smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1c(CSCc2ccccc2)oc2ccc(O)c(C[NH+](C)C)c21	ZINC000001256107	209317070	/nfs/dbraw/zinc/31/70/70/209317070.db2.gz	CLZSZXFWIQZEED-UHFFFAOYSA-N	1	0	399.512	4.810	50	10		GJCARO
COC(=O)c1cc2ccccc2c(C[N@H+](C)Cc2nc3ccccc3s2)c1O	ZINC000012787594	570712872	/nfs/dbraw/zinc/71/28/72/570712872.db2.gz	DYGOPIKAIYESMM-UHFFFAOYSA-N	1	0	392.480	4.574	50	10		GJCARO
CCOC(=O)C1CC[NH+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1	ZINC000004988323	204099817	/nfs/dbraw/zinc/09/98/17/204099817.db2.gz	OVOXBRRVJMNAKV-UHFFFAOYSA-N	1	0	375.553	4.762	50	10		GJCARO
CN(C)c1ccc(/C=C/C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	ZINC000004981094	204100217	/nfs/dbraw/zinc/10/02/17/204100217.db2.gz	LUUNXYPBZBXBKT-SNAWJCMRSA-N	1	0	389.465	4.607	50	10		GJCARO
Oc1ccc2cc(Br)ccc2c1C[N@H+](Cc1ccncc1)C1CC1	ZINC000007317793	204238762	/nfs/dbraw/zinc/23/87/62/204238762.db2.gz	PXLBUHQIVNYFCQ-UHFFFAOYSA-N	1	0	383.289	4.868	50	10		GJCARO
Oc1ccccc1CN(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1	ZINC000012308900	204396208	/nfs/dbraw/zinc/39/62/08/204396208.db2.gz	QGKBCLGNKHSZCD-QFIPXVFZSA-N	1	0	393.575	4.834	50	10		GJCARO
O=C(c1ccccc1)N(c1ccccc1)C1CC[NH+](Cc2ccccc2O)CC1	ZINC000034683494	570301066	/nfs/dbraw/zinc/30/10/66/570301066.db2.gz	DNKPAKPQIXWJPH-UHFFFAOYSA-N	1	0	386.495	4.704	50	10		GJCARO
CC(=O)c1cc(F)cc(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)c1O	ZINC000072312084	570306371	/nfs/dbraw/zinc/30/63/71/570306371.db2.gz	RRAKYNJKVZUVID-UHFFFAOYSA-N	1	0	396.437	4.513	50	10		GJCARO
CC[C@H]1CCCC[N@@H+]1Cc1c2c(ccc1O)oc(C)c2C(=O)NC1CCCC1	ZINC000005182642	570496355	/nfs/dbraw/zinc/49/63/55/570496355.db2.gz	LUOAUFONAUWTNQ-KRWDZBQOSA-N	1	0	384.520	4.884	50	10		GJCARO
COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)c(C[NH+]4CCCCC4)c32)cc1	ZINC000001234002	570928568	/nfs/dbraw/zinc/92/85/68/570928568.db2.gz	VKQDQUKUVXGKRA-UHFFFAOYSA-N	1	0	395.459	4.547	50	10		GJCARO
CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccccc2O)(c2ccccc2OC)CCO1	ZINC000004029025	204023890	/nfs/dbraw/zinc/02/38/90/204023890.db2.gz	ZURXJQRDJNACHN-BJKOFHAPSA-N	1	0	383.532	4.798	50	10	biogenic	GJCARO
Oc1c([C@@H](c2ccccc2Br)[NH+]2CCCC2)ccc2cccnc21	ZINC000004190071	204031885	/nfs/dbraw/zinc/03/18/85/204031885.db2.gz	SIGYUTQWOLIIOK-LJQANCHMSA-N	1	0	383.289	4.888	50	10		GJCARO
CC(C)CC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2O)CC1	ZINC000034683545	210660800	/nfs/dbraw/zinc/66/08/00/210660800.db2.gz	GAYIOWSNADQEJL-UHFFFAOYSA-N	1	0	384.495	4.575	50	10		GJCARO
c1c2ccccc2[nH]c1-c1ccc(N2CCC([NH2+][C@@H]3CCCOC3)CC2)cc1	ZINC000023478120	570363120	/nfs/dbraw/zinc/36/31/20/570363120.db2.gz	JLROYHXRICPIAA-OAQYLSRUSA-N	1	0	375.516	4.572	50	10		GJCARO
O=[P@](c1ccccc1)([C@H](c1ccccc1O)[NH+]1CCCCC1)N1CCCCC1	ZINC000006340950	570477290	/nfs/dbraw/zinc/47/72/90/570477290.db2.gz	VXUMUJVFHPVKKH-QDPGVEIFSA-N	1	0	398.487	4.966	50	10		GJCARO
COc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(Cl)cc2)c1O	ZINC000036347462	205013359	/nfs/dbraw/zinc/01/33/59/205013359.db2.gz	ILOPGUHHROFSNW-NRFANRHFSA-N	1	0	382.891	4.851	50	10		GJCARO
CCSc1ccc2c(c1)[C@@H](N1CC[NH+](C)CC1)Cc1ccc(F)cc1S2	ZINC000019802286	210298809	/nfs/dbraw/zinc/29/88/09/210298809.db2.gz	SPTSTXDKTQWLNQ-IBGZPJMESA-N	1	0	388.577	4.934	50	10		GJCARO
COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c(O)c1	ZINC000014990564	570870256	/nfs/dbraw/zinc/87/02/56/570870256.db2.gz	XIKTXPCDWBVERL-QGZVFWFLSA-N	1	0	397.906	4.824	50	10		GJCARO
CCSc1ccc2c(c1)[C@H](N1CC[NH+](C)CC1)Cc1ccc(F)cc1S2	ZINC000019802284	210297126	/nfs/dbraw/zinc/29/71/26/210297126.db2.gz	SPTSTXDKTQWLNQ-LJQANCHMSA-N	1	0	388.577	4.934	50	10		GJCARO
Oc1ccc2ccccc2c1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000019790497	570219057	/nfs/dbraw/zinc/21/90/57/570219057.db2.gz	AJVROWDAWQIMEN-UHFFFAOYSA-N	1	0	386.417	4.886	50	10		GJCARO
CN(C)c1ccc(CN(C(=O)c2ccccc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1	ZINC000004571351	570385224	/nfs/dbraw/zinc/38/52/24/570385224.db2.gz	SVCOIBVTVUGEOT-UHFFFAOYSA-N	1	0	393.575	4.704	50	10		GJCARO
CC(C)(C)OC(=O)NC1CC[NH+]([C@@H](c2cccs2)c2ccccc2O)CC1	ZINC000025760638	570419210	/nfs/dbraw/zinc/41/92/10/570419210.db2.gz	UUMHTMZBVBXNOV-LJQANCHMSA-N	1	0	388.533	4.532	50	10		GJCARO
Cc1cc(C=C2Sc3ccc4ccccc4c3N2C)cc(C)[n+]1CCCO	ZINC000005500601	570618828	/nfs/dbraw/zinc/61/88/28/570618828.db2.gz	KSIRUEXNUZPOID-UHFFFAOYSA-N	1	0	377.533	4.768	50	10		GJCARO
