148	40	0		EBABHN
COCc1cn(C[C@H]2C[C@@H](NCc3cccnc3)[C@H](O)[C@@H]2O)nn1	ZINC000225501727	420931130	/nfs/dbraw/zinc/93/11/30/420931130.db2.gz	XDJYIBVZQCAINN-MIGQKNRLSA-N	0	3	333.392	-0.280	40	0	biogenic,in-vitro	EBABHN
CN(C)C[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3nccn3C)O[C@@H]2[C@@H]1O	ZINC000225520379	420933764	/nfs/dbraw/zinc/93/37/64/420933764.db2.gz	PPDJXLYTKROVLY-TVJKQAJBSA-N	0	3	338.408	-0.726	40	0	biogenic,in-vitro	EBABHN
CN1CCN(C(=O)CCn2nnc3ccccc32)C[C@H](C(N)=O)C1	ZINC000257239589	244239546	/nfs/dbraw/zinc/23/95/46/244239546.db2.gz	HPZYWUVFFZQKSA-GFCCVEGCSA-N	0	3	330.392	-0.303	40	0		EBABHN
NC(=O)[C@@H]1CN(C(=O)c2cncnc2)CCN(C2CCOCC2)C1	ZINC000257241902	244243703	/nfs/dbraw/zinc/24/37/03/244243703.db2.gz	IADZHKWUWQRDFY-ZDUSSCGKSA-N	0	3	333.392	-0.485	40	0		EBABHN
Cc1nn(C)cc1C(=O)N1CCN(C2CCOCC2)C[C@H](C(N)=O)C1	ZINC000257251773	244271126	/nfs/dbraw/zinc/27/11/26/244271126.db2.gz	JSDDOMAXUGYIRF-ZDUSSCGKSA-N	0	3	349.435	-0.233	40	0		EBABHN
NC(=O)CCNC[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O	ZINC000585289423	376524190	/nfs/dbraw/zinc/52/41/90/376524190.db2.gz	FXLMPHSNQZOHQK-YJBOKZPZSA-N	0	3	349.431	-0.592	40	0		EBABHN
O=C(Cc1ccc(Cl)cc1)N1CC[C@@H](O)[C@](O)(CNCCO)C1	ZINC000585289460	376524383	/nfs/dbraw/zinc/52/43/83/376524383.db2.gz	HAMWXXHKSJEMKX-ZBFHGGJFSA-N	0	3	342.823	-0.211	40	0		EBABHN
CN(C)C(=O)[C@@H]1CN(CC2(O)CCCC2)CCN(S(C)(=O)=O)C1	ZINC000585282213	376522728	/nfs/dbraw/zinc/52/27/28/376522728.db2.gz	BSKWRIICZQTJKU-CYBMUJFWSA-N	0	3	347.481	-0.427	40	0		EBABHN
CN1CCC(NC(=O)[C@@H]2C[C@@H]3CCN(S(C)(=O)=O)C[C@H]3O2)CC1	ZINC000096043006	376487791	/nfs/dbraw/zinc/48/77/91/376487791.db2.gz	JLNPAJDCFFJKFI-FPMFFAJLSA-N	0	3	345.465	-0.364	40	0		EBABHN
CN(C)C/C=C/C(=O)N(C)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000585289078	376525363	/nfs/dbraw/zinc/52/53/63/376525363.db2.gz	FHKRBFWNDAYERE-XQCNYHOHSA-N	0	3	338.452	-0.724	40	0		EBABHN
[NH3+]CCCCC(=O)N1C[C@H](O)[C@@H](n2cc(Cl)c(=O)[n-]c2=O)C1	ZINC000257311522	379197276	/nfs/dbraw/zinc/19/72/76/379197276.db2.gz	UJWZOVQIQIADBH-UWVGGRQHSA-N	0	3	330.772	-0.525	40	0		EBABHN
COCCNC(=O)N[C@H]1CO[C@@H](CN2CCC[C@@H]2COC)[C@@H]1O	ZINC000514289021	419058375	/nfs/dbraw/zinc/05/83/75/419058375.db2.gz	OBEWYOHLCZNRSA-ZOBORPQBSA-N	0	3	331.413	-0.829	40	0	biogenic,in-vitro	EBABHN
CN1CCN(C[C@@]2(O)CCN(C(=O)c3ccc4n[nH]nc4c3)C2)CC1	ZINC000257276794	536414673	/nfs/dbraw/zinc/41/46/73/536414673.db2.gz	NVDAQARIRQDONQ-KRWDZBQOSA-N	0	3	344.419	-0.218	40	0		EBABHN
O[C@@H]1[C@@H](n2cncn2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccc2c(c1)OCO2	ZINC000952844664	803808954	/nfs/dbraw/zinc/80/89/54/803808954.db2.gz	FTCFDYIAECGALE-DGXTUMSLSA-N	0	3	346.343	-0.178	40	0	biogenic,in-vitro	EBABHN
COC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccccc1	ZINC000019818066	212072324	/nfs/dbraw/zinc/07/23/24/212072324.db2.gz	VHXYZMHZVBSCRQ-UONOGXRCSA-N	0	3	344.371	-0.223	40	0		EBABHN
CN(C)CCNC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1	ZINC000020457305	376008172	/nfs/dbraw/zinc/00/81/72/376008172.db2.gz	GXFMNFFFTATHOV-CYBMUJFWSA-N	0	3	327.406	-0.109	40	0		EBABHN
CNC(=O)c1cccc([C@@H]2CNCCN2CC(=O)N2CCOCC2)c1	ZINC000257228405	379191580	/nfs/dbraw/zinc/19/15/80/379191580.db2.gz	FTSBPLGYEGOEKR-INIZCTEOSA-N	0	3	346.431	-0.149	40	0		EBABHN
CNC(=O)[C@@H]1CN(C(C)=O)CCN(C(=O)CN2CCCCCC2)C1	ZINC000257257209	379193140	/nfs/dbraw/zinc/19/31/40/379193140.db2.gz	KOOHYJIWQMBGRQ-OAHLLOKOSA-N	0	3	338.452	-0.085	40	0		EBABHN
C[C@@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23	ZINC000000899315	287190357	/nfs/dbraw/zinc/19/03/57/287190357.db2.gz	QVCMHGGNRFRMAD-QZQODLAMSA-N	0	3	325.361	-0.393	40	0	endogenous,in-man	EBABHN
COc1ccc(COC[C@@H](O)CN(CCO)CCO)cc1OC	ZINC000002686823	375886111	/nfs/dbraw/zinc/88/61/11/375886111.db2.gz	FJMXRTQDSKUXKF-AWEZNQCLSA-N	0	3	329.393	-0.132	40	0		EBABHN
CN(C1CCN(C(=O)c2cccn2C)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585287959	376524684	/nfs/dbraw/zinc/52/46/84/376524684.db2.gz	JWUWPHYDBBANGV-OAGGEKHMSA-N	0	3	337.420	-0.318	40	0		EBABHN
CN(CC1CCN(C(=O)c2ccccn2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585288035	376525626	/nfs/dbraw/zinc/52/56/26/376525626.db2.gz	NURZTWKEVAOOCI-ZACQAIPSSA-N	0	3	349.431	-0.014	40	0		EBABHN
CCOCC(=O)N1CCN(C2CCOCC2)C[C@H](C(=O)NC)C1	ZINC000257291268	379196215	/nfs/dbraw/zinc/19/62/15/379196215.db2.gz	QGHTVLQFGSEVGM-ZDUSSCGKSA-N	0	3	327.425	-0.292	40	0		EBABHN
CN1CCN(S(=O)(=O)c2cnccc2N2CCNCC2)CC1	ZINC000072210666	419048797	/nfs/dbraw/zinc/04/87/97/419048797.db2.gz	RMBHFTJJUVSBDR-UHFFFAOYSA-N	0	3	325.438	-0.573	40	0		EBABHN
