smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCN(C/C=C/c2ccccc2)CC1	ZINC000020612084	195185915	/nfs/dbraw/zinc/18/59/15/195185915.db2.gz	ROHRUTAYOFATLK-OAAFBRJGSA-N	1	0	450.623	3.844	40	30		JHEBRO
N#Cc1cccc([C@@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C3CCCCC3)CC2)c1	ZINC000022574836	526732030	/nfs/dbraw/zinc/73/20/30/526732030.db2.gz	VUENPGQZQSDEJN-SANMLTNESA-N	1	0	455.610	3.827	40	30		JHEBRO
COC(=O)C[N+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2ccc(Cl)cc2)OCO3)C1	ZINC000008964479	554838416	/nfs/dbraw/zinc/83/84/16/554838416.db2.gz	MJTOTNNEHJOGOI-RMKNXTFCSA-N	1	0	458.918	3.649	40	30		JHEBRO
COc1cccc(N2CC[N@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@]56O[C@@H]6[C@@H]43)C[C@H]2C)c1	ZINC000061991200	569609644	/nfs/dbraw/zinc/60/96/44/569609644.db2.gz	WANPKANMTAFMSM-MELDKPOLSA-N	1	0	454.611	3.731	40	30		JHEBRO
COc1cccc(N2CC[N@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)C[C@@H]2C)c1	ZINC000059408900	195399212	/nfs/dbraw/zinc/39/92/12/195399212.db2.gz	WANPKANMTAFMSM-NZPGQAAJSA-N	1	0	454.611	3.731	40	30		JHEBRO
C=C(C)CN1c2ccccc2[C@@]2([NH2+][C@@H](CC(C)C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O	ZINC000015319932	518606555	/nfs/dbraw/zinc/60/65/55/518606555.db2.gz	OYWJODSMLODSRH-ZSSMMQHUSA-N	1	0	457.574	3.624	40	30		JHEBRO
C[NH+]1CCC(N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCC(c3ccccc3)CC2)CC1	ZINC000059489996	569605990	/nfs/dbraw/zinc/60/59/90/569605990.db2.gz	SJECFYFJQWXSAM-UHFFFAOYSA-N	1	0	471.583	3.657	40	30		JHEBRO
C=C(C)CN1c2ccccc2[C@@]2([NH2+][C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000100162611	569754299	/nfs/dbraw/zinc/75/42/99/569754299.db2.gz	LWGMZSXGBRSPCX-OWLPFRGLSA-N	1	0	477.564	3.825	40	30		JHEBRO
C=C(C)CN1c2ccccc2[C@]2([NH2+][C@@H](Cc3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O	ZINC000012363814	518606048	/nfs/dbraw/zinc/60/60/48/518606048.db2.gz	GTZCSJJQGXSSJR-AXWQWZDISA-N	1	0	491.591	3.821	40	30		JHEBRO
O[C@H](CO/N=C(/c1ccncc1)c1ccc(Br)cc1)C[NH+]1CCN(c2ccccc2)CC1	ZINC000016489065	526283873	/nfs/dbraw/zinc/28/38/73/526283873.db2.gz	JZSZHNXJTLRVBK-HELSZXIZSA-N	1	0	495.421	3.796	40	30		JHEBRO
C=C(C)CN1c2ccccc2[C@@]2([NH2+][C@@H](Cc3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O	ZINC000018129296	556292254	/nfs/dbraw/zinc/29/22/54/556292254.db2.gz	GTZCSJJQGXSSJR-XHQAOKIUSA-N	1	0	491.591	3.821	40	30		JHEBRO