Oc1ccccc1CN(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1	ZINC000012308901	570640175	/nfs/dbraw/zinc/64/01/75/570640175.db2.gz	QGKBCLGNKHSZCD-JOCHJYFZSA-N	1	0	393.575	4.834	50	10		GJCARO
Cc1oc2ccc(O)c(C[N@H+](C)Cc3ccccc3)c2c1C(=O)NC1CCCC1	ZINC000005182740	204117815	/nfs/dbraw/zinc/11/78/15/204117815.db2.gz	QYVZXFXMWPKDRB-UHFFFAOYSA-N	1	0	392.499	4.751	50	10		GJCARO
Cc1c(C)c(=O)oc2c1ccc(O)c2CNc1ccc(C[NH+]2CCCCC2)cc1	ZINC000006672049	204191293	/nfs/dbraw/zinc/19/12/93/204191293.db2.gz	HJVKCYZAMZQHJR-UHFFFAOYSA-N	1	0	392.499	4.713	50	10		GJCARO
COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4O)C3)ccc2c1	ZINC000011934256	204362364	/nfs/dbraw/zinc/36/23/64/204362364.db2.gz	XYFUMCMZKMWQMK-OAQYLSRUSA-N	1	0	375.468	4.649	50	10		GJCARO
Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1	ZINC000020781399	210360759	/nfs/dbraw/zinc/36/07/59/210360759.db2.gz	IOHOEJRYVDNTPY-OAHLLOKOSA-N	1	0	385.870	4.954	50	10		GJCARO
Oc1ccc(-c2ncccn2)cc1C[NH2+][C@@H](Cc1ccccc1)c1ccccc1	ZINC000019838937	570223965	/nfs/dbraw/zinc/22/39/65/570223965.db2.gz	NTXKWEDUOAUOQO-QHCPKHFHSA-N	1	0	381.479	4.923	50	10		GJCARO
Cc1oc2ccc(O)c(C[N@H+]3CCCC[C@H]3C)c2c1C(=O)NCc1ccccc1	ZINC000005182551	570495804	/nfs/dbraw/zinc/49/58/04/570495804.db2.gz	RCFXSVNPVUOLKO-MRXNPFEDSA-N	1	0	392.499	4.751	50	10		GJCARO
CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccccc2O)(c2ccc(OC)cc2)CCO1	ZINC000004029061	570539476	/nfs/dbraw/zinc/53/94/76/570539476.db2.gz	JIQAHUHUQCSDSD-RPWUZVMVSA-N	1	0	383.532	4.798	50	10	biogenic	GJCARO
COc1cccc(CNc2[nH+]cc(-c3ccc(Cl)c(Cl)c3)n2C)c1O	ZINC000004678298	204063714	/nfs/dbraw/zinc/06/37/14/204063714.db2.gz	XQTKCNRJMRNXJB-UHFFFAOYSA-N	1	0	378.259	4.720	50	10		GJCARO
Cc1ccc([C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C2CCCC2)o1	ZINC000095462788	136179424	/nfs/dbraw/zinc/17/94/24/136179424.db2.gz	RQKVUUKSGDNFPD-HSZRJFAPSA-N	1	0	386.511	4.709	50	10		GJCARO
COc1ccc(C[N@H+]2Cc3ccccc3O[C@@H](c3ccccc3OC)C2)c(O)c1	ZINC000020821499	570281892	/nfs/dbraw/zinc/28/18/92/570281892.db2.gz	SXJNBAVEEVXBAM-XMMPIXPASA-N	1	0	391.467	4.545	50	10		GJCARO
COc1ccccc1[C@H]1C[N@@H+](Cc2c(O)cccc2OC)Cc2ccccc2O1	ZINC000020910735	570283988	/nfs/dbraw/zinc/28/39/88/570283988.db2.gz	DLAVEMMBYVWVFT-XMMPIXPASA-N	1	0	391.467	4.545	50	10		GJCARO
Oc1cc2c(cc1C[NH+]1CCN(C(c3ccccc3)c3ccccc3)CC1)CCC2	ZINC000022029517	570302533	/nfs/dbraw/zinc/30/25/33/570302533.db2.gz	UFBRPUJORIQCMY-UHFFFAOYSA-N	1	0	398.550	4.788	50	10		GJCARO
CC[C@@]1(O)[C@H](C)[C@H](c2ccc(N(C)C)cc2)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]1C	ZINC000239331262	570429394	/nfs/dbraw/zinc/42/93/94/570429394.db2.gz	KJQBZHDKPAMYIE-DGEYCZFQSA-N	1	0	395.591	4.618	50	10		GJCARO
COc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C)c(C)c2)c1O	ZINC000037522490	571024058	/nfs/dbraw/zinc/02/40/58/571024058.db2.gz	VUFRSDIHVOLQRL-QHCPKHFHSA-N	1	0	376.500	4.814	50	10		GJCARO
Cc1ccc(C)c(C2=NC3(CC[NH+](C)CC3)N[C@@H](c3cc(Cl)ccc3O)C2)c1	ZINC000065298057	205227294	/nfs/dbraw/zinc/22/72/94/205227294.db2.gz	NQDXKJFVIHGTAV-OAQYLSRUSA-N	1	0	397.950	4.608	50	10	biogenic	GJCARO
CC[n+]1c(/C=C2\Sc3cc(NC(C)=O)ccc3N2C)ccc2ccccc21	ZINC000020807070	210362947	/nfs/dbraw/zinc/36/29/47/210362947.db2.gz	GZYOWTWOWNNXLK-UHFFFAOYSA-O	1	0	376.505	4.646	50	10		GJCARO
Oc1c([C@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)ccc2cccnc21	ZINC000019898708	570228395	/nfs/dbraw/zinc/22/83/95/570228395.db2.gz	ZPQFOQOPYUYODL-VWLOTQADSA-N	1	0	395.506	4.852	50	10		GJCARO
CCc1ccc(N(C(=O)C(C)C)C2CC[NH+](Cc3ccccc3O)CC2)cc1	ZINC000034683394	570300966	/nfs/dbraw/zinc/30/09/66/570300966.db2.gz	RJTNYBNVRHSGAI-UHFFFAOYSA-N	1	0	380.532	4.608	50	10		GJCARO
CC[C@@]1(O)[C@H](C)[C@H](c2ccc(N(C)C)cc2)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]1C	ZINC000239331265	570429264	/nfs/dbraw/zinc/42/92/64/570429264.db2.gz	KJQBZHDKPAMYIE-YPHZUOLQSA-N	1	0	395.591	4.618	50	10		GJCARO
CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccccc2O)(c2ccc(OC)cc2)CCO1	ZINC000004029062	570539501	/nfs/dbraw/zinc/53/95/01/570539501.db2.gz	JIQAHUHUQCSDSD-ZEQRLZLVSA-N	1	0	383.532	4.798	50	10	biogenic	GJCARO
CC[C@]1(C)C[C@](CC[NH2+]Cc2ccccc2O)(c2ccc(OC)cc2)CCO1	ZINC000004029063	570539695	/nfs/dbraw/zinc/53/96/95/570539695.db2.gz	JIQAHUHUQCSDSD-DNQXCXABSA-N	1	0	383.532	4.798	50	10	biogenic	GJCARO
Cc1cc(C=C2Sc3ccccc3N2C)cc(C)[n+]1CCCn1ccnc1	ZINC000012523747	570829896	/nfs/dbraw/zinc/82/98/96/570829896.db2.gz	BEUVZSCBADFZKI-UHFFFAOYSA-N	1	0	377.537	4.519	50	10		GJCARO