CNC(=O)[C@@H]1CN(CC2CCOCC2)CCN(S(C)(=O)=O)C1	ZINC000257328441	419303876	/nfs/dbraw/zinc/30/38/76/419303876.db2.gz	XFQOCLHXELDAIQ-CYBMUJFWSA-N	0	3	333.454	-0.648	40	0		EBABHN
CNC(=O)[C@@H]1CN(C(=O)Cn2cccn2)CCN(C2CCOCC2)C1	ZINC000257253157	244272655	/nfs/dbraw/zinc/27/26/55/244272655.db2.gz	JXUHYBVDDKRQSQ-AWEZNQCLSA-N	0	3	349.435	-0.432	40	0		EBABHN
CN1CCN(C[C@]2(O)CCN(C(=O)c3ccc4n[nH]nc4c3)C2)CC1	ZINC000257276795	244394409	/nfs/dbraw/zinc/39/44/09/244394409.db2.gz	NVDAQARIRQDONQ-QGZVFWFLSA-N	0	3	344.419	-0.218	40	0		EBABHN
Cn1c2nc(-[n+]3ccc(N4CCOCC4)cc3)[n-]c2c(=O)n(C)c1=O	ZINC000017064365	375998869	/nfs/dbraw/zinc/99/88/69/375998869.db2.gz	FMNCDWXSJPIPIK-UHFFFAOYSA-O	0	3	343.367	-0.926	40	0		EBABHN
Cn1c2nc(-[n+]3ccc(N4CCOCC4)cc3)nc-2c([O-])n(C)c1=O	ZINC000017064365	375998877	/nfs/dbraw/zinc/99/88/77/375998877.db2.gz	FMNCDWXSJPIPIK-UHFFFAOYSA-O	0	3	343.367	-0.926	40	0		EBABHN
CC(=O)N1CCC(O)(CN2C[C@@H]3CCCN3C[C@@H]2CCO)CC1	ZINC000585284719	376521558	/nfs/dbraw/zinc/52/15/58/376521558.db2.gz	VKFXVVSBTWHHIG-HOTGVXAUSA-N	0	3	325.453	-0.109	40	0		EBABHN
CNC(=O)[C@@H]1CN(CC2(O)CCCCC2)CCN(S(C)(=O)=O)C1	ZINC000257330001	379201834	/nfs/dbraw/zinc/20/18/34/379201834.db2.gz	XMJALVPIASGODN-CYBMUJFWSA-N	0	3	347.481	-0.379	40	0		EBABHN
CCN1CCN(S(=O)(=O)c2cnccc2N2CCNCC2)CC1	ZINC000072210668	419048746	/nfs/dbraw/zinc/04/87/46/419048746.db2.gz	RTKGLXKDLJWRDV-UHFFFAOYSA-N	0	3	339.465	-0.183	40	0		EBABHN
CN(C)CCOC[C@@H]1CN(C(=O)c2ccncn2)Cc2nnn(C)c21	ZINC000096045459	276763003	/nfs/dbraw/zinc/76/30/03/276763003.db2.gz	PMUIZQCPZCOJBC-LBPRGKRZSA-N	0	3	345.407	-0.077	40	0		EBABHN
CNC(=O)[C@@H]1CN(C(=O)c2nccn2C)CCN(C2CCOCC2)C1	ZINC000257243417	277245316	/nfs/dbraw/zinc/24/53/16/277245316.db2.gz	IGWPTMCKIFIJIU-ZDUSSCGKSA-N	0	3	349.435	-0.281	40	0		EBABHN
CNC(=O)[C@H]1CN(C)CCN(C(=O)CN2CCN(C(C)C)CC2)C1	ZINC000257204474	536398603	/nfs/dbraw/zinc/39/86/03/536398603.db2.gz	AUTQCBZIHWWEAC-HNNXBMFYSA-N	0	3	339.484	-0.851	40	0		EBABHN
CC(=O)N1CCC(O)(CN2C[C@H]3CCCN3C[C@@H]2CCO)CC1	ZINC000585284715	376522926	/nfs/dbraw/zinc/52/29/26/376522926.db2.gz	VKFXVVSBTWHHIG-CVEARBPZSA-N	0	3	325.453	-0.109	40	0		EBABHN
CN(C)CCN1CC2(CCN(C(=O)c3cnccn3)CC2)OCC1=O	ZINC000096070205	376489897	/nfs/dbraw/zinc/48/98/97/376489897.db2.gz	MQZIVDIUQRQZLJ-UHFFFAOYSA-N	0	3	347.419	-0.128	40	0		EBABHN
CC(C)N1C[C@@H]2COCCN2C2(CN(C(=O)N3CCOCC3)C2)C1	ZINC000604381850	378450176	/nfs/dbraw/zinc/45/01/76/378450176.db2.gz	RLZAYLAVJDXRAO-OAHLLOKOSA-N	0	3	338.452	-0.082	40	0	biogenic,in-vitro	EBABHN
CC(=O)NC1CCN(C[C@]2(O)CCN(C(=O)c3ccn(C)n3)C2)CC1	ZINC000257312423	379200754	/nfs/dbraw/zinc/20/07/54/379200754.db2.gz	UNWQWEOVDAVBBY-QGZVFWFLSA-N	0	3	349.435	-0.402	40	0		EBABHN
COCCN[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccccc2OC)[C@@H]1O	ZINC000096533302	379545689	/nfs/dbraw/zinc/54/56/89/379545689.db2.gz	TYNPPJNNDWJULG-OVYGPGRDSA-N	0	3	338.404	-0.126	40	0	biogenic,in-vitro	EBABHN
CN1CCN(C(=O)Cn2c3ccccc3oc2=O)C[C@@H](C(N)=O)C1	ZINC000257325128	419302021	/nfs/dbraw/zinc/30/20/21/419302021.db2.gz	WROUENQJAJUMIL-NSHDSACASA-N	0	3	332.360	-0.530	40	0		EBABHN
CN(C)C(=O)[C@@H]1CN(C2CCOCC2)CCN(S(C)(=O)=O)C1	ZINC000257210900	419302086	/nfs/dbraw/zinc/30/20/86/419302086.db2.gz	BWPWYOQUHIECRR-GFCCVEGCSA-N	0	3	333.454	-0.553	40	0		EBABHN
CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)CCn1nnc2ccccc21	ZINC000257327012	419302873	/nfs/dbraw/zinc/30/28/73/419302873.db2.gz	WZMSZGGCYSKLMA-YPMHNXCESA-N	0	3	330.392	-0.386	40	0		EBABHN
CC(=O)N1CCN([C@@H]2CN(C(=O)C3CCN(C)CC3)C[C@H]2O)CC1	ZINC000257270281	276996547	/nfs/dbraw/zinc/99/65/47/276996547.db2.gz	MTNBOESYURAXLV-HZPDHXFCSA-N	0	3	338.452	-0.936	40	0		EBABHN
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C(=O)[O-]	ZINC000002012357	280313380	/nfs/dbraw/zinc/31/33/80/280313380.db2.gz	YSPZCHGIWAQVKQ-AVGNSLFASA-N	0	3	342.440	-0.341	40	0		EBABHN
CNC(=O)[C@H]1CN(C)CCN(C(=O)Cn2c3ccccc3oc2=O)C1	ZINC000257207649	536398789	/nfs/dbraw/zinc/39/87/89/536398789.db2.gz	BIPYBVFFQIFVJX-LBPRGKRZSA-N	0	3	346.387	-0.269	40	0		EBABHN
CN(C)CCOC[C@H]1CN(C(=O)[C@H]2CCCO2)Cc2nnn(C)c21	ZINC000096045464	282109113	/nfs/dbraw/zinc/10/91/13/282109113.db2.gz	TZJZWEWFWJMCBN-TZMCWYRMSA-N	0	3	337.424	-0.002	40	0		EBABHN
COC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccccc1	ZINC000019818068	212072361	/nfs/dbraw/zinc/07/23/61/212072361.db2.gz	VHXYZMHZVBSCRQ-KBPBESRZSA-N	0	3	344.371	-0.223	40	0		EBABHN
COc1ccc(COC[C@H](O)CN(CCO)CCO)cc1OC	ZINC000002686821	375886693	/nfs/dbraw/zinc/88/66/93/375886693.db2.gz	FJMXRTQDSKUXKF-CQSZACIVSA-N	0	3	329.393	-0.132	40	0		EBABHN
COCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)N2CCOCC2)nn1	ZINC000008298082	375920370	/nfs/dbraw/zinc/92/03/70/375920370.db2.gz	LNBSKKFTXYRUKH-BMFZPTHFSA-N	0	3	349.435	-0.006	40	0	biogenic,in-vitro	EBABHN
CN(C)CCOC[C@@H]1CN(C(=O)c2ccnnc2)Cc2nnn(C)c21	ZINC000096068820	376488632	/nfs/dbraw/zinc/48/86/32/376488632.db2.gz	BBSPBFOFKZQRSH-ZDUSSCGKSA-N	0	3	345.407	-0.077	40	0		EBABHN
CC(C)N1CCN(c2nc3c(N)ncn(C[C@H](O)CO)c-3n2)CC1	ZINC000005260926	377378983	/nfs/dbraw/zinc/37/89/83/377378983.db2.gz	RLJJWIPPVKXYTG-NSHDSACASA-N	0	3	335.412	-0.756	40	0		EBABHN
CNC(=O)[C@H]1CN(C(C)=O)CCN(C(=O)CN2CCCCCC2)C1	ZINC000257257208	379192595	/nfs/dbraw/zinc/19/25/95/379192595.db2.gz	KOOHYJIWQMBGRQ-HNNXBMFYSA-N	0	3	338.452	-0.085	40	0		EBABHN
CNC(=O)[C@@H]1CN(C(=O)c2ccn(C)n2)CCN(C2CCOCC2)C1	ZINC000257282500	379195907	/nfs/dbraw/zinc/19/59/07/379195907.db2.gz	OTYUTFYUOUQHNM-ZDUSSCGKSA-N	0	3	349.435	-0.281	40	0		EBABHN
COCCN1C(=O)CO[C@H]2CN(C3CCN(C(C)=O)CC3)C[C@H]21	ZINC000067897306	285005199	/nfs/dbraw/zinc/00/51/99/285005199.db2.gz	DHVABNPKVDSDCW-CABCVRRESA-N	0	3	325.409	-0.445	40	0	biogenic,in-vitro	EBABHN
CN1CCC(N2C[C@H]3NS(=O)(=O)c4cccnc4O[C@H]3C2)CC1	ZINC000514289393	419059033	/nfs/dbraw/zinc/05/90/33/419059033.db2.gz	JVFYXIPLUBGIKY-OLZOCXBDSA-N	0	3	338.433	-0.101	40	0	biogenic,in-vitro	EBABHN
COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)C2CCOCC2)[C@H]1O	ZINC000514288885	419059754	/nfs/dbraw/zinc/05/97/54/419059754.db2.gz	JDFNXAOJMVQLGW-FXUDXRNXSA-N	0	3	342.436	-0.232	40	0	biogenic,in-vitro	EBABHN
Cc1cc(N)cc([C@@H]2CN(S(=O)(=O)N3CCOCC3)CCO2)n1	ZINC000257203247	244126315	/nfs/dbraw/zinc/12/63/15/244126315.db2.gz	APFADGCQMYFKCJ-AWEZNQCLSA-N	0	3	342.421	-0.077	40	0		EBABHN
Cn1ncnc1C(=O)N1CCC2(CO[C@@H](CN3CC[C@@H](O)C3)C2)CC1	ZINC000585104509	376361094	/nfs/dbraw/zinc/36/10/94/376361094.db2.gz	PIEWCQYAIMGFCX-ZIAGYGMSSA-N	0	3	349.435	-0.107	40	0		EBABHN
CCS(=O)(=O)N1CCC(CN(C)[C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585290512	376524725	/nfs/dbraw/zinc/52/47/25/376524725.db2.gz	DYCRMDFGNPIPAD-MCIONIFRSA-N	0	3	336.454	-0.900	40	0		EBABHN
Cn1nnc2c1CCN(S(C)(=O)=O)[C@@H]2COCCN1CCCC1	ZINC000096068742	376489294	/nfs/dbraw/zinc/48/92/94/376489294.db2.gz	ZKCPODACAFVJMB-CYBMUJFWSA-N	0	3	343.453	-0.214	40	0		EBABHN
COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1	ZINC000008298004	379756350	/nfs/dbraw/zinc/75/63/50/379756350.db2.gz	YNQJWRDDBUDAQZ-CFVMTHIKSA-N	0	3	337.424	-0.714	40	0	biogenic,in-vitro	EBABHN
CNC(=O)[C@@H]1CN(C)CCN(C(=O)CCn2nnc3ccccc32)C1	ZINC000257319393	419302295	/nfs/dbraw/zinc/30/22/95/419302295.db2.gz	VSFVCJRBDWZPNR-CYBMUJFWSA-N	0	3	344.419	-0.042	40	0		EBABHN
CNC(=O)[C@@H]1CN(C)CCN(C(=O)CN2CCN(C(C)C)CC2)C1	ZINC000257204475	244131177	/nfs/dbraw/zinc/13/11/77/244131177.db2.gz	AUTQCBZIHWWEAC-OAHLLOKOSA-N	0	3	339.484	-0.851	40	0		EBABHN
COCCC(=O)N1CC[C@@](O)(CN2CCC(NC(C)=O)CC2)C1	ZINC000257211935	244154437	/nfs/dbraw/zinc/15/44/37/244154437.db2.gz	CBDQBQXRJQPVHA-MRXNPFEDSA-N	0	3	327.425	-0.413	40	0		EBABHN
Cn1ccnc1C(=O)N1CCN(C2CCOCC2)C[C@H](C(N)=O)C1	ZINC000257248354	244263167	/nfs/dbraw/zinc/26/31/67/244263167.db2.gz	JDHIIHAWUPQRDJ-LBPRGKRZSA-N	0	3	335.408	-0.542	40	0		EBABHN
COC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccccc1	ZINC000019818067	212072239	/nfs/dbraw/zinc/07/22/39/212072239.db2.gz	VHXYZMHZVBSCRQ-KGLIPLIRSA-N	0	3	344.371	-0.223	40	0		EBABHN
COCCNC[C@]1(O)CN(S(=O)(=O)c2ccccc2)CC[C@H]1O	ZINC000585290383	376524177	/nfs/dbraw/zinc/52/41/77/376524177.db2.gz	QTASOSWNKZBSAX-CABCVRRESA-N	0	3	344.433	-0.591	40	0		EBABHN
O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(CNCCO)[C@@H](O)C1	ZINC000585286994	376521922	/nfs/dbraw/zinc/52/19/22/376521922.db2.gz	YRAPZVPKPDJBPO-HOCLYGCPSA-N	0	3	342.823	-0.211	40	0		EBABHN
CCOCC(=O)N1CCN(C2CCOCC2)C[C@@H](C(=O)NC)C1	ZINC000257291267	379194786	/nfs/dbraw/zinc/19/47/86/379194786.db2.gz	QGHTVLQFGSEVGM-CYBMUJFWSA-N	0	3	327.425	-0.292	40	0		EBABHN
CNC(=O)[C@H]1CN(C)CCN(C(=O)CCn2nnc3ccccc32)C1	ZINC000257319394	419302743	/nfs/dbraw/zinc/30/27/43/419302743.db2.gz	VSFVCJRBDWZPNR-ZDUSSCGKSA-N	0	3	344.419	-0.042	40	0		EBABHN
CC(=O)NC1CCN(C[C@@]2(O)CCN(C(=O)c3cnco3)C2)CC1	ZINC000257328732	419303723	/nfs/dbraw/zinc/30/37/23/419303723.db2.gz	XGWJAWWZVDUVEJ-INIZCTEOSA-N	0	3	336.392	-0.148	40	0		EBABHN
CC(C)CCn1c2c(nc1N1CCNCC1)n(C)c(=O)n(C)c2=O	ZINC000062720580	420883916	/nfs/dbraw/zinc/88/39/16/420883916.db2.gz	GAQPAVRXZZNVFX-UHFFFAOYSA-N	0	3	334.424	-0.111	40	0		EBABHN
CNC(=O)[C@H]1CN(C(=O)c2cncnc2)CCN(C2CCOCC2)C1	ZINC000257290780	277253217	/nfs/dbraw/zinc/25/32/17/277253217.db2.gz	QEHMPZOKWYZWTD-CQSZACIVSA-N	0	3	347.419	-0.224	40	0		EBABHN
