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@H](NCc1ccnn1C)c1ccc(N2CCOCC2)c(F)c1	ZINC000152184424	402080508	/nfs/dbraw/zinc/08/05/08/402080508.db2.gz	RXBJYKCGDAIQLB-ZDUSSCGKSA-N	0	1	318.396	2.247	10	10		DECEMN
Cc1nc([C@H]2CN(Cc3cc(Cl)ccc3O)CCO2)n[nH]1	ZINC000180110249	402607827	/nfs/dbraw/zinc/60/78/27/402607827.db2.gz	KHBOOXOZEVNZSI-CYBMUJFWSA-N	0	1	308.769	2.046	10	10		DECEMN
Cc1cnn(C[C@@H]2CN(Cc3cccc(C)c3O)CCO2)c1	ZINC000180129323	526264659	/nfs/dbraw/zinc/26/46/59/526264659.db2.gz	QYQLVLYSIXARFJ-INIZCTEOSA-N	0	1	301.390	2.107	10	10		DECEMN
COc1cc(CN2CC[C@@](O)(C(F)(F)F)C2)c(O)cc1C	ZINC000191432556	684428159	/nfs/dbraw/zinc/42/81/59/684428159.db2.gz	ZSQGOZCOEJQUEQ-ZDUSSCGKSA-N	0	1	305.296	2.208	10	10		DECEMN
Cc1nc([C@H]2CN(Cc3cc(Cl)cc(C)c3O)CCO2)n[nH]1	ZINC000180612869	402621316	/nfs/dbraw/zinc/62/13/16/402621316.db2.gz	ZFKKDRXIUWARCX-CYBMUJFWSA-N	0	1	322.796	2.354	10	10		DECEMN
Cc1nn(C)cc1C[NH2+]Cc1cc(Br)ccc1[O-]	ZINC000235820701	632926657	/nfs/dbraw/zinc/92/66/57/632926657.db2.gz	GSVLYGGFTPYVHV-UHFFFAOYSA-N	0	1	310.195	2.486	10	10		DECEMN
CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c1[O-]	ZINC000750045048	638706467	/nfs/dbraw/zinc/70/64/67/638706467.db2.gz	SHMIHHJJDAYXCP-ZDUSSCGKSA-N	0	1	324.808	2.478	10	10		DECEMN
CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CC(N)=O)c1[O-]	ZINC000750045048	638706470	/nfs/dbraw/zinc/70/64/70/638706470.db2.gz	SHMIHHJJDAYXCP-ZDUSSCGKSA-N	0	1	324.808	2.478	10	10		DECEMN
[O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCC[C@@H]1O	ZINC000230702440	646744767	/nfs/dbraw/zinc/74/47/67/646744767.db2.gz	RZILEDSJANPKCT-SKDRFNHKSA-N	0	1	300.196	2.405	10	10		DECEMN
[O-]c1cc(Br)ccc1C[NH2+]CC[C@H](O)C(F)F	ZINC000716774637	793006314	/nfs/dbraw/zinc/00/63/14/793006314.db2.gz	NADHZZSUMFHIJZ-VIFPVBQESA-N	0	1	310.138	2.260	10	10		DECEMN
C[C@@H](NCc1ccnn1C)c1ccc(N2CCOCC2)c(F)c1	ZINC000152184521	402080274	/nfs/dbraw/zinc/08/02/74/402080274.db2.gz	RXBJYKCGDAIQLB-CYBMUJFWSA-N	0	1	318.396	2.247	10	10		DECEMN
NC(=O)[C@H]1Cc2ccccc2CN1Cc1cccc(Cl)c1O	ZINC000179602379	295164704	/nfs/dbraw/zinc/16/47/04/295164704.db2.gz	QLPBMUVDMVQVNN-OAHLLOKOSA-N	0	1	316.788	2.458	10	10		DECEMN
Cc1noc([C@@H]2COCCN2Cc2cccc(Cl)c2O)n1	ZINC000188477038	534468716	/nfs/dbraw/zinc/46/87/16/534468716.db2.gz	KHQUECIWRYLSPJ-LBPRGKRZSA-N	0	1	309.753	2.311	10	10		DECEMN
Cc1cc(C)n(C[C@H]2CN(Cc3cccc(C)c3O)CCO2)n1	ZINC000180130433	524535813	/nfs/dbraw/zinc/53/58/13/524535813.db2.gz	OXTDTXPPXGCGGD-QGZVFWFLSA-N	0	1	315.417	2.415	10	10		DECEMN
Oc1ccccc1CN1CCN(Cc2nccn2C(F)F)CC1	ZINC000179564554	625803491	/nfs/dbraw/zinc/80/34/91/625803491.db2.gz	WWTHRXYMDPYSNX-UHFFFAOYSA-N	0	1	322.359	2.302	10	10		DECEMN
[O-]c1c(Br)cccc1CN1CC[N@H+]2CCC[C@@H]2C1	ZINC000179952720	648440969	/nfs/dbraw/zinc/44/09/69/648440969.db2.gz	GZEWXLZBZPGVHJ-GFCCVEGCSA-N	0	1	311.223	2.435	10	10		DECEMN