CC[C@@]1(O)[C@H](C)[C@H](c2ccc(N(C)C)cc2)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@@H]1C	ZINC000239331264	523745308	/nfs/dbraw/zinc/74/53/08/523745308.db2.gz	KJQBZHDKPAMYIE-MRMVSFONSA-N	1	0	395.591	4.618	50	10		GJCARO
Oc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@@H+]1CCCC[C@@H]1c1cccnc1	ZINC000023580634	570366077	/nfs/dbraw/zinc/36/60/77/570366077.db2.gz	FPDVLECASGUFRB-OAQYLSRUSA-N	1	0	388.467	4.910	50	10		GJCARO
COc1cc2c(cc1Cl)C(N1CC[NH+](C)CC1)=Cc1ccc(C)cc1S2	ZINC000005602517	570667675	/nfs/dbraw/zinc/66/76/75/570667675.db2.gz	RXNSZRGWAHPRDI-UHFFFAOYSA-N	1	0	386.948	4.867	50	10		GJCARO
COc1cccc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c1O	ZINC000015065688	570875714	/nfs/dbraw/zinc/87/57/14/570875714.db2.gz	BYHJFTJFZQPUAY-IBGZPJMESA-N	1	0	395.478	4.529	50	10		GJCARO
CCN(CC)P(=N[N+]#N)(NS(=O)(=O)c1ccc(C)cc1)N(CC)CC	ZINC000004557261	570957766	/nfs/dbraw/zinc/95/77/66/570957766.db2.gz	DOXJWHCAOCLCRP-UHFFFAOYSA-N	1	0	386.462	4.624	50	10		GJCARO
CC[NH+](CC)Cc1cc(Nc2c3c(C)nn(C)c3nc3ccccc32)ccc1O	ZINC000004517925	570380884	/nfs/dbraw/zinc/38/08/84/570380884.db2.gz	SJZLHMXSCJOUNV-UHFFFAOYSA-N	1	0	389.503	4.721	50	10		GJCARO
COCCn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1cc(Cl)ccc1O	ZINC000004678756	204063000	/nfs/dbraw/zinc/06/30/00/204063000.db2.gz	BXEXSJJBTJRMLZ-UHFFFAOYSA-N	1	0	392.286	4.821	50	10		GJCARO
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[NH+]2CCCC2)c2ccccc12	ZINC000101017997	211394169	/nfs/dbraw/zinc/39/41/69/211394169.db2.gz	MFPMEKVUMGEIMP-PXLXIMEGSA-N	1	0	384.483	4.501	50	10		GJCARO
CN(C)c1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)cc1	ZINC000040086357	210770627	/nfs/dbraw/zinc/77/06/27/210770627.db2.gz	IRGILQJIALICGC-UHFFFAOYSA-N	1	0	381.907	4.670	50	10		GJCARO
Cc1oc2ccc(O)c(C[N@H+]3CCCC[C@@H]3C)c2c1C(=O)NCc1ccccc1	ZINC000005182550	570495998	/nfs/dbraw/zinc/49/59/98/570495998.db2.gz	RCFXSVNPVUOLKO-INIZCTEOSA-N	1	0	392.499	4.751	50	10		GJCARO
Cc1oc2ccc(O)c(C[N@H+]3CCC[C@@H](C)C3)c2c1C(=O)NCc1ccccc1	ZINC000005182608	570496310	/nfs/dbraw/zinc/49/63/10/570496310.db2.gz	ZCZRACPSXMOSGE-MRXNPFEDSA-N	1	0	392.499	4.609	50	10		GJCARO
CCOc1ccc(-n2c(C)cc(C[NH2+]CCc3ccc(OC)cc3)c2C)cc1	ZINC000006784978	570591998	/nfs/dbraw/zinc/59/19/98/570591998.db2.gz	RQYQFRVLSDNION-UHFFFAOYSA-N	1	0	378.516	4.834	50	10		GJCARO
Cc1cc(C)cc(NC(=O)[C@H]2CC23CC[NH+](Cc2cc(Cl)ccc2O)CC3)c1	ZINC000011968859	570596213	/nfs/dbraw/zinc/59/62/13/570596213.db2.gz	XRRDRQDEKCFARW-HXUWFJFHSA-N	1	0	398.934	4.903	50	10		GJCARO
Cc1oc2ccc(O)c(C[N@H+]3CCCC[C@@H]3C)c2c1C(=O)NC1CCCCC1	ZINC000006811153	570616119	/nfs/dbraw/zinc/61/61/19/570616119.db2.gz	HEGOQCHHMDGGSG-HNNXBMFYSA-N	1	0	384.520	4.884	50	10		GJCARO
COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)c1	ZINC000014960965	570866681	/nfs/dbraw/zinc/86/66/81/570866681.db2.gz	AQHODXBYWAIHNS-GOSISDBHSA-N	1	0	375.468	4.649	50	10		GJCARO
COc1cccc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c1O	ZINC000015065687	570875843	/nfs/dbraw/zinc/87/58/43/570875843.db2.gz	BYHJFTJFZQPUAY-LJQANCHMSA-N	1	0	395.478	4.529	50	10		GJCARO
CC[n+]1c(/C=C/C=C/N(C(C)=O)c2ccccc2)sc2cc(OC)ccc21	ZINC000001827106	209340269	/nfs/dbraw/zinc/34/02/69/209340269.db2.gz	GRDSXUGBDULMBW-UHFFFAOYSA-N	1	0	379.505	4.797	50	10		GJCARO
CC[NH+](CC)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21	ZINC000020192885	570246710	/nfs/dbraw/zinc/24/67/10/570246710.db2.gz	FCUUYGVRSFHRPA-PXLXIMEGSA-N	1	0	386.499	4.747	50	10		GJCARO
CC[C@@H]1CCCC[N@@H+]1Cc1c2c(ccc1O)oc(C)c2C(=O)NC1CCCC1	ZINC000005182639	570496516	/nfs/dbraw/zinc/49/65/16/570496516.db2.gz	LUOAUFONAUWTNQ-QGZVFWFLSA-N	1	0	384.520	4.884	50	10		GJCARO
C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)Cc1ccc(N(C)C)cc1	ZINC000007361355	570833916	/nfs/dbraw/zinc/83/39/16/570833916.db2.gz	LNKBMPPUQPTNDX-LJQANCHMSA-N	1	0	387.527	4.879	50	10		GJCARO
CCN(CC)c1ccc(CNc2nc3ccccc3n2CC[NH+](CC)CC)cc1	ZINC000013757695	210087788	/nfs/dbraw/zinc/08/77/88/210087788.db2.gz	VOCNMIJDJPPBIF-UHFFFAOYSA-N	1	0	393.579	4.836	50	10		GJCARO
CCOC(=O)c1c(CSc2ccccc2)oc2ccc(O)c(C[NH+](C)C)c21	ZINC000000634225	209252624	/nfs/dbraw/zinc/25/26/24/209252624.db2.gz	FWOMJMKPXGUDOG-UHFFFAOYSA-N	1	0	385.485	4.669	50	10		GJCARO
CCN(CC)c1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	ZINC000055292241	570690897	/nfs/dbraw/zinc/69/08/97/570690897.db2.gz	FVYIKQXARQMQHC-UHFFFAOYSA-N	1	0	391.481	4.874	50	10		GJCARO
Cn1c(-c2cccc(Br)c2)c[nH+]c1NCc1cc(Cl)ccc1O	ZINC000004678210	570823807	/nfs/dbraw/zinc/82/38/07/570823807.db2.gz	NNQHBIMBBILUMZ-UHFFFAOYSA-N	1	0	392.684	4.821	50	10		GJCARO