CN(C)C(=O)[C@H]1CN(C2CCOCC2)CCN(S(C)(=O)=O)C1	ZINC000257210901	289026455	/nfs/dbraw/zinc/02/64/55/289026455.db2.gz	BWPWYOQUHIECRR-LBPRGKRZSA-N	0	3	333.454	-0.553	40	0		EBABHN
CN(C)Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)cc1	ZINC000257265570	535995657	/nfs/dbraw/zinc/99/56/57/535995657.db2.gz	LZFQMOKNRMBAAM-ZIAGYGMSSA-N	0	3	341.433	-0.517	40	0		EBABHN
COC[C@H]1CCCN1[C@H]1[C@@H](CNC(=O)NC(C)C)O[C@@H](CO)[C@H]1O	ZINC000020465308	212134564	/nfs/dbraw/zinc/13/45/64/212134564.db2.gz	JLEBGYALDKRHPW-NIFZNCRKSA-N	0	3	345.440	-0.706	40	0	biogenic,in-vitro	EBABHN
CN(C)C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccccn2)CC1	ZINC000020465666	212134441	/nfs/dbraw/zinc/13/44/41/212134441.db2.gz	KHQPUZYLVRKGBO-YQFWSFKMSA-N	0	3	336.436	-0.746	40	0	biogenic,in-vitro	EBABHN
NC(=O)[C@H]1CN(C(=O)c2ccc(=O)[nH]c2)CCN(C2CCOCC2)C1	ZINC000257208553	244142405	/nfs/dbraw/zinc/14/24/05/244142405.db2.gz	BMQHQUVLZMWHGO-CYBMUJFWSA-N	0	3	348.403	-0.175	40	0		EBABHN
NC(=O)[C@H]1CN(C(=O)c2cccc(=O)[nH]2)CCN(C2CCOCC2)C1	ZINC000257238864	244237548	/nfs/dbraw/zinc/23/75/48/244237548.db2.gz	HMVXDSKDPPUVGT-GFCCVEGCSA-N	0	3	348.403	-0.175	40	0		EBABHN
CN1CCN(C(=O)CCn2nnc3ccccc32)C[C@@H](C(N)=O)C1	ZINC000257239590	244239299	/nfs/dbraw/zinc/23/92/99/244239299.db2.gz	HPZYWUVFFZQKSA-LBPRGKRZSA-N	0	3	330.392	-0.303	40	0		EBABHN
Cn1ccnc1C(=O)N1CCN(C2CCOCC2)C[C@@H](C(N)=O)C1	ZINC000257248353	244263064	/nfs/dbraw/zinc/26/30/64/244263064.db2.gz	JDHIIHAWUPQRDJ-GFCCVEGCSA-N	0	3	335.408	-0.542	40	0		EBABHN
COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1	ZINC000008298002	376373853	/nfs/dbraw/zinc/37/38/53/376373853.db2.gz	YNQJWRDDBUDAQZ-YUELXQCFSA-N	0	3	337.424	-0.714	40	0	biogenic,in-vitro	EBABHN
CN(C)CCOc1ccc(C(=O)NC[C@@H]2COC[C@@H](O)[C@H]2O)cc1	ZINC000585285020	376522222	/nfs/dbraw/zinc/52/22/22/376522222.db2.gz	LIWWDKXAENLUAN-BMFZPTHFSA-N	0	3	338.404	-0.275	40	0		EBABHN
C[C@@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@@H]23	ZINC000090662319	296263766	/nfs/dbraw/zinc/26/37/66/296263766.db2.gz	QVCMHGGNRFRMAD-BRVNSFEWSA-N	0	3	325.361	-0.393	40	0	endogenous,in-man	EBABHN
CC(=O)N1CCOC[C@]2(CC[C@H](CNCc3cnc(N)nc3)O2)C1	ZINC000306132707	380771854	/nfs/dbraw/zinc/77/18/54/380771854.db2.gz	LPRHPIXQZCMEFL-ZBFHGGJFSA-N	0	3	335.408	-0.055	40	0		EBABHN
Cc1cc(=O)[nH]c(=O)n1[C@@H]1CN(C(=O)c2cccc(CN)c2)C[C@H]1O	ZINC000257232816	291970502	/nfs/dbraw/zinc/97/05/02/291970502.db2.gz	GMOFLNZCJPBUOC-ZIAGYGMSSA-N	0	3	344.371	-0.226	40	0		EBABHN
CC(=O)N1CCCN(C[C@@H]2OC[C@H](NCc3ccccn3)[C@H]2O)CC1	ZINC000514288657	419059439	/nfs/dbraw/zinc/05/94/39/419059439.db2.gz	JWSSUCKWGPDQHQ-OKZBNKHCSA-N	0	3	348.447	-0.146	40	0	biogenic,in-vitro	EBABHN
CN(CCC(=O)N1CCN(C)C[C@H](C(N)=O)C1)Cc1ccccn1	ZINC000257329957	419303905	/nfs/dbraw/zinc/30/39/05/419303905.db2.gz	XMEYBDZLKZQOMP-AWEZNQCLSA-N	0	3	333.436	-0.221	40	0		EBABHN
CN1CCN(CCNc2cc(C3CC3)nc(NCCCO)n2)CC1	ZINC000328989713	419504828	/nfs/dbraw/zinc/50/48/28/419504828.db2.gz	ILTQJVJUDDUSIB-UHFFFAOYSA-N	0	3	334.468	-0.349	40	0		EBABHN
CN1CCc2nc3n(c(=O)c2C1)CCN(S(=O)(=O)C1CC1)CC3	ZINC000306129863	290254745	/nfs/dbraw/zinc/25/47/45/290254745.db2.gz	IOZVGPIUMZXGPQ-UHFFFAOYSA-N	0	3	338.433	-0.419	40	0		EBABHN
CNC(=O)[C@H]1CN(C(=O)Cn2cccn2)CCN(C2CCOCC2)C1	ZINC000257253158	536396846	/nfs/dbraw/zinc/39/68/46/536396846.db2.gz	JXUHYBVDDKRQSQ-CQSZACIVSA-N	0	3	349.435	-0.432	40	0		EBABHN
CN1CCN(C[C@@]2(O)CCCN(C(=O)CCC(N)=O)CC2)CC1	ZINC000257300982	536415105	/nfs/dbraw/zinc/41/51/05/536415105.db2.gz	RWLHBMPVEKVHKD-MRXNPFEDSA-N	0	3	326.441	-0.757	40	0		EBABHN
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	ZINC000052969724	214157126	/nfs/dbraw/zinc/15/71/26/214157126.db2.gz	QVCMHGGNRFRMAD-CUFCCSJMSA-N	0	3	325.361	-0.393	40	0	in-man	EBABHN
Cn1cccc1CN[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCN(C)CC2)[C@H]1O	ZINC000020463868	212134536	/nfs/dbraw/zinc/13/45/36/212134536.db2.gz	UVNLNOCNJYUFFM-OVYGPGRDSA-N	0	3	336.436	-0.785	40	0	biogenic,in-vitro	EBABHN
CO[C@H]1CN(C2CCN(S(C)(=O)=O)CC2)C[C@@H]1CC(=O)N(C)C	ZINC000585277126	376516947	/nfs/dbraw/zinc/51/69/47/376516947.db2.gz	FYEFOMYWTOJMIN-JSGCOSHPSA-N	0	3	347.481	-0.165	40	0		EBABHN
CN(C)CCOC[C@H]1CN(C(=O)c2ccnnc2)Cc2nnn(C)c21	ZINC000096068819	376490006	/nfs/dbraw/zinc/49/00/06/376490006.db2.gz	BBSPBFOFKZQRSH-CYBMUJFWSA-N	0	3	345.407	-0.077	40	0		EBABHN
C[C@@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@H]23	ZINC000253634967	296263802	/nfs/dbraw/zinc/26/38/02/296263802.db2.gz	QVCMHGGNRFRMAD-DXUMZHCMSA-N	0	3	325.361	-0.393	40	0	endogenous,in-man	EBABHN
C[C@@]1(C(=O)NCCN2CCCCC2)CN(S(C)(=O)=O)CCO1	ZINC000257312409	379201526	/nfs/dbraw/zinc/20/15/26/379201526.db2.gz	UNVHVLILZKGWFY-AWEZNQCLSA-N	0	3	333.454	-0.361	40	0		EBABHN