NC(=S)NN=C(CC[NH+]1CCCC1)C[C@H](c1ccccc1)C1C(=O)O[C@H]2CCCC=C2C1=O	ZINC000104296031	569844903	/nfs/dbraw/zinc/84/49/03/569844903.db2.gz	ZKWYVCDYODDQID-MTVJJAAISA-N	1	0	468.623	3.683	40	30		JHEBRO
O=C1C[C@H]2OCC=C3C[N@@H+]4CC[C@@]56c7cc(/N=C/c8ccc([N+](=O)[O-])cc8)ccc7N1[C@@H]5[C@@H]2[C@@H]3C[C@@H]46	ZINC000226047131	570034134	/nfs/dbraw/zinc/03/41/34/570034134.db2.gz	CXHIOPALQZANEL-HRFUZRPUSA-N	1	0	482.540	3.751	40	30		JHEBRO
C[NH+](C)CCCNc1nc(Nc2cccc(C#N)c2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329016403	570181841	/nfs/dbraw/zinc/18/18/41/570181841.db2.gz	NFRGJKHTNCYIQV-UHFFFAOYSA-N	1	0	456.472	3.865	40	30		JHEBRO
O[C@@H](CO/N=C(/c1ccncc1)c1ccc(Br)cc1)C[NH+]1CCN(c2ccccc2)CC1	ZINC000016489060	527657083	/nfs/dbraw/zinc/65/70/83/527657083.db2.gz	JZSZHNXJTLRVBK-CZSVHLHGSA-N	1	0	495.421	3.796	40	30		JHEBRO
COc1ccc2c(c1O)[C@@]13C=C(OS(=O)(=O)c4ccc(C)cc4)C=C[C@H]1[C@@H](C2)[N@@H+](C)CC3	ZINC000004972553	554484507	/nfs/dbraw/zinc/48/45/07/554484507.db2.gz	XGADJFSQHMBDSQ-BKSPAHHJSA-N	1	0	453.560	3.683	40	30		JHEBRO
C[n+]1c2ccccc2c(C(=O)Oc2ccc(CCC(=O)ON3C(=O)CCC3=O)cc2)c2ccccc21	ZINC000064858470	569639038	/nfs/dbraw/zinc/63/90/38/569639038.db2.gz	ZDVWPPFTKCGYBB-UHFFFAOYSA-N	1	0	483.500	3.577	40	30	in-vitro	JHEBRO
CCCCCCCCCCCCCCCCCC[N+](C)(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000101011822	569779093	/nfs/dbraw/zinc/77/90/93/569779093.db2.gz	JSMLJHVNWQPILB-BKKFENPESA-N	1	0	462.736	3.760	40	30		JHEBRO
CCCC/[NH+]=C/[C@]12CC[C@H](O)C[C@]1(O)CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]([C@@H]3C=CC(=O)O3)CC[C@@]12O	ZINC000257198711	570107399	/nfs/dbraw/zinc/10/73/99/570107399.db2.gz	GUUQBVHAKHDDDB-MFDKAJPSSA-N	1	0	459.627	3.569	40	30		JHEBRO
C[NH+](C)CCCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccncc1	ZINC000006878651	554560208	/nfs/dbraw/zinc/56/02/08/554560208.db2.gz	DCGPPJLNPOAXJR-UHFFFAOYSA-N	1	0	481.651	3.835	40	30		JHEBRO
COc1cccc(N2CC[N@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@@H]43)C[C@H]2C)c1	ZINC000061991197	569609634	/nfs/dbraw/zinc/60/96/34/569609634.db2.gz	BHDFYQPSESKSJM-IMFPBUQOSA-N	1	0	454.611	3.733	40	30		JHEBRO
C=C(C)CN1c2ccccc2[C@@]2([NH2+][C@@H](CC(C)C)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O	ZINC000100162593	569754292	/nfs/dbraw/zinc/75/42/92/569754292.db2.gz	OYWJODSMLODSRH-GLIKCIFVSA-N	1	0	457.574	3.624	40	30		JHEBRO