Oc1c([C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)ccc2cccnc21	ZINC000004863903	204083409	/nfs/dbraw/zinc/08/34/09/204083409.db2.gz	ZPQFOQOPYUYODL-RUZDIDTESA-N	1	0	395.506	4.852	50	10		GJCARO
Oc1ccc(-c2ncccn2)cc1C[NH2+][C@H](Cc1ccccc1)c1ccccc1	ZINC000019838939	570224265	/nfs/dbraw/zinc/22/42/65/570224265.db2.gz	NTXKWEDUOAUOQO-HSZRJFAPSA-N	1	0	381.479	4.923	50	10		GJCARO
Cc1oc2ccc(O)c(C[NH+]3CCCCC3)c2c1C(=O)Nc1ccccc1C	ZINC000005182505	570430898	/nfs/dbraw/zinc/43/08/98/570430898.db2.gz	GGXTXJAHVGHBHF-UHFFFAOYSA-N	1	0	378.472	4.993	50	10		GJCARO
Cc1oc2ccc(O)c(C[N@H+]3CCC[C@@H](C)C3)c2c1C(=O)Nc1ccccc1	ZINC000005182582	570495863	/nfs/dbraw/zinc/49/58/63/570495863.db2.gz	MBMRXFVFSYRHJW-OAHLLOKOSA-N	1	0	378.472	4.931	50	10		GJCARO
COc1ccc2c(c1)S/C(=C/C=C/c1sc3cc(OC)ccc3[n+]1C)N2C	ZINC000685944443	570675449	/nfs/dbraw/zinc/67/54/49/570675449.db2.gz	MKUKNXZQXPRPCU-UHFFFAOYSA-N	1	0	397.545	4.840	50	10		GJCARO
COc1ccc(C(=O)C2CC[NH+](Cc3cc(C(C)C)c(C)cc3O)CC2)cc1	ZINC000014312168	570904687	/nfs/dbraw/zinc/90/46/87/570904687.db2.gz	KTDDBOGARDYQKW-UHFFFAOYSA-N	1	0	381.516	4.928	50	10		GJCARO
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2ccccc21	ZINC000003812923	204019777	/nfs/dbraw/zinc/01/97/77/204019777.db2.gz	XCPGHVQEEXUHNC-UHFFFAOYSA-N	1	0	393.468	4.512	50	10	world	GJCARO
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1	ZINC000005688711	204146242	/nfs/dbraw/zinc/14/62/42/204146242.db2.gz	KXOQURSYRIUBLU-QFIPXVFZSA-N	1	0	391.515	4.644	50	10		GJCARO
COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4O)C3)ccc2c1	ZINC000011934257	221137444	/nfs/dbraw/zinc/13/74/44/221137444.db2.gz	XYFUMCMZKMWQMK-NRFANRHFSA-N	1	0	375.468	4.649	50	10		GJCARO
CN(C)c1ccc(C[NH2+]CC[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1	ZINC000002289908	570281337	/nfs/dbraw/zinc/28/13/37/570281337.db2.gz	UVNVEQCDFHIDNB-QHCPKHFHSA-N	1	0	388.511	4.793	50	10		GJCARO
Oc1c([C@H](c2ccc(Br)cc2)[NH+]2CCCC2)ccc2cccnc21	ZINC000004871544	570352193	/nfs/dbraw/zinc/35/21/93/570352193.db2.gz	VMPFQVVBVXXCJQ-IBGZPJMESA-N	1	0	383.289	4.888	50	10		GJCARO
Cc1oc2ccc(O)c(C[N@H+]3CCC[C@H](C)C3)c2c1C(=O)NCc1ccccc1	ZINC000005182605	570496443	/nfs/dbraw/zinc/49/64/43/570496443.db2.gz	ZCZRACPSXMOSGE-INIZCTEOSA-N	1	0	392.499	4.609	50	10		GJCARO
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(C[NH+]4CCCCC4)c32)cc1	ZINC000005182497	570496472	/nfs/dbraw/zinc/49/64/72/570496472.db2.gz	WRVLPPZDEYVJBJ-UHFFFAOYSA-N	1	0	394.471	4.694	50	10		GJCARO
CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(C[NH+]3CCCCC3)c21	ZINC000000941146	570731808	/nfs/dbraw/zinc/73/18/08/570731808.db2.gz	XNBPZFDWJSQTIE-UHFFFAOYSA-N	1	0	379.456	4.968	50	10		GJCARO
COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c(O)c1	ZINC000014990566	570870162	/nfs/dbraw/zinc/87/01/62/570870162.db2.gz	XIKTXPCDWBVERL-KRWDZBQOSA-N	1	0	397.906	4.824	50	10		GJCARO
COc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)c3cccc4ccccc43)C2)c1	ZINC000014960970	210133084	/nfs/dbraw/zinc/13/30/84/210133084.db2.gz	AQHODXBYWAIHNS-SFHVURJKSA-N	1	0	375.468	4.649	50	10		GJCARO
CC[C@]1(C)C[C@](CC[NH2+]Cc2ccccc2O)(c2ccccc2OC)CCO1	ZINC000004029024	209460436	/nfs/dbraw/zinc/46/04/36/209460436.db2.gz	ZURXJQRDJNACHN-DNQXCXABSA-N	1	0	383.532	4.798	50	10	biogenic	GJCARO
COc1ccccc1[C@]1(CC[NH2+]Cc2ccc(N(C)C)cc2)CCOC(C)(C)C1	ZINC000003999245	204022981	/nfs/dbraw/zinc/02/29/81/204022981.db2.gz	OAVTYOIOESAJKW-RUZDIDTESA-N	1	0	396.575	4.768	50	10	biogenic	GJCARO
CCOCc1cc(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)ccc1OC	ZINC000012200084	204382557	/nfs/dbraw/zinc/38/25/57/204382557.db2.gz	QXHBIHGWOOUROD-INIZCTEOSA-N	1	0	397.494	4.716	50	10		GJCARO
CCOc1ccc(NC=c2sc3[s+]cc(-c4ccccc4)n3c2=O)cc1	ZINC000102308748	570288255	/nfs/dbraw/zinc/28/82/55/570288255.db2.gz	DXPSSCKWPGUDSP-UHFFFAOYSA-O	1	0	381.502	4.801	50	10		GJCARO
CCCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2cccc(OC)c2O)CC1	ZINC000034683353	570300885	/nfs/dbraw/zinc/30/08/85/570300885.db2.gz	CVUFHWNQMFLTPI-UHFFFAOYSA-N	1	0	396.531	4.507	50	10		GJCARO
COc1cccc([C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)N2CCCC2)c1	ZINC000024981560	570401260	/nfs/dbraw/zinc/40/12/60/570401260.db2.gz	SQEJPDILVKJNNM-RUZDIDTESA-N	1	0	393.575	4.612	50	10		GJCARO
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)cc1	ZINC000005098086	570417504	/nfs/dbraw/zinc/41/75/04/570417504.db2.gz	KHJFPIJEYBHQFD-HSZRJFAPSA-N	1	0	393.575	4.617	50	10		GJCARO