CNC(=O)[C@H]1CN(C(=O)c2ccn(C)n2)CCN(C2CCOCC2)C1	ZINC000257282499	379194815	/nfs/dbraw/zinc/19/48/15/379194815.db2.gz	OTYUTFYUOUQHNM-CYBMUJFWSA-N	0	3	349.435	-0.281	40	0		EBABHN
CN(C)CCNC(=O)c1noc2c1CN(S(=O)(=O)C1CC1)CC2	ZINC000096254351	218723986	/nfs/dbraw/zinc/72/39/86/218723986.db2.gz	SLBRXYDWKZPJTI-UHFFFAOYSA-N	0	3	342.421	-0.184	40	0		EBABHN
CC(C)N1CCN(C(=O)Nc2cnc(N3CCNCC3)nc2)CC1=O	ZINC000333352113	381911308	/nfs/dbraw/zinc/91/13/08/381911308.db2.gz	RNUGYPUMMLMCDM-UHFFFAOYSA-N	0	3	347.423	-0.029	40	0		EBABHN
CCn1nnc2c1[C@@H](COCCN(C)C)CN(S(C)(=O)=O)C2	ZINC000096045536	419043819	/nfs/dbraw/zinc/04/38/19/419043819.db2.gz	OBAOULAAUMVNLR-LLVKDONJSA-N	0	3	331.442	-0.265	40	0		EBABHN
CN(C)CCOC[C@@H]1CN(C(=O)c2cnccn2)Cc2nnn(C)c21	ZINC000096045453	282108718	/nfs/dbraw/zinc/10/87/18/282108718.db2.gz	LLTUJLWUHYITDK-LBPRGKRZSA-N	0	3	345.407	-0.077	40	0		EBABHN
CNC(=O)[C@@H]1CN(C(=O)c2cnn(C)c2)CCN(C2CCOCC2)C1	ZINC000257202633	244123101	/nfs/dbraw/zinc/12/31/01/244123101.db2.gz	AMRSGRDURHRATC-AWEZNQCLSA-N	0	3	349.435	-0.281	40	0		EBABHN
NC(=O)[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)CCN(C2CCOCC2)C1	ZINC000257208554	244143695	/nfs/dbraw/zinc/14/36/95/244143695.db2.gz	BMQHQUVLZMWHGO-ZDUSSCGKSA-N	0	3	348.403	-0.175	40	0		EBABHN
Cc1nn(C)cc1C(=O)N1CCN(C2CCOCC2)C[C@@H](C(N)=O)C1	ZINC000257251772	244271575	/nfs/dbraw/zinc/27/15/75/244271575.db2.gz	JSDDOMAXUGYIRF-CYBMUJFWSA-N	0	3	349.435	-0.233	40	0		EBABHN
Cn1nnc2c1CCN(S(C)(=O)=O)[C@H]2COCCN1CCCC1	ZINC000096068741	376489539	/nfs/dbraw/zinc/48/95/39/376489539.db2.gz	ZKCPODACAFVJMB-ZDUSSCGKSA-N	0	3	343.453	-0.214	40	0		EBABHN
CS(=O)(=O)NCc1cnc2n1CCN(C[C@H]1CCOC1)CC2	ZINC000096197030	376492689	/nfs/dbraw/zinc/49/26/89/376492689.db2.gz	NVEURNZTUDPEQK-GFCCVEGCSA-N	0	3	328.438	-0.173	40	0		EBABHN
CN(C)CCN1C(=O)C[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cn(C)cn1	ZINC000096183814	376493379	/nfs/dbraw/zinc/49/33/79/376493379.db2.gz	JJYRUGCBIODVNE-NWDGAFQWSA-N	0	3	341.437	-0.654	40	0		EBABHN
CN(CCO)C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O	ZINC000585292000	376527874	/nfs/dbraw/zinc/52/78/74/376527874.db2.gz	WMJKKHROYCTUBE-ZBFHGGJFSA-N	0	3	342.823	-0.259	40	0		EBABHN
C[C@@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	ZINC000059817005	296263828	/nfs/dbraw/zinc/26/38/28/296263828.db2.gz	QVCMHGGNRFRMAD-SPGXYJMSSA-N	0	3	325.361	-0.393	40	0	in-man	EBABHN
CN(CCC(=O)N1CCN(C)C[C@@H](C(N)=O)C1)Cc1ccccn1	ZINC000257329958	419303976	/nfs/dbraw/zinc/30/39/76/419303976.db2.gz	XMEYBDZLKZQOMP-CQSZACIVSA-N	0	3	333.436	-0.221	40	0		EBABHN
CN(C)CCN(C)[C@H]1[C@@H](CNC(=O)C2CCCC2)O[C@@H](CO)[C@H]1O	ZINC000020464920	212134522	/nfs/dbraw/zinc/13/45/22/212134522.db2.gz	IAMLSXWCKDCAST-FXUDXRNXSA-N	0	3	343.468	-0.725	40	0	biogenic,in-vitro	EBABHN
COCCC(=O)N1CC[C@](O)(CN2CCC(NC(C)=O)CC2)C1	ZINC000257211934	244153980	/nfs/dbraw/zinc/15/39/80/244153980.db2.gz	CBDQBQXRJQPVHA-INIZCTEOSA-N	0	3	327.425	-0.413	40	0		EBABHN
[NH3+]Cc1ccc(C(=O)N2C[C@@H](O)[C@H](n3cc(F)c(=O)[n-]c3=O)C2)cc1	ZINC000257230137	244210811	/nfs/dbraw/zinc/21/08/11/244210811.db2.gz	GAZJCRQMGZSCRY-CHWSQXEVSA-N	0	3	348.334	-0.395	40	0		EBABHN
CC(=O)N1CC[C@H]2[C@@H](C[C@](C)(CO)N2CC(=O)N2CCOCC2)C1	ZINC000257254821	244278132	/nfs/dbraw/zinc/27/81/32/244278132.db2.gz	KEVATHAYKAEUNW-YQQAZPJKSA-N	0	3	339.436	-0.461	40	0		EBABHN
C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cnc(N2CCOCC2)nc1	ZINC000019576028	376004553	/nfs/dbraw/zinc/00/45/53/376004553.db2.gz	QRASVOAJWGNSAA-NUEKZKHPSA-N	0	3	333.436	-0.048	40	0		EBABHN
CS(=O)(=O)NCc1cnc2n1CCN(C[C@@H]1CCOC1)CC2	ZINC000096197029	376493357	/nfs/dbraw/zinc/49/33/57/376493357.db2.gz	NVEURNZTUDPEQK-LBPRGKRZSA-N	0	3	328.438	-0.173	40	0		EBABHN
CNC(=O)[C@H]1CN(CC2(O)CCCCC2)CCN(S(C)(=O)=O)C1	ZINC000257330002	419303460	/nfs/dbraw/zinc/30/34/60/419303460.db2.gz	XMJALVPIASGODN-ZDUSSCGKSA-N	0	3	347.481	-0.379	40	0		EBABHN
CCn1nnc2c1[C@H](COCCN(C)C)CN(S(C)(=O)=O)C2	ZINC000096045537	288771286	/nfs/dbraw/zinc/77/12/86/288771286.db2.gz	OBAOULAAUMVNLR-NSHDSACASA-N	0	3	331.442	-0.265	40	0		EBABHN
CNC(=O)[C@H]1CN(C(=O)c2nccn2C)CCN(C2CCOCC2)C1	ZINC000257243416	536397850	/nfs/dbraw/zinc/39/78/50/536397850.db2.gz	IGWPTMCKIFIJIU-CYBMUJFWSA-N	0	3	349.435	-0.281	40	0		EBABHN
COCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)N2CCOCC2)nn1	ZINC000008298079	584211110	/nfs/dbraw/zinc/21/11/10/584211110.db2.gz	LNBSKKFTXYRUKH-IMJJTQAJSA-N	0	3	349.435	-0.006	40	0	biogenic,in-vitro	EBABHN
Cc1nn(C)cc1S(=O)(=O)N1CC[C@@](O)(CN2CCCC2)C1	ZINC000257265088	244359142	/nfs/dbraw/zinc/35/91/42/244359142.db2.gz	LXHQKMNHKMACBO-CQSZACIVSA-N	0	3	328.438	-0.050	40	0		EBABHN