N#Cc1cccc(C[N@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccccc3CN3CCOCC3)c4=O)C2)c1	ZINC000020503640	526705764	/nfs/dbraw/zinc/70/57/64/526705764.db2.gz	XJNFNGOOCHCSJO-AZGAKELHSA-N	1	0	480.612	3.838	40	30	biogenic,in-vitro	JHEBRO
COC(=O)C[N+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2ccccc2Cl)OCO3)C1	ZINC000008817000	554699281	/nfs/dbraw/zinc/69/92/81/554699281.db2.gz	IEBZRJKCARFFRJ-CMDGGOBGSA-N	1	0	458.918	3.649	40	30		JHEBRO
C=CCNC(=O)CCc1c(C)nc2cc([C@@H]3CCC[N@H+](Cc4cccc(C)c4)C3)nn2c1OC	ZINC000257235203	570118721	/nfs/dbraw/zinc/11/87/21/570118721.db2.gz	GWWQFEPXCCZMOM-JOCHJYFZSA-N	1	0	461.610	3.969	40	30		JHEBRO
COc1cccc(N2CC[N@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@@H]43)C[C@@H]2C)c1	ZINC000061991198	569609605	/nfs/dbraw/zinc/60/96/05/569609605.db2.gz	BHDFYQPSESKSJM-JMRSBHDGSA-N	1	0	454.611	3.733	40	30		JHEBRO
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCN(C)C2	ZINC000408583712	570207351	/nfs/dbraw/zinc/20/73/51/570207351.db2.gz	WXRLHYOSPKJZCU-UHFFFAOYSA-N	1	0	452.609	3.541	40	30		JHEBRO
CC[NH+](CC)CCCNc1oc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)nc1C#N	ZINC000036627777	520624816	/nfs/dbraw/zinc/62/48/16/520624816.db2.gz	CQWRNKPVMHWXKF-UHFFFAOYSA-N	1	0	459.616	3.922	40	30		JHEBRO
COc1ccc2ncc(C#N)c(CCN3CCC([NH2+]Cc4cc5c(cn4)OCS5)CC3)c2c1	ZINC000058650072	563208568	/nfs/dbraw/zinc/20/85/68/563208568.db2.gz	NKXJSCXEAVZSMF-UHFFFAOYSA-N	1	0	461.591	3.749	40	30	in-vitro	JHEBRO
CC[NH+](CC)CCCNc1oc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)nc1C#N	ZINC000036627819	569778870	/nfs/dbraw/zinc/77/88/70/569778870.db2.gz	XSVNMMLZMHNLAU-UHFFFAOYSA-N	1	0	459.616	3.778	40	30		JHEBRO
O=C(CSc1nnc(NN=CC2=[NH+]Cc3ccccc32)[nH]1)Nc1cccc(Br)c1	ZINC000009695023	527085338	/nfs/dbraw/zinc/08/53/38/527085338.db2.gz	FQCZCROYHVNNQB-LSHDLFTRSA-N	1	0	470.356	3.699	40	30		JHEBRO
COc1cccc(N2CC[N@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)C[C@H]2C)c1	ZINC000061991199	569609629	/nfs/dbraw/zinc/60/96/29/569609629.db2.gz	WANPKANMTAFMSM-NYHHIPPXSA-N	1	0	454.611	3.731	40	30		JHEBRO
CCCC/[NH+]=C/[C@]12CC[C@H](O)C[C@]1(O)CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]([C@@H]3C=CC(=O)O3)CC[C@]12O	ZINC000257198710	570107339	/nfs/dbraw/zinc/10/73/39/570107339.db2.gz	GUUQBVHAKHDDDB-FGEQGNKYSA-N	1	0	459.627	3.569	40	30		JHEBRO