O=C(NC1CC[NH+](Cc2cc(Cl)cc(C3CCCCC3)c2O)CC1)C1CC1	ZINC000058129845	570709756	/nfs/dbraw/zinc/70/97/56/570709756.db2.gz	BPQMHMNZLNFUMN-UHFFFAOYSA-N	1	0	390.955	4.584	50	10		GJCARO
Oc1ccccc1[C@H](c1ccccc1)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000095944187	208238443	/nfs/dbraw/zinc/23/84/43/208238443.db2.gz	LSJYFIPTWRSYDP-DEOSSOPVSA-N	1	0	392.930	4.953	50	10		GJCARO
COc1ccc2ccc(O)c(C[N@H+](C)Cc3ccccc3N3CCCC3)c2c1	ZINC000008193921	221030367	/nfs/dbraw/zinc/03/03/67/221030367.db2.gz	RPDOUJQOEAISPE-UHFFFAOYSA-N	1	0	376.500	4.786	50	10		GJCARO
CCOCc1cc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)ccc1OC	ZINC000012704612	221219909	/nfs/dbraw/zinc/21/99/09/221219909.db2.gz	MYBDMOVKFLYFMP-QGZVFWFLSA-N	1	0	379.504	4.577	50	10		GJCARO
Cc1cccc(C)c1OC[C@@H](O)C[N@H+](Cc1ccccc1O)C1CCCCC1	ZINC000006082962	570238897	/nfs/dbraw/zinc/23/88/97/570238897.db2.gz	OEVWPQYNFDZFOL-QFIPXVFZSA-N	1	0	383.532	4.584	50	10		GJCARO
CCCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1	ZINC000034682753	570300472	/nfs/dbraw/zinc/30/04/72/570300472.db2.gz	SPUOILALPGKIDL-UHFFFAOYSA-N	1	0	397.538	4.689	50	10		GJCARO
c1c2ccccc2[nH]c1-c1ccc(N2CCC([NH2+][C@H]3CCCOC3)CC2)cc1	ZINC000023478118	570363202	/nfs/dbraw/zinc/36/32/02/570363202.db2.gz	JLROYHXRICPIAA-NRFANRHFSA-N	1	0	375.516	4.572	50	10		GJCARO
Oc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@@H+]1CCCC[C@H]1c1cccnc1	ZINC000023580636	570365954	/nfs/dbraw/zinc/36/59/54/570365954.db2.gz	FPDVLECASGUFRB-NRFANRHFSA-N	1	0	388.467	4.910	50	10		GJCARO
O=[P@@](c1ccccc1)([C@H](c1ccccc1O)[NH+]1CCCCC1)N1CCCCC1	ZINC000006340959	570477468	/nfs/dbraw/zinc/47/74/68/570477468.db2.gz	VXUMUJVFHPVKKH-LXFBAYGMSA-N	1	0	398.487	4.966	50	10		GJCARO
Cc1oc2ccc(O)c(C[NH+]3CCCCCC3)c2c1C(=O)NC1CCCCC1	ZINC000005182723	570496638	/nfs/dbraw/zinc/49/66/38/570496638.db2.gz	WVUITDWABKAKME-UHFFFAOYSA-N	1	0	384.520	4.885	50	10		GJCARO
CCN(C)c1ccc(C[NH2+]Cc2ccccc2OCc2cccnc2)cc1F	ZINC000078823193	570509522	/nfs/dbraw/zinc/50/95/22/570509522.db2.gz	VVMLIIXOHBGNCP-UHFFFAOYSA-N	1	0	379.479	4.546	50	10		GJCARO
CCC[NH+](CCC)CCCNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1	ZINC000006751335	570569642	/nfs/dbraw/zinc/56/96/42/570569642.db2.gz	FEQFDPWVTZVPKL-UHFFFAOYSA-N	1	0	395.591	4.906	50	10		GJCARO
C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)Cc1ccc(N(C)C)cc1	ZINC000007361352	570833977	/nfs/dbraw/zinc/83/39/77/570833977.db2.gz	LNKBMPPUQPTNDX-IBGZPJMESA-N	1	0	387.527	4.879	50	10		GJCARO
CC[n+]1c(/C=C2/Sc3ccc(C)cc3N2CCO)ccc2ccc(C)cc21	ZINC000003639863	220661394	/nfs/dbraw/zinc/66/13/94/220661394.db2.gz	LQTUUWAVZHWYNL-UHFFFAOYSA-N	1	0	377.533	4.667	50	10		GJCARO
CC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)Cc1c(O)ccc2ccccc21	ZINC000013058853	221258700	/nfs/dbraw/zinc/25/87/00/221258700.db2.gz	BTGDMFJOFYLKKJ-UHFFFAOYSA-N	1	0	393.874	4.870	50	10		GJCARO
Oc1cccnc1N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O	ZINC000049757088	570272088	/nfs/dbraw/zinc/27/20/88/570272088.db2.gz	KKYHNYRUBSYTCZ-GOSISDBHSA-N	1	0	377.831	4.896	50	10	in-vitro	GJCARO
COc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(Cl)cc2)c1O	ZINC000036347463	570628600	/nfs/dbraw/zinc/62/86/00/570628600.db2.gz	ILOPGUHHROFSNW-OAQYLSRUSA-N	1	0	382.891	4.851	50	10		GJCARO
Cc1ccccc1C(=O)NC1CC[NH+](Cc2c(C)ccc(C(C)C)c2O)CC1	ZINC000095464157	208188973	/nfs/dbraw/zinc/18/89/73/208188973.db2.gz	QYMYTOQYRJQMSW-UHFFFAOYSA-N	1	0	380.532	4.527	50	10		GJCARO
Cc1oc2ccc(O)c(C[NH+]3CCCCC3)c2c1C(=O)Nc1ccc(C)cc1	ZINC000005182515	220841562	/nfs/dbraw/zinc/84/15/62/220841562.db2.gz	GLZUJOAZKLDPQM-UHFFFAOYSA-N	1	0	378.472	4.993	50	10		GJCARO
Cc1cc2c(n1-c1ccc(C(=O)NCCC[NH+]3CCCCCC3)cc1)CCCC2	ZINC000006877895	220974628	/nfs/dbraw/zinc/97/46/28/220974628.db2.gz	BVOOUUWUKMZJSQ-UHFFFAOYSA-N	1	0	393.575	4.660	50	10		GJCARO
CCCC(=O)N(c1ccc(CC)cc1)C1CC[NH+](Cc2ccccc2O)CC1	ZINC000034683411	570301100	/nfs/dbraw/zinc/30/11/00/570301100.db2.gz	CGJQONQNPWBFJG-UHFFFAOYSA-N	1	0	380.532	4.752	50	10		GJCARO
CCOc1ccc(C[N@H+](C)Cc2c(O)ccc3ccc(OC)cc32)cc1OC	ZINC000006209163	570342231	/nfs/dbraw/zinc/34/22/31/570342231.db2.gz	UPHFYOWPNXLLMN-UHFFFAOYSA-N	1	0	381.472	4.593	50	10		GJCARO
O=[P@](c1ccccc1)([C@@H](c1ccccc1O)[NH+]1CCCCC1)N1CCCCC1	ZINC000006340944	570477380	/nfs/dbraw/zinc/47/73/80/570477380.db2.gz	VXUMUJVFHPVKKH-NEKDWFFYSA-N	1	0	398.487	4.966	50	10		GJCARO
CCC[NH+](CCC)CCNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1	ZINC000006751334	570569624	/nfs/dbraw/zinc/56/96/24/570569624.db2.gz	JUWJKVRCEBDOMY-UHFFFAOYSA-N	1	0	381.564	4.516	50	10		GJCARO