CN(C)C(=O)CN1CCC[C@@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1	ZINC000585099492	376360942	/nfs/dbraw/zinc/36/09/42/376360942.db2.gz	OCUWLXJUNWLRAI-KRWDZBQOSA-N	0	3	332.404	-0.098	40	0		EBABHN
Cn1ncnc1C(=O)N1CCC2(CO[C@@H](CN3CC[C@H](O)C3)C2)CC1	ZINC000585104507	376361299	/nfs/dbraw/zinc/36/12/99/376361299.db2.gz	PIEWCQYAIMGFCX-UONOGXRCSA-N	0	3	349.435	-0.107	40	0		EBABHN
Cn1ncnc1C(=O)N1CCC2(CO[C@H](CN3CC[C@@H](O)C3)C2)CC1	ZINC000585104506	376361536	/nfs/dbraw/zinc/36/15/36/376361536.db2.gz	PIEWCQYAIMGFCX-KGLIPLIRSA-N	0	3	349.435	-0.107	40	0		EBABHN
COCCNC[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	ZINC000585291034	376524452	/nfs/dbraw/zinc/52/44/52/376524452.db2.gz	HYQWTSNHOLDGEU-KGLIPLIRSA-N	0	3	330.406	-0.981	40	0		EBABHN
CN(C)CCNC(=O)[C@H]1Cn2nccc2CN(Cc2cnn(C)c2)C1	ZINC000096188832	376491771	/nfs/dbraw/zinc/49/17/71/376491771.db2.gz	BJLIVAVRCWKFID-OAHLLOKOSA-N	0	3	345.451	-0.074	40	0		EBABHN
CN(C)CCNC(=O)[C@@H]1Cn2nccc2CN(Cc2cnn(C)c2)C1	ZINC000096188833	376493294	/nfs/dbraw/zinc/49/32/94/376493294.db2.gz	BJLIVAVRCWKFID-HNNXBMFYSA-N	0	3	345.451	-0.074	40	0		EBABHN
COc1ccccc1N1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](N)[C@@H]2O)CC1	ZINC000012483907	211392067	/nfs/dbraw/zinc/39/20/67/211392067.db2.gz	VTVLARKVJSPAHU-OVYGPGRDSA-N	0	3	335.404	-0.371	40	0	biogenic,in-vitro	EBABHN
CC(=O)NC1CCN(C[C@@]2(O)CCN(C(=O)c3ccn(C)n3)C2)CC1	ZINC000257312422	379201547	/nfs/dbraw/zinc/20/15/47/379201547.db2.gz	UNWQWEOVDAVBBY-KRWDZBQOSA-N	0	3	349.435	-0.402	40	0		EBABHN
CN(C)C(=O)[C@@H]1CN(CC2CCOCC2)CCN(S(C)(=O)=O)C1	ZINC000257254331	419302809	/nfs/dbraw/zinc/30/28/09/419302809.db2.gz	KCPXBFIYQWXIEI-CQSZACIVSA-N	0	3	347.481	-0.305	40	0		EBABHN
C[C@@H](CO)Nc1nc(NCCN2CCN(C)CC2)cc(C2CC2)n1	ZINC000328989630	419507591	/nfs/dbraw/zinc/50/75/91/419507591.db2.gz	IKQHNLQUGKCLLR-ZDUSSCGKSA-N	0	3	334.468	-0.350	40	0		EBABHN
CN(C)CCNc1nc(NCCN2CCN(C)CC2)cc(C2CC2)n1	ZINC000328967214	419508165	/nfs/dbraw/zinc/50/81/65/419508165.db2.gz	CRCCJKYXWITHLE-UHFFFAOYSA-N	0	3	347.511	-0.169	40	0		EBABHN
C[C@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@H]23	ZINC000054979045	214261867	/nfs/dbraw/zinc/26/18/67/214261867.db2.gz	QVCMHGGNRFRMAD-PXLMAEHWSA-N	0	3	325.361	-0.393	40	0		EBABHN
Cc1cc(N)cc([C@H]2CN(S(=O)(=O)N3CCOCC3)CCO2)n1	ZINC000257203248	244126621	/nfs/dbraw/zinc/12/66/21/244126621.db2.gz	APFADGCQMYFKCJ-CQSZACIVSA-N	0	3	342.421	-0.077	40	0		EBABHN
O=C(CCn1cnnn1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1	ZINC000257231484	244214837	/nfs/dbraw/zinc/21/48/37/244214837.db2.gz	GGXORHOJURNODZ-CYBMUJFWSA-N	0	3	344.366	-0.242	40	0		EBABHN
CC(=O)N1CCNC[C@H]1C(=O)N1CCC(c2cc(CCO)[nH]n2)CC1	ZINC000257252771	244272461	/nfs/dbraw/zinc/27/24/61/244272461.db2.gz	JWCJMLDLHCOJDZ-INIZCTEOSA-N	0	3	349.435	-0.529	40	0		EBABHN
CN(C)C(=O)[C@H]1CN(CC2CCOCC2)CCN(S(C)(=O)=O)C1	ZINC000257254330	244278555	/nfs/dbraw/zinc/27/85/55/244278555.db2.gz	KCPXBFIYQWXIEI-AWEZNQCLSA-N	0	3	347.481	-0.305	40	0		EBABHN
COCC(=O)N1CCc2c(nnn2C)[C@H]1COCCN1CCCC1	ZINC000096045317	376487462	/nfs/dbraw/zinc/48/74/62/376487462.db2.gz	JZWMNUPNAPECLM-CQSZACIVSA-N	0	3	337.424	0.000	40	0		EBABHN
C[C@@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	ZINC000000409216	296263601	/nfs/dbraw/zinc/26/36/01/296263601.db2.gz	QVCMHGGNRFRMAD-FKHLYAMYSA-N	0	3	325.361	-0.393	40	0	endogenous,in-man	EBABHN
Cn1c2ncn([C@H]3CN(CC4CC4)CC[C@]3(C)O)c2c(=O)n(C)c1=O	ZINC000257341601	379202675	/nfs/dbraw/zinc/20/26/75/379202675.db2.gz	ZLAGXNKKMBSWNU-SJCJKPOMSA-N	0	3	347.419	-0.159	40	0		EBABHN
CN(C)CCNC(=O)c1ncn2c1CNS(=O)(=O)c1ccccc1-2	ZINC000096266073	419042912	/nfs/dbraw/zinc/04/29/12/419042912.db2.gz	BLSBYYLHZMBHJL-UHFFFAOYSA-N	0	3	349.416	-0.044	40	0		EBABHN
CNC(=O)[C@@H]1CN(C)CCN(C2CCN(S(C)(=O)=O)CC2)C1	ZINC000257228628	419302103	/nfs/dbraw/zinc/30/21/03/419302103.db2.gz	FUPVBTBVKPMZFM-GFCCVEGCSA-N	0	3	332.470	-0.980	40	0		EBABHN
CNC(=O)[C@@H]1CN(C)CCN(C(=O)Cn2c3ccccc3oc2=O)C1	ZINC000257207648	244140966	/nfs/dbraw/zinc/14/09/66/244140966.db2.gz	BIPYBVFFQIFVJX-GFCCVEGCSA-N	0	3	346.387	-0.269	40	0		EBABHN
CC(=O)NC1CCN(C[C@@]2(O)CCN(C(=O)c3cnn(C)c3)C2)CC1	ZINC000257225612	244199287	/nfs/dbraw/zinc/19/92/87/244199287.db2.gz	FGZRUEXUJBEFQN-KRWDZBQOSA-N	0	3	349.435	-0.402	40	0		EBABHN
CNC(=O)[C@@H]1CN(C)CCN(C(=O)CN(C)Cc2cccnc2)C1	ZINC000257263150	244352708	/nfs/dbraw/zinc/35/27/08/244352708.db2.gz	LOQGRZYLLNZMAH-OAHLLOKOSA-N	0	3	333.436	-0.350	40	0		EBABHN
CN(C)CCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1	ZINC000020457303	376008718	/nfs/dbraw/zinc/00/87/18/376008718.db2.gz	GXFMNFFFTATHOV-ZDUSSCGKSA-N	0	3	327.406	-0.109	40	0		EBABHN