NC(=S)NN=C(CC[NH+]1CCCC1)C[C@H](c1ccccc1)C1C(=O)O[C@H]2CCCC=C2C1=O	ZINC000073334410	569704365	/nfs/dbraw/zinc/70/43/65/569704365.db2.gz	ZKWYVCDYODDQID-KDBDDGKTSA-N	1	0	468.623	3.683	40	30		JHEBRO
CN1CCc2c(C#N)c(NC(=O)CSc3nc4c(c(C(F)(F)F)n3)CCC4)sc2C1	ZINC000408583672	570207365	/nfs/dbraw/zinc/20/73/65/570207365.db2.gz	WGSHXHWAZMGKRT-UHFFFAOYSA-N	1	0	453.515	3.636	40	30		JHEBRO
[NH2+]=C(Nc1cccc2ccccc21)Nc1nc(CSc2nnnn2-c2ccccc2)cc(=O)[nH]1	ZINC000020477897	526812593	/nfs/dbraw/zinc/81/25/93/526812593.db2.gz	QYVCKOATBRJNMI-UHFFFAOYSA-N	1	0	469.534	3.662	40	30		JHEBRO
O=C(C[n+]1cccc(NC(=O)c2ccccc2)c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1	ZINC000012375927	527196273	/nfs/dbraw/zinc/19/62/73/527196273.db2.gz	ZTCBAAQUOYXUQV-UHFFFAOYSA-O	1	0	462.485	3.910	40	30		JHEBRO
C[NH+](C)CCNc1nc(Nc2cccc(F)c2C#N)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329057772	570183294	/nfs/dbraw/zinc/18/32/94/570183294.db2.gz	VYSRSVJRFPGTCY-UHFFFAOYSA-N	1	0	460.435	3.614	40	30		JHEBRO
C=C(C)CN1c2ccccc2[C@]2([NH2+][C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000100162616	569754332	/nfs/dbraw/zinc/75/43/32/569754332.db2.gz	LWGMZSXGBRSPCX-AUHTVUCRSA-N	1	0	477.564	3.825	40	30		JHEBRO
CCCCCCCCCCCCCCCCCC[N+](C)(C)C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000101011824	569779132	/nfs/dbraw/zinc/77/91/32/569779132.db2.gz	JSMLJHVNWQPILB-VEYUFSJPSA-N	1	0	462.736	3.760	40	30		JHEBRO
C=C(C)CN1c2ccccc2[C@@]2([NH2+][C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O	ZINC000012363830	518607696	/nfs/dbraw/zinc/60/76/96/518607696.db2.gz	LWGMZSXGBRSPCX-YXMNTCDSSA-N	1	0	477.564	3.825	40	30		JHEBRO
CCCCCCCCCCCCCCCCCC[N+](C)(C)C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	ZINC000101011819	569779090	/nfs/dbraw/zinc/77/90/90/569779090.db2.gz	JSMLJHVNWQPILB-FXSWLTOZSA-N	1	0	462.736	3.760	40	30		JHEBRO
C/C(=N/NC(N)=[NH2+])[C@@H](C[NH+]1CCCCC1)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O	ZINC000104295649	569844896	/nfs/dbraw/zinc/84/48/96/569844896.db2.gz	AQPJMCDVXOBJBK-UKMXSTEUSA-N	1	0	461.566	3.592	40	30		JHEBRO
O=C1C[C@H]2OCC=C3C[N@@H+]4CC[C@@]56c7cc(/N=C/c8cccc([N+](=O)[O-])c8)ccc7N1[C@@H]5[C@@H]2[C@@H]3C[C@@H]46	ZINC000072986148	569704237	/nfs/dbraw/zinc/70/42/37/569704237.db2.gz	LNZBLWBXBJLXEL-HRFUZRPUSA-N	1	0	482.540	3.751	40	30		JHEBRO
NC(=S)NN=C(CC[NH+]1CCCC1)C[C@@H](c1ccccc1)C1C(=O)O[C@H]2CCCC=C2C1=O	ZINC000073334416	569704372	/nfs/dbraw/zinc/70/43/72/569704372.db2.gz	ZKWYVCDYODDQID-RRBIVZJWSA-N	1	0	468.623	3.683	40	30		JHEBRO