Cc1oc2ccc(O)c(C[NH+]3CCC(C)CC3)c2c1C(=O)NC1CCCCC1	ZINC000006811157	570616258	/nfs/dbraw/zinc/61/62/58/570616258.db2.gz	XJHWLILWUOHTGN-UHFFFAOYSA-N	1	0	384.520	4.741	50	10		GJCARO
Cc1cc(C)cc(NC(=O)[C@@H]2CC23CC[NH+](Cc2cc(Cl)ccc2O)CC3)c1	ZINC000011968849	221140271	/nfs/dbraw/zinc/14/02/71/221140271.db2.gz	XRRDRQDEKCFARW-FQEVSTJZSA-N	1	0	398.934	4.903	50	10		GJCARO
COc1ccc(C(=O)C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)cc1	ZINC000014312166	221308338	/nfs/dbraw/zinc/30/83/38/221308338.db2.gz	DGFVOMBYSZKOCE-UHFFFAOYSA-N	1	0	375.468	4.649	50	10		GJCARO
Cc1ccc([C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C2CCCC2)o1	ZINC000095462789	136179448	/nfs/dbraw/zinc/17/94/48/136179448.db2.gz	RQKVUUKSGDNFPD-QHCPKHFHSA-N	1	0	386.511	4.709	50	10		GJCARO
Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1	ZINC000020781402	570280350	/nfs/dbraw/zinc/28/03/50/570280350.db2.gz	IOHOEJRYVDNTPY-HNNXBMFYSA-N	1	0	385.870	4.954	50	10		GJCARO
CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)cc1	ZINC000005098085	570417463	/nfs/dbraw/zinc/41/74/63/570417463.db2.gz	KHJFPIJEYBHQFD-QHCPKHFHSA-N	1	0	393.575	4.617	50	10		GJCARO
O=[P@@](c1ccccc1)([C@@H](c1ccccc1O)[NH+]1CCCCC1)N1CCCCC1	ZINC000006340955	570477317	/nfs/dbraw/zinc/47/73/17/570477317.db2.gz	VXUMUJVFHPVKKH-FIPFOOKPSA-N	1	0	398.487	4.966	50	10		GJCARO
O=[N+]([O-])c1ccccc1[C@@H]1c2cccn2CCCN1Cc1cc(Cl)ccc1O	ZINC000036347817	570563213	/nfs/dbraw/zinc/56/32/13/570563213.db2.gz	TZJNGUYAMNYKKM-OAQYLSRUSA-N	1	0	397.862	4.751	50	10		GJCARO
Cc1cccc(C)c1OC[C@H](O)C[N@H+](Cc1ccccc1O)C1CCCCC1	ZINC000006082959	570238875	/nfs/dbraw/zinc/23/88/75/570238875.db2.gz	OEVWPQYNFDZFOL-JOCHJYFZSA-N	1	0	383.532	4.584	50	10		GJCARO
COc1ccc2c(c1)N(C)/C(=C\C=C\c1sc3ccc(OC)cc3[n+]1C)S2	ZINC000247832962	570252465	/nfs/dbraw/zinc/25/24/65/570252465.db2.gz	LVDWEVPJGLYMLN-UHFFFAOYSA-N	1	0	397.545	4.840	50	10		GJCARO
Cc1oc2ccc(O)c(C[NH+]3CCCC3)c2c1C(=O)Nc1ccc(C)cc1C	ZINC000005182462	570496597	/nfs/dbraw/zinc/49/65/97/570496597.db2.gz	HHVZNGMGMRJWPG-UHFFFAOYSA-N	1	0	378.472	4.912	50	10		GJCARO
O=[N+]([O-])c1ccccc1[C@H]1c2cccn2CCCN1Cc1cc(Cl)ccc1O	ZINC000036347818	570563415	/nfs/dbraw/zinc/56/34/15/570563415.db2.gz	TZJNGUYAMNYKKM-NRFANRHFSA-N	1	0	397.862	4.751	50	10		GJCARO
COc1cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])c2ccccc2n1	ZINC000225408895	570570681	/nfs/dbraw/zinc/57/06/81/570570681.db2.gz	ADSJOGRCZCGJET-LBPRGKRZSA-N	1	0	376.378	4.819	50	10		GJCARO
COc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2cc(C)ccc2O)c1OC	ZINC000036347977	570630260	/nfs/dbraw/zinc/63/02/60/570630260.db2.gz	IXFCZQVPKJBRJD-QHCPKHFHSA-N	1	0	392.499	4.515	50	10		GJCARO
CCCC[N@H+](CC)CCNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1	ZINC000006877896	570669290	/nfs/dbraw/zinc/66/92/90/570669290.db2.gz	DDJBCENTIFPXEV-UHFFFAOYSA-N	1	0	381.564	4.516	50	10		GJCARO
Cc1ccc(C)c(C2=NC3(CC[NH+](C)CC3)N[C@H](c3cc(Cl)ccc3O)C2)c1	ZINC000065298056	570787543	/nfs/dbraw/zinc/78/75/43/570787543.db2.gz	NQDXKJFVIHGTAV-NRFANRHFSA-N	1	0	397.950	4.608	50	10	biogenic	GJCARO
O=C(c1cc(F)ccc1F)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1	ZINC000054518477	570962059	/nfs/dbraw/zinc/96/20/59/570962059.db2.gz	KRJQROQLFXPDLZ-UHFFFAOYSA-N	1	0	381.422	4.919	50	10		GJCARO
Oc1ccc(-c2cccnc2)cc1C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1	ZINC000011786226	206831686	/nfs/dbraw/zinc/83/16/86/206831686.db2.gz	HKSPMOWJTKERQM-UHFFFAOYSA-N	1	0	394.902	4.591	50	10		GJCARO
Cc1cnc(C)c(-c2ccc(O)c(C[NH+]3CCC(Cc4ccccc4)CC3)c2)n1	ZINC000011783328	221125083	/nfs/dbraw/zinc/12/50/83/221125083.db2.gz	CNOUIOUNIRERJJ-UHFFFAOYSA-N	1	0	387.527	4.921	50	10		GJCARO
COc1ccc(C[N@H+]2Cc3ccccc3O[C@H](c3ccccc3OC)C2)c(O)c1	ZINC000020821497	570282075	/nfs/dbraw/zinc/28/20/75/570282075.db2.gz	SXJNBAVEEVXBAM-DEOSSOPVSA-N	1	0	391.467	4.545	50	10		GJCARO
C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1c(O)ccc2ccccc21	ZINC000005067800	570410655	/nfs/dbraw/zinc/41/06/55/570410655.db2.gz	TUVCLDJAQUPYDA-UHFFFAOYSA-N	1	0	388.389	4.635	50	10		GJCARO
CC[N@@H+]1CCc2ccccc2C1(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1	ZINC000036040274	570559786	/nfs/dbraw/zinc/55/97/86/570559786.db2.gz	FFMTXCSTHCOXSL-UHFFFAOYSA-N	1	0	399.582	4.989	50	10		GJCARO
COc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cc(C)ccc2O)c1OC	ZINC000036347978	570630310	/nfs/dbraw/zinc/63/03/10/570630310.db2.gz	IXFCZQVPKJBRJD-HSZRJFAPSA-N	1	0	392.499	4.515	50	10		GJCARO