O=C1CO[C@H]2CN(CC3(O)CCOCC3)C[C@@H]2N1C1CCOCC1	ZINC000585263039	376504205	/nfs/dbraw/zinc/50/42/05/376504205.db2.gz	WORSLBKAYCNFAL-GJZGRUSLSA-N	0	3	340.420	-0.382	40	0		EBABHN
CN(C)C(=O)[C@H]1CN(CC2(O)CCCC2)CCN(S(C)(=O)=O)C1	ZINC000585282214	376521823	/nfs/dbraw/zinc/52/18/23/376521823.db2.gz	BSKWRIICZQTJKU-ZDUSSCGKSA-N	0	3	347.481	-0.427	40	0		EBABHN
O=S(=O)(C1CC1)N1C[C@@H]2[C@H](C1)OCCN2CCN1CCCC1	ZINC000096054395	376487131	/nfs/dbraw/zinc/48/71/31/376487131.db2.gz	YFURCWQVLQZHKX-CABCVRRESA-N	0	3	329.466	-0.041	40	0		EBABHN
OCCCN1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C1	ZINC000514289193	419058884	/nfs/dbraw/zinc/05/88/84/419058884.db2.gz	JDOXFTDPDJWHJF-IAGOWNOFSA-N	0	3	332.448	-0.231	40	0	biogenic,in-vitro	EBABHN
CN1CCN(C(=O)Cn2c3ccccc3oc2=O)C[C@H](C(N)=O)C1	ZINC000257325127	419302513	/nfs/dbraw/zinc/30/25/13/419302513.db2.gz	WROUENQJAJUMIL-LLVKDONJSA-N	0	3	332.360	-0.530	40	0		EBABHN
NC(=O)[C@@H](N)CCC(=O)N1C[C@@H](O)[C@@H](Cc2ccc3nccn3c2)C1	ZINC000257329720	419303470	/nfs/dbraw/zinc/30/34/70/419303470.db2.gz	XLFRKWMMXIBAPK-MELADBBJSA-N	0	3	345.403	-0.711	40	0		EBABHN
CNC(=O)C1(N2CCC[C@H]2C(=O)N(C)CCN(C)C)CCOCC1	ZINC000096113125	290353354	/nfs/dbraw/zinc/35/33/54/290353354.db2.gz	HPBBSRYHHVJBMR-AWEZNQCLSA-N	0	3	340.468	-0.234	40	0	biogenic,in-vitro	EBABHN
COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(COC)nn1	ZINC000008298023	649931827	/nfs/dbraw/zinc/93/18/27/649931827.db2.gz	CDRIADDHDXCZDT-CFVMTHIKSA-N	0	3	337.424	-0.103	40	0	biogenic,in-vitro	EBABHN
O=C([C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1)N1CCOCC1	ZINC000008298035	649932514	/nfs/dbraw/zinc/93/25/14/649932514.db2.gz	ICCDSWRSQYGCNP-IMJJTQAJSA-N	0	3	349.435	-0.618	40	0	biogenic,in-vitro	EBABHN
COc1ccc(S(=O)(=O)N(C)CC(=O)NCCN(C)C)cc1	ZINC000222745888	241553250	/nfs/dbraw/zinc/55/32/50/241553250.db2.gz	ZLHGQMOYDKXCNG-UHFFFAOYSA-N	0	3	329.422	-0.007	40	0		EBABHN
CN1CCN([C@H]2CCN(C(=O)CCn3ccnc3)CC[C@@H]2O)CC1	ZINC000257240664	244240966	/nfs/dbraw/zinc/24/09/66/244240966.db2.gz	HUOFSEHTRNBABZ-HOTGVXAUSA-N	0	3	335.452	-0.128	40	0		EBABHN
CO[C@@H]1COC[C@@H](N(C)C(=O)CC[C@@H](C)N2CCN(C)CC2)[C@@H]1O	ZINC000585287366	376521159	/nfs/dbraw/zinc/52/11/59/376521159.db2.gz	YXBBIQQAINWAQP-ANQUJSFKSA-N	0	3	343.468	-0.364	40	0		EBABHN
CN(CCO)C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O	ZINC000585289484	376525420	/nfs/dbraw/zinc/52/54/20/376525420.db2.gz	ICHRCZWPCRPFCW-WMZOPIPTSA-N	0	3	336.432	-0.132	40	0		EBABHN
CN(C)C[C@@H]1COc2ccccc2CN1C(=O)CN1C(=O)CNC1=O	ZINC000012366166	211356674	/nfs/dbraw/zinc/35/66/74/211356674.db2.gz	DFADSDKUDLWPOA-CYBMUJFWSA-N	0	3	346.387	-0.110	40	0		EBABHN
Cc1nn(C)cc1S(=O)(=O)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O	ZINC000257265592	379194155	/nfs/dbraw/zinc/19/41/55/379194155.db2.gz	LZHZHPORWVCQQA-YRGRVCCFSA-N	0	3	328.438	-0.005	40	0		EBABHN
CNC(=O)[C@@H]1CN(C(=O)c2cncnc2)CCN(C2CCOCC2)C1	ZINC000257290779	379195585	/nfs/dbraw/zinc/19/55/85/379195585.db2.gz	QEHMPZOKWYZWTD-AWEZNQCLSA-N	0	3	347.419	-0.224	40	0		EBABHN
NCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1	ZINC000575421549	382108363	/nfs/dbraw/zinc/10/83/63/382108363.db2.gz	JABXMQDHNCSKBL-LLVKDONJSA-N	0	3	336.410	-0.038	40	0		EBABHN
NC(=O)[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)CCN(C2CCOCC2)C1	ZINC000257238865	244238034	/nfs/dbraw/zinc/23/80/34/244238034.db2.gz	HMVXDSKDPPUVGT-LBPRGKRZSA-N	0	3	348.403	-0.175	40	0		EBABHN
COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(COC)nn1	ZINC000008298022	376372884	/nfs/dbraw/zinc/37/28/84/376372884.db2.gz	CDRIADDHDXCZDT-YUELXQCFSA-N	0	3	337.424	-0.103	40	0	biogenic,in-vitro	EBABHN
CN(CC1CCN(C(=O)c2cnco2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585288392	376524019	/nfs/dbraw/zinc/52/40/19/376524019.db2.gz	ZIDUIHHBCRRAIM-NFAWXSAZSA-N	0	3	339.392	-0.421	40	0		EBABHN
CNC(=O)c1cccc([C@H]2CNCCN2CC(=O)N2CCOCC2)c1	ZINC000257228406	379192279	/nfs/dbraw/zinc/19/22/79/379192279.db2.gz	FTSBPLGYEGOEKR-MRXNPFEDSA-N	0	3	346.431	-0.149	40	0		EBABHN
COCC(=O)NC[C@]1(O)CCN(CC2(O)CCCCC2)C[C@H]1O	ZINC000257286139	379195111	/nfs/dbraw/zinc/19/51/11/379195111.db2.gz	PKLLEFYTDMWANN-CZUORRHYSA-N	0	3	330.425	-0.758	40	0		EBABHN
CC(=O)NC1CCN(C[C@@]2(O)CCN(C(=O)c3cncnc3)C2)CC1	ZINC000257284325	379195847	/nfs/dbraw/zinc/19/58/47/379195847.db2.gz	PCFYOTRIMRVFIA-KRWDZBQOSA-N	0	3	347.419	-0.346	40	0		EBABHN
NCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1	ZINC000575421550	382107722	/nfs/dbraw/zinc/10/77/22/382107722.db2.gz	JABXMQDHNCSKBL-NSHDSACASA-N	0	3	336.410	-0.038	40	0		EBABHN