C=C(C)CN1c2ccccc2[C@]2([NH2+][C@@H](Cc3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000100162601	569754279	/nfs/dbraw/zinc/75/42/79/569754279.db2.gz	GTZCSJJQGXSSJR-FWTOBACQSA-N	1	0	491.591	3.821	40	30		JHEBRO
CC[NH+](CC)CCCNc1oc(-c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)nc1C#N	ZINC000036627926	569778922	/nfs/dbraw/zinc/77/89/22/569778922.db2.gz	FGKQHORFGGUGBC-SFHVURJKSA-N	1	0	459.616	3.778	40	30		JHEBRO
NC(=S)NN=C(CC[NH+]1CCCC1)C[C@@H](c1ccccc1)C1C(=O)O[C@H]2CCCC=C2C1=O	ZINC000104296035	569844909	/nfs/dbraw/zinc/84/49/09/569844909.db2.gz	ZKWYVCDYODDQID-NULVTVOTSA-N	1	0	468.623	3.683	40	30		JHEBRO
N#Cc1cccc([C@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C3CCCCC3)CC2)c1	ZINC000022574831	526732360	/nfs/dbraw/zinc/73/23/60/526732360.db2.gz	VUENPGQZQSDEJN-AREMUKBSSA-N	1	0	455.610	3.827	40	30		JHEBRO
CC[NH+](CC)CCCNc1oc(-c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)nc1C#N	ZINC000036627929	569778948	/nfs/dbraw/zinc/77/89/48/569778948.db2.gz	FGKQHORFGGUGBC-GOSISDBHSA-N	1	0	459.616	3.778	40	30		JHEBRO
O=C1C[C@@H]2OCC=C3C[N@@H+]4CC[C@@]56c7cc(/N=C/c8ccc([N+](=O)[O-])cc8)ccc7N1[C@@H]5[C@@H]2[C@@H]3C[C@@H]46	ZINC000226047122	570034169	/nfs/dbraw/zinc/03/41/69/570034169.db2.gz	CXHIOPALQZANEL-FRHKOCSFSA-N	1	0	482.540	3.751	40	30		JHEBRO
CCOC(=O)C1=C(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)S[C@@H]2CCCC[C@H]12	ZINC000027299951	520532474	/nfs/dbraw/zinc/53/24/74/520532474.db2.gz	TUEHJUUICMTBPH-PZJWPPBQSA-O	1	0	466.627	3.894	40	30		JHEBRO
C=CCc1c2c3ccnc4c3n(c2ccc1OCC(=O)NCCC[NH+](C)C)c(=O)c1ccccc14	ZINC000008792476	554685988	/nfs/dbraw/zinc/68/59/88/554685988.db2.gz	GBFHCBZIMAILKT-UHFFFAOYSA-N	1	0	468.557	3.767	40	30	biogenic	JHEBRO
COC(=O)C[N+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/C(C)=C/c2ccccc2)OCO3)C1	ZINC000008919221	554815922	/nfs/dbraw/zinc/81/59/22/554815922.db2.gz	HHCDCDHNSZJBEJ-NJESZQPCSA-N	1	0	464.538	3.942	40	30		JHEBRO
C=CCNC(=O)CCc1c(C)nc2cc([C@H]3CCC[N@H+](Cc4cccc(C)c4)C3)nn2c1OC	ZINC000257235204	570118700	/nfs/dbraw/zinc/11/87/00/570118700.db2.gz	GWWQFEPXCCZMOM-QFIPXVFZSA-N	1	0	461.610	3.969	40	30		JHEBRO
C[C@]12CCC[C@@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCN(C/C=C/c2ccccc2)CC1	ZINC000020612088	195186055	/nfs/dbraw/zinc/18/60/55/195186055.db2.gz	ROHRUTAYOFATLK-UTSYRWLKSA-N	1	0	450.623	3.844	40	30		JHEBRO