Cc1cnc(C)c(-c2ccc(O)c(C[NH2+]Cc3ccccc3C(F)(F)F)c2)n1	ZINC000299757448	570892412	/nfs/dbraw/zinc/89/24/12/570892412.db2.gz	HNBQXMVABREVGV-UHFFFAOYSA-N	1	0	387.405	4.775	50	10		GJCARO
Cc1ccc(C[N@H+](CCc2ccccc2)Cc2cc3c(cc2O)OCO3)s1	ZINC000014287199	207019069	/nfs/dbraw/zinc/01/90/69/207019069.db2.gz	WREGVOYMNFLGTB-UHFFFAOYSA-N	1	0	381.497	4.736	50	10		GJCARO
CC(/C=C1/Sc2ccc(O)cc2N1C)=C/c1sc2ccc(O)cc2[n+]1C	ZINC000685944444	570675397	/nfs/dbraw/zinc/67/53/97/570675397.db2.gz	MLMCTBTTWIDHCD-UHFFFAOYSA-O	1	0	383.518	4.624	50	10		GJCARO
COc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C)c(C)c2)c1O	ZINC000037522489	571024027	/nfs/dbraw/zinc/02/40/27/571024027.db2.gz	VUFRSDIHVOLQRL-HSZRJFAPSA-N	1	0	376.500	4.814	50	10		GJCARO
CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccccc2O)(c2ccccc2OC)CCO1	ZINC000004029023	206498562	/nfs/dbraw/zinc/49/85/62/206498562.db2.gz	ZURXJQRDJNACHN-ZEQRLZLVSA-N	1	0	383.532	4.798	50	10	biogenic	GJCARO
COc1ccc(N2CC[NH+](Cc3cc(C(C)C)c(O)c(C(C)C)c3)CC2)cc1	ZINC000063110738	136156420	/nfs/dbraw/zinc/15/64/20/136156420.db2.gz	JDRKZVNXMWECLM-UHFFFAOYSA-N	1	0	382.548	4.970	50	10		GJCARO
Cc1oc2ccc(O)c(C[NH+]3CCC(C)CC3)c2c1C(=O)Nc1ccccc1	ZINC000005182623	570496289	/nfs/dbraw/zinc/49/62/89/570496289.db2.gz	QKBWXSVQVOOCRC-UHFFFAOYSA-N	1	0	378.472	4.931	50	10		GJCARO
Cc1oc2ccc(O)c(C[N@H+]3CCC[C@H](C)C3)c2c1C(=O)NC1CCCCC1	ZINC000006811155	570616178	/nfs/dbraw/zinc/61/61/78/570616178.db2.gz	FLQSUCUCRGVBFL-HNNXBMFYSA-N	1	0	384.520	4.741	50	10		GJCARO
Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1cc(Cl)ccc1O	ZINC000004678300	570824285	/nfs/dbraw/zinc/82/42/85/570824285.db2.gz	IHOMIQDPAVQEQK-UHFFFAOYSA-N	1	0	392.684	4.821	50	10		GJCARO
CCCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1	ZINC000034682994	570300577	/nfs/dbraw/zinc/30/05/77/570300577.db2.gz	SQRYIXYZISAXHT-UHFFFAOYSA-N	1	0	393.575	4.859	50	10		GJCARO
Oc1cc2c(cc1[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1)OCO2	ZINC000004377856	570372220	/nfs/dbraw/zinc/37/22/20/570372220.db2.gz	QHIRQGSTFWHKTB-IBGZPJMESA-N	1	0	379.378	4.715	50	10		GJCARO
Cc1cc2c(n1-c1ccc(C(=O)NCC[N@@H+](C)C3CCCCC3)cc1)CCCC2	ZINC000006877908	570669227	/nfs/dbraw/zinc/66/92/27/570669227.db2.gz	BHZDWUUICIMGFH-UHFFFAOYSA-N	1	0	393.575	4.659	50	10		GJCARO
COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1	ZINC000015001000	207040439	/nfs/dbraw/zinc/04/04/39/207040439.db2.gz	SACLPJPUKJJAOB-MRXNPFEDSA-N	1	0	397.906	4.824	50	10		GJCARO
COc1ccc(OC)c(-c2ccc(O)c(C[N@@H+]3CCc4ccccc4C3)c2)c1	ZINC000012190179	221164839	/nfs/dbraw/zinc/16/48/39/221164839.db2.gz	LSYZPZOILNMCEJ-UHFFFAOYSA-N	1	0	375.468	4.635	50	10		GJCARO
CCC1(O)[C@H](C)[C@H](c2ccc(N(C)C)cc2)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]1C	ZINC000239331263	570429409	/nfs/dbraw/zinc/42/94/09/570429409.db2.gz	KJQBZHDKPAMYIE-MCJPXMOYSA-N	1	0	395.591	4.618	50	10		GJCARO
Cc1oc2ccc(O)c(C[N@H+]3CCCC[C@H]3C)c2c1C(=O)NC1CCCCC1	ZINC000006811154	570616134	/nfs/dbraw/zinc/61/61/34/570616134.db2.gz	HEGOQCHHMDGGSG-OAHLLOKOSA-N	1	0	384.520	4.884	50	10		GJCARO
CCOCc1cc(C[NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)ccc1OC	ZINC000012200092	221166564	/nfs/dbraw/zinc/16/65/64/221166564.db2.gz	QXHBIHGWOOUROD-MRXNPFEDSA-N	1	0	397.494	4.716	50	10		GJCARO
CC(C)(C)OC(=O)NC1CC[NH+]([C@H](c2cccs2)c2ccccc2O)CC1	ZINC000025760643	570419174	/nfs/dbraw/zinc/41/91/74/570419174.db2.gz	UUMHTMZBVBXNOV-IBGZPJMESA-N	1	0	388.533	4.532	50	10		GJCARO
CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1	ZINC000004987369	570421857	/nfs/dbraw/zinc/42/18/57/570421857.db2.gz	KKQJGFBCASOIAI-INIZCTEOSA-N	1	0	375.553	4.762	50	10		GJCARO
Cc1oc2ccc(O)c(C[N@H+]3CCC[C@H](C)C3)c2c1C(=O)Nc1ccccc1	ZINC000005182580	570496025	/nfs/dbraw/zinc/49/60/25/570496025.db2.gz	MBMRXFVFSYRHJW-HNNXBMFYSA-N	1	0	378.472	4.931	50	10		GJCARO
Cc1oc2ccc(O)c(C[NH+]3CCCCCC3)c2c1C(=O)NCc1ccccc1	ZINC000005182725	570496329	/nfs/dbraw/zinc/49/63/29/570496329.db2.gz	UVSZVXTWCBEEDX-UHFFFAOYSA-N	1	0	392.499	4.753	50	10		GJCARO
OCC1(Cc2ccccc2Cl)CC[NH+](Cc2cc(Cl)ccc2O)CC1	ZINC000012210667	570627301	/nfs/dbraw/zinc/62/73/01/570627301.db2.gz	ZZTVGDBNQOPIHQ-UHFFFAOYSA-N	1	0	380.315	4.516	50	10		GJCARO
CC(/C=C1/Sc2cc(O)ccc2N1C)=C/c1sc2cc(O)ccc2[n+]1C	ZINC000685944651	570675875	/nfs/dbraw/zinc/67/58/75/570675875.db2.gz	YUFIBQLXUVIOFC-UHFFFAOYSA-O	1	0	383.518	4.624	50	10		GJCARO
COc1ccc(CC[N@H+](C)Cc2cc(-c3ccc(F)cc3)ccc2O)cc1OC	ZINC000299790347	209088438	/nfs/dbraw/zinc/08/84/38/209088438.db2.gz	CEJWSCGLKFUFMU-UHFFFAOYSA-N	1	0	395.474	4.890	50	10		GJCARO