CN(C)CCOC[C@@H]1CN(C(=O)[C@H]2CCCO2)Cc2nnn(C)c21	ZINC000096045465	419043318	/nfs/dbraw/zinc/04/33/18/419043318.db2.gz	TZJZWEWFWJMCBN-GXTWGEPZSA-N	0	3	337.424	-0.002	40	0		EBABHN
C[C@H](CO)Nc1nc(NCCN2CCN(C)CC2)cc(C2CC2)n1	ZINC000328989629	419505381	/nfs/dbraw/zinc/50/53/81/419505381.db2.gz	IKQHNLQUGKCLLR-CYBMUJFWSA-N	0	3	334.468	-0.350	40	0		EBABHN
CN(CCO)C[C@]1(O)CN(C(=O)CCc2ccccc2)CC[C@H]1O	ZINC000585285702	376522123	/nfs/dbraw/zinc/52/21/23/376522123.db2.gz	LZMDOTYMZCPECN-AEFFLSMTSA-N	0	3	336.432	-0.132	40	0		EBABHN
CCS(=O)(=O)N1Cc2nnn(C)c2[C@@H](COCCN(C)C)C1	ZINC000096060689	376487116	/nfs/dbraw/zinc/48/71/16/376487116.db2.gz	DSHOPTZDZIWCMQ-LLVKDONJSA-N	0	3	331.442	-0.358	40	0		EBABHN
CCS(=O)(=O)N1Cc2nnn(C)c2[C@H](COCCN(C)C)C1	ZINC000096060688	376487656	/nfs/dbraw/zinc/48/76/56/376487656.db2.gz	DSHOPTZDZIWCMQ-NSHDSACASA-N	0	3	331.442	-0.358	40	0		EBABHN
Cc1cnn(CC(=O)N2CCN(C3CCOCC3)C[C@@H](C(N)=O)C2)c1	ZINC000257201043	244121284	/nfs/dbraw/zinc/12/12/84/244121284.db2.gz	AFYBJFKILKMNAS-CQSZACIVSA-N	0	3	349.435	-0.384	40	0		EBABHN
OCCCN1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C1	ZINC000514289191	419058742	/nfs/dbraw/zinc/05/87/42/419058742.db2.gz	JDOXFTDPDJWHJF-DLBZAZTESA-N	0	3	332.448	-0.231	40	0	biogenic,in-vitro	EBABHN
CCn1cc(C(=O)N2CCN(C3CCOCC3)C[C@H](C(N)=O)C2)cn1	ZINC000257255399	536027705	/nfs/dbraw/zinc/02/77/05/536027705.db2.gz	KHHQXIMJRHYUBP-AWEZNQCLSA-N	0	3	349.435	-0.059	40	0		EBABHN
CN(C)CCOc1cccc(C(=O)NC[C@@H]2COC[C@@H](O)[C@H]2O)c1	ZINC000585285676	376521455	/nfs/dbraw/zinc/52/14/55/376521455.db2.gz	QKLCNIXTPHQAGE-BMFZPTHFSA-N	0	3	338.404	-0.275	40	0		EBABHN
CO[C@@H]1COC[C@@H](N(C)C(=O)CC[C@H](C)N2CCN(C)CC2)[C@@H]1O	ZINC000585287367	376522749	/nfs/dbraw/zinc/52/27/49/376522749.db2.gz	YXBBIQQAINWAQP-HWMZRRJGSA-N	0	3	343.468	-0.364	40	0		EBABHN
CN(C)C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccccc2)CC1	ZINC000020464806	212135137	/nfs/dbraw/zinc/13/51/37/212135137.db2.gz	SXTRNCRRISSHPG-VSZNYVQBSA-N	0	3	335.448	-0.141	40	0	biogenic,in-vitro	EBABHN
CNC(=O)[C@@H]1CN(C(=O)c2cnccn2)CCN(C2CCOCC2)C1	ZINC000257225669	244198969	/nfs/dbraw/zinc/19/89/69/244198969.db2.gz	FHGKSGZSZNRHTO-ZDUSSCGKSA-N	0	3	347.419	-0.224	40	0		EBABHN
COCC(=O)N1CCc2c(nnn2C)[C@@H]1COCCN1CCCC1	ZINC000096045316	376486941	/nfs/dbraw/zinc/48/69/41/376486941.db2.gz	JZWMNUPNAPECLM-AWEZNQCLSA-N	0	3	337.424	0.000	40	0		EBABHN
O=C([C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1)N1CCOCC1	ZINC000008298093	379755447	/nfs/dbraw/zinc/75/54/47/379755447.db2.gz	UOHPYQWHMVSJQF-CFVMTHIKSA-N	0	3	335.408	-0.660	40	0	biogenic,in-vitro	EBABHN
COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CNC3)C2=O)cc1	ZINC000225384272	286304147	/nfs/dbraw/zinc/30/41/47/286304147.db2.gz	OARXVMBFMDTQJC-OCCSQVGLSA-N	0	3	331.372	-0.659	40	0	biogenic,in-vitro	EBABHN
CC(C)(N)C(=O)N1CCOC[C@@](O)(CNC(=O)c2cscn2)C1	ZINC000257208312	535195272	/nfs/dbraw/zinc/19/52/72/535195272.db2.gz	BLPPQMDHXJKTFW-CQSZACIVSA-N	0	3	342.421	-0.800	40	0		EBABHN
CNC(=O)[C@H]1CN(C(=O)c2cnccn2)CCN(C2CCOCC2)C1	ZINC000257225668	536398293	/nfs/dbraw/zinc/39/82/93/536398293.db2.gz	FHGKSGZSZNRHTO-CYBMUJFWSA-N	0	3	347.419	-0.224	40	0		EBABHN
CN1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNS(C)(=O)=O)CC1	ZINC000022926957	563651166	/nfs/dbraw/zinc/65/11/66/563651166.db2.gz	JRPCDWWWPLMOIG-SOUVJXGZSA-N	0	3	330.498	-0.507	40	0	biogenic,in-vitro	EBABHN
COc1ccccc1N1CCN([C@H]2[C@@H](CN)O[C@@H](CO)[C@H]2O)CC1	ZINC000020465492	212134649	/nfs/dbraw/zinc/13/46/49/212134649.db2.gz	UGGLHOWTLWWFMM-LTIDMASMSA-N	0	3	337.420	-0.735	40	0	biogenic,in-vitro	EBABHN
C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cnc(N2CCOCC2)nc1	ZINC000019576030	376004637	/nfs/dbraw/zinc/00/46/37/376004637.db2.gz	QRASVOAJWGNSAA-CWRNSKLLSA-N	0	3	333.436	-0.048	40	0		EBABHN
C[C@@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	ZINC000052969719	296263607	/nfs/dbraw/zinc/26/36/07/296263607.db2.gz	QVCMHGGNRFRMAD-IKNRFXQBSA-N	0	3	325.361	-0.393	40	0	in-man	EBABHN
CN(CCC(=O)N1C[C@@H](O)[C@H](N2CCOCC2)C1)Cc1ccccn1	ZINC000257304716	379199057	/nfs/dbraw/zinc/19/90/57/379199057.db2.gz	SMVQQXZRNOSULH-IAGOWNOFSA-N	0	3	348.447	-0.193	40	0		EBABHN
CN(C)CCNc1nc(NCCN2CCOCC2)cc(C2CC2)n1	ZINC000329025202	419504970	/nfs/dbraw/zinc/50/49/70/419504970.db2.gz	PELGKCIHLQPXPL-UHFFFAOYSA-N	0	3	334.468	-0.085	40	0		EBABHN
CN(C)C[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3cnn(C)c3)O[C@@H]2[C@@H]1O	ZINC000225517280	420934028	/nfs/dbraw/zinc/93/40/28/420934028.db2.gz	TWYPIUURBSYSMD-HGYYMRRCSA-N	0	3	338.408	-0.726	40	0	biogenic,in-vitro	EBABHN