C=CCOc1c(Br)cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1OC	ZINC000022108121	519002228	/nfs/dbraw/zinc/00/22/28/519002228.db2.gz	PRJHSHYKAYLUTQ-UHFFFAOYSA-N	1	0	476.400	3.880	40	30		JHEBRO
COc1ccc(/C=N/c2ccc3c(c2)[C@]24CC[N@H+]5CC6=CCO[C@@H]7CC(=O)N3[C@@H]2[C@@H]7[C@@H]6C[C@@H]54)cc1	ZINC000226047082	570034124	/nfs/dbraw/zinc/03/41/24/570034124.db2.gz	QELIINZXEUUVJI-PCRNAODLSA-N	1	0	467.569	3.852	40	30		JHEBRO
O=C1C[C@@H]2OCC=C3C[N@@H+]4CC[C@@]56c7cc(/N=C/c8cccc([N+](=O)[O-])c8)ccc7N1[C@@H]5[C@@H]2[C@@H]3C[C@@H]46	ZINC000226046985	570034144	/nfs/dbraw/zinc/03/41/44/570034144.db2.gz	LNZBLWBXBJLXEL-FRHKOCSFSA-N	1	0	482.540	3.751	40	30		JHEBRO
CCOC(=O)C1=C(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)S[C@@H]2CCCC[C@@H]12	ZINC000027299961	520532176	/nfs/dbraw/zinc/53/21/76/520532176.db2.gz	TUEHJUUICMTBPH-TZIWHRDSSA-O	1	0	466.627	3.894	40	30		JHEBRO
C=CCOc1ccc(/C=C/C(=O)c2c3c(c(OC)c4c2CC[N+](C)(CC(=O)OC)C4)OCO3)cc1	ZINC000009333721	519013027	/nfs/dbraw/zinc/01/30/27/519013027.db2.gz	BXYUDFXLIGOMNF-DHZHZOJOSA-N	1	0	480.537	3.561	40	30		JHEBRO
C[NH+](C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc(C#N)cc2)C1	ZINC000004237218	521930742	/nfs/dbraw/zinc/93/07/42/521930742.db2.gz	VIQOPYMXHDRRHT-NZQKXSOJSA-N	1	0	452.558	3.708	40	30	biogenic,in-vitro	JHEBRO
C=C(C)CN1c2ccccc2[C@@]2([NH2+][C@@H](Cc3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000100162597	569754297	/nfs/dbraw/zinc/75/42/97/569754297.db2.gz	GTZCSJJQGXSSJR-MYRJMEBBSA-N	1	0	491.591	3.821	40	30		JHEBRO
C[NH+](C)CCCNc1nc(Nc2ccccc2C#N)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329034877	570182536	/nfs/dbraw/zinc/18/25/36/570182536.db2.gz	RBWGMGYQSLRTKI-UHFFFAOYSA-N	1	0	456.472	3.865	40	30		JHEBRO
C=C(C)CN1c2ccccc2[C@]2([NH2+][C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O	ZINC000012363833	518606676	/nfs/dbraw/zinc/60/66/76/518606676.db2.gz	LWGMZSXGBRSPCX-LFNVBFKESA-N	1	0	477.564	3.825	40	30		JHEBRO
Cc1ccc(N=C2NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CC[NH+](C)CC3)S2)c(C)c1	ZINC000409008558	570098721	/nfs/dbraw/zinc/09/87/21/570098721.db2.gz	XVXJWAVDVHIZFM-STZFKDTASA-N	1	0	451.552	3.855	40	30		JHEBRO
N#Cc1cccc(C[NH+]2CCC3(CC2)Nc2cccnc2-n2c(C(=O)NC4CCC4)ccc23)c1	ZINC000306141201	570178672	/nfs/dbraw/zinc/17/86/72/570178672.db2.gz	VOEWCWYSKIZQSC-UHFFFAOYSA-N	1	0	452.562	3.943	40	30		JHEBRO