COc1ccc(C[NH2+]Cc2cc(-c3nc4ccccc4s3)ccc2O)cc1	ZINC000011871688	221133820	/nfs/dbraw/zinc/13/38/20/221133820.db2.gz	GNQFUEAEYQPUBP-UHFFFAOYSA-N	1	0	376.481	4.967	50	10		GJCARO
Cc1oc2ccc(O)c(C[NH+]3CCC(C)CC3)c2c1C(=O)NCc1ccccc1	ZINC000005182635	570496647	/nfs/dbraw/zinc/49/66/47/570496647.db2.gz	HIYXWLOZPNDEAC-UHFFFAOYSA-N	1	0	392.499	4.609	50	10		GJCARO
CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccccc2O)(c2ccc(OC)cc2)CCO1	ZINC000004029064	570539887	/nfs/dbraw/zinc/53/98/87/570539887.db2.gz	JIQAHUHUQCSDSD-BJKOFHAPSA-N	1	0	383.532	4.798	50	10	biogenic	GJCARO
Cc1oc2ccc(O)c(C[N@H+]3CCC[C@@H](C)C3)c2c1C(=O)NC1CCCCC1	ZINC000006811156	570616221	/nfs/dbraw/zinc/61/62/21/570616221.db2.gz	FLQSUCUCRGVBFL-OAHLLOKOSA-N	1	0	384.520	4.741	50	10		GJCARO
COc1ccccc1[C@@]1(CC[NH2+]Cc2ccc(N(C)C)cc2)CCOC(C)(C)C1	ZINC000003999244	206497611	/nfs/dbraw/zinc/49/76/11/206497611.db2.gz	OAVTYOIOESAJKW-VWLOTQADSA-N	1	0	396.575	4.768	50	10	biogenic	GJCARO
COc1cccc([C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)N2CCCC2)c1	ZINC000024981567	207298620	/nfs/dbraw/zinc/29/86/20/207298620.db2.gz	SQEJPDILVKJNNM-VWLOTQADSA-N	1	0	393.575	4.612	50	10		GJCARO
Cc1cnc(C)c(-c2ccc(O)c(C[N@H+]3CC=C(c4ccc(F)cc4)CC3)c2)n1	ZINC000012454200	221198556	/nfs/dbraw/zinc/19/85/56/221198556.db2.gz	FEIYVNFGEZPQJI-UHFFFAOYSA-N	1	0	389.474	4.894	50	10		GJCARO
COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1	ZINC000015001003	221325946	/nfs/dbraw/zinc/32/59/46/221325946.db2.gz	SACLPJPUKJJAOB-INIZCTEOSA-N	1	0	397.906	4.824	50	10		GJCARO
Cc1[nH]c2ccc(NC=C3C(C)=NN(c4cccc5ccccc54)C3=O)cc2[nH+]1	ZINC000005336361	570556194	/nfs/dbraw/zinc/55/61/94/570556194.db2.gz	XTMMZHZXHRZASG-UYRXBGFRSA-N	1	0	381.439	4.743	50	10		GJCARO
CCCC[N@H+](C)CCCNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1	ZINC000006751336	570569609	/nfs/dbraw/zinc/56/96/09/570569609.db2.gz	NQDWASDPLPODGA-UHFFFAOYSA-N	1	0	381.564	4.516	50	10		GJCARO
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1	ZINC000005688713	570810447	/nfs/dbraw/zinc/81/04/47/570810447.db2.gz	KXOQURSYRIUBLU-JOCHJYFZSA-N	1	0	391.515	4.644	50	10		GJCARO
Oc1c([C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)ccc2cccnc21	ZINC000004871543	570933960	/nfs/dbraw/zinc/93/39/60/570933960.db2.gz	VMPFQVVBVXXCJQ-LJQANCHMSA-N	1	0	383.289	4.888	50	10		GJCARO
Oc1ccc(-c2ccccn2)cc1C[NH2+]CC1(N2CCCCC2)CCCCC1	ZINC000032529732	207398049	/nfs/dbraw/zinc/39/80/49/207398049.db2.gz	AYLJFTKRIHMHCH-UHFFFAOYSA-N	1	0	379.548	4.733	50	10		GJCARO
COc1ccccc1[C@@H]1C[N@@H+](Cc2c(O)cccc2OC)Cc2ccccc2O1	ZINC000020910731	207219825	/nfs/dbraw/zinc/21/98/25/207219825.db2.gz	DLAVEMMBYVWVFT-DEOSSOPVSA-N	1	0	391.467	4.545	50	10		GJCARO
CCOCc1cc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)ccc1OC	ZINC000012704607	517709248	/nfs/dbraw/zinc/70/92/48/517709248.db2.gz	MYBDMOVKFLYFMP-KRWDZBQOSA-N	1	0	379.504	4.577	50	10		GJCARO
Oc1ccc2cc(Br)ccc2c1C[NH+]1CCN(c2ccccc2)CC1	ZINC000033376942	570242312	/nfs/dbraw/zinc/24/23/12/570242312.db2.gz	MZRDPZSHDTVNGN-UHFFFAOYSA-N	1	0	397.316	4.630	50	10		GJCARO
CN(C)c1ccc(C[NH2+]CC[C@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1	ZINC000002289909	570281330	/nfs/dbraw/zinc/28/13/30/570281330.db2.gz	UVNVEQCDFHIDNB-HSZRJFAPSA-N	1	0	388.511	4.793	50	10		GJCARO
c1c2ccccc2[nH]c1-c1ccc(N2CCC([NH2+]C3CCOCC3)CC2)cc1	ZINC000023369058	570357162	/nfs/dbraw/zinc/35/71/62/570357162.db2.gz	RDQXZIYRHICFBA-UHFFFAOYSA-N	1	0	375.516	4.572	50	10		GJCARO
Cc1oc2ccc(O)c(C[NH+]3CCCCC3)c2c1C(=O)OCCc1ccccc1	ZINC000005182498	570496494	/nfs/dbraw/zinc/49/64/94/570496494.db2.gz	KZDUJLPWBJQVHG-UHFFFAOYSA-N	1	0	393.483	4.832	50	10		GJCARO
Oc1ccccc1[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000095944188	208238791	/nfs/dbraw/zinc/23/87/91/208238791.db2.gz	LSJYFIPTWRSYDP-XMMPIXPASA-N	1	0	392.930	4.953	50	10		GJCARO
Oc1cc2c(cc1[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1)OCO2	ZINC000004377857	570372146	/nfs/dbraw/zinc/37/21/46/570372146.db2.gz	QHIRQGSTFWHKTB-LJQANCHMSA-N	1	0	379.378	4.715	50	10		GJCARO
CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1	ZINC000004987365	570421702	/nfs/dbraw/zinc/42/17/02/570421702.db2.gz	KKQJGFBCASOIAI-MRXNPFEDSA-N	1	0	375.553	4.762	50	10		GJCARO
Cc1ccc(OCc2nc(C[NH2+]CCCSc3nccs3)cs2)cc1	ZINC000072310914	570537437	/nfs/dbraw/zinc/53/74/37/570537437.db2.gz	LOFJMXOHYQAJGU-UHFFFAOYSA-N	1	0	391.587	4.759	50	10		GJCARO
CCN1c2ccccc2S/C1=C\c1sc2cc3c(cc2[n+]1CC)OCO3	ZINC000685944668	570675863	/nfs/dbraw/zinc/67/58/63/570675863.db2.gz	ZNZDPHIBYXGPSF-UHFFFAOYSA-N	1	0	383.518	4.868	50	10		GJCARO