[O-]c1cccc(Br)c1C[NH2+]CC[C@@H](O)C(F)F	ZINC000716747096	793004706	/nfs/dbraw/zinc/00/47/06/793004706.db2.gz	VSJVGOCUEAFFJQ-SNVBAGLBSA-N	0	1	310.138	2.260	10	10		DECEMN
CC[C@H]([NH2+]CCNC(C)=O)c1cc(Br)ccc1[O-]	ZINC000020148906	182192373	/nfs/dbraw/zinc/19/23/73/182192373.db2.gz	HKHNDITXYIILOZ-LBPRGKRZSA-N	0	1	315.211	2.332	10	10		DECEMN
Cc1nnc([C@H]2CN(Cc3cc(C)c(C)cc3O)CCO2)[nH]1	ZINC000180109305	402607666	/nfs/dbraw/zinc/60/76/66/402607666.db2.gz	SCGULRXIANCMQR-OAHLLOKOSA-N	0	1	302.378	2.009	10	10		DECEMN
COc1cccc(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1O	ZINC000246127383	278010974	/nfs/dbraw/zinc/01/09/74/278010974.db2.gz	KQTODKKALIIWHI-SOUVJXGZSA-N	0	1	307.390	2.169	10	10		DECEMN
C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1N1CCOCC1	ZINC000245754792	533951655	/nfs/dbraw/zinc/95/16/55/533951655.db2.gz	OKNIEBWILAWNLX-SWLSCSKDSA-N	0	1	310.825	2.198	10	10		DECEMN
C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1N1CCOCC1	ZINC000245754792	533951664	/nfs/dbraw/zinc/95/16/64/533951664.db2.gz	OKNIEBWILAWNLX-SWLSCSKDSA-N	0	1	310.825	2.198	10	10		DECEMN
COc1cnccc1[C@@H](C)NCc1cc2c(cc1O)OCO2	ZINC000189549467	684383072	/nfs/dbraw/zinc/38/30/72/684383072.db2.gz	NKHHDDJEMLVHGY-SNVBAGLBSA-N	0	1	302.330	2.375	10	10		DECEMN
[O-]c1cccc(Br)c1C[NH2+][C@H](CO)C1CCC1	ZINC000717642450	799427105	/nfs/dbraw/zinc/42/71/05/799427105.db2.gz	MSWZJBGMERRVJU-GFCCVEGCSA-N	0	1	300.196	2.405	10	10		DECEMN
COC[C@H](CC[NH2+]Cc1ccc(Br)cc1[O-])OC	ZINC000701043337	1086348408	/nfs/dbraw/zinc/34/84/08/1086348408.db2.gz	LDJWGYPFFKQSBC-LBPRGKRZSA-N	0	1	318.211	2.296	10	10		DECEMN
Cc1cnn(C[C@@H]2CN(Cc3cc(C)c(C)cc3O)CCO2)c1	ZINC000112072104	401730239	/nfs/dbraw/zinc/73/02/39/401730239.db2.gz	VQVCDFGDIRJMAM-KRWDZBQOSA-N	0	1	315.417	2.415	10	10		DECEMN
CCOc1ccc(O)c(CN2CCN(c3cc(C)[nH]n3)CC2)c1	ZINC000189015721	225041208	/nfs/dbraw/zinc/04/12/08/225041208.db2.gz	UHMWYTBEFYOQRL-UHFFFAOYSA-N	0	1	316.405	2.145	10	10		DECEMN
Oc1ccc(Cl)c(F)c1CN1CCO[C@]2(CCOC2)C1	ZINC000191502460	225111697	/nfs/dbraw/zinc/11/16/97/225111697.db2.gz	NWOUBTITVSZBQX-CQSZACIVSA-N	0	1	301.745	2.176	10	10		DECEMN
c1cc(N2CCOCC2)ccc1CN1CCO[C@H](C2CC2)C1	ZINC000368878642	534472201	/nfs/dbraw/zinc/47/22/01/534472201.db2.gz	DGLNNXPACKMLID-SFHVURJKSA-N	0	1	302.418	2.134	10	10		DECEMN
Cc1cc(C)c(O)c(CN2CCO[C@@H](Cn3cccn3)C2)c1	ZINC000164385078	646435565	/nfs/dbraw/zinc/43/55/65/646435565.db2.gz	LMZYISKDJVGYKL-MRXNPFEDSA-N	0	1	301.390	2.107	10	10		DECEMN
CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Br)ccc1O	ZINC000233879567	648357587	/nfs/dbraw/zinc/35/75/87/648357587.db2.gz	RJEHUFCERHCQQE-SNVBAGLBSA-N	0	1	302.168	2.450	10	10		DECEMN
CC(C)(C[NH2+]Cc1cc(Cl)ccc1[O-])CS(C)(=O)=O	ZINC000723882634	777200761	/nfs/dbraw/zinc/20/07/61/777200761.db2.gz	KTWSWNWOSVNBSG-UHFFFAOYSA-N	0	1	305.827	2.206	10	10		DECEMN
CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCN1C[C@H](C)O	ZINC000245734190	402484202	/nfs/dbraw/zinc/48/42/02/402484202.db2.gz	KHEAUDZXCWFWSV-RDJZCZTQSA-N	0	1	305.466	2.030	10	10		DECEMN
c1cc(N2CCOCC2)ccc1CN1CCO[C@@H]2CCC[C@@H]21	ZINC000372442664	534472732	/nfs/dbraw/zinc/47/27/32/534472732.db2.gz	VCXJLTASJPSUPM-ZWKOTPCHSA-N	0	1	302.418	2.277	10	10		DECEMN
CCCN(Cc1cc2c(cc1O)CCC2)[C@@H]1CCS(=O)(=O)C1	ZINC000073342789	633054033	/nfs/dbraw/zinc/05/40/33/633054033.db2.gz	OUXOZBGVUCNLKQ-MRXNPFEDSA-N	0	1	323.458	2.280	10	10		DECEMN
CN(C)c1ccc(CNC(=O)N2CCN3CCCC[C@H]3C2)cc1	ZINC000195223560	685091752	/nfs/dbraw/zinc/09/17/52/685091752.db2.gz	MKRKNBNVJOCZQX-KRWDZBQOSA-N	0	1	316.449	2.132	10	10		DECEMN
CC(=O)c1cc(F)cc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1[O-]	ZINC000175672777	402824559	/nfs/dbraw/zinc/82/45/59/402824559.db2.gz	YNMUBHRKNHGFAH-XHDPSFHLSA-N	0	1	306.381	2.402	10	10		DECEMN
CC(=O)c1cc(F)cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1[O-]	ZINC000175672777	402824561	/nfs/dbraw/zinc/82/45/61/402824561.db2.gz	YNMUBHRKNHGFAH-XHDPSFHLSA-N	0	1	306.381	2.402	10	10		DECEMN
[O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](N2CCOCC2)C1	ZINC000191255520	225107577	/nfs/dbraw/zinc/10/75/77/225107577.db2.gz	GCFMANJQOLTNDB-NSHDSACASA-N	0	1	314.788	2.091	10	10		DECEMN
[O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[C@@H]1O	ZINC000230702436	646744806	/nfs/dbraw/zinc/74/48/06/646744806.db2.gz	RZILEDSJANPKCT-CABZTGNLSA-N	0	1	300.196	2.405	10	10		DECEMN
O=S1(=O)CCC[C@H]1CC[NH2+]Cc1c([O-])cccc1Cl	ZINC000714334068	792308705	/nfs/dbraw/zinc/30/87/05/792308705.db2.gz	CZEZKUWAOQSTMS-JTQLQIEISA-N	0	1	303.811	2.103	10	10		DECEMN
CCOc1ccc(O)c(C[N@H+]2CCN(C[C@@H](C)O)[C@H](CC)C2)c1	ZINC000120753269	402001074	/nfs/dbraw/zinc/00/10/74/402001074.db2.gz	KCWBYYWTDVYEPZ-GDBMZVCRSA-N	0	1	322.449	2.068	10	10		DECEMN
CCOc1ccc(O)c(C[N@H+]2CCN(C[C@@H](C)O)[C@@H](CC)C2)c1	ZINC000120753429	402001121	/nfs/dbraw/zinc/00/11/21/402001121.db2.gz	KCWBYYWTDVYEPZ-ZBFHGGJFSA-N	0	1	322.449	2.068	10	10		DECEMN
C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1N1CCOCC1	ZINC000245754785	225222870	/nfs/dbraw/zinc/22/28/70/225222870.db2.gz	OKNIEBWILAWNLX-IUODEOHRSA-N	0	1	310.825	2.198	10	10		DECEMN
C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1N1CCOCC1	ZINC000245754785	225222874	/nfs/dbraw/zinc/22/28/74/225222874.db2.gz	OKNIEBWILAWNLX-IUODEOHRSA-N	0	1	310.825	2.198	10	10		DECEMN
CC[C@@H](O)CN1CCN(Cc2cc(Cl)cc(C)c2O)CC1	ZINC000180164354	523001320	/nfs/dbraw/zinc/00/13/20/523001320.db2.gz	FRJTXTPFZQMMPC-OAHLLOKOSA-N	0	1	312.841	2.243	10	10		DECEMN
COC(=O)[C@@H]1CN(Cc2c(O)ccc3ccccc32)C[C@@H](C)O1	ZINC000092013231	624868217	/nfs/dbraw/zinc/86/82/17/624868217.db2.gz	VPHDYQRGYVGGSM-PXAZEXFGSA-N	0	1	315.369	2.308	10	10		DECEMN
COCC[C@@H](COC)[NH2+]Cc1cc(Br)ccc1[O-]	ZINC000310847615	625193943	/nfs/dbraw/zinc/19/39/43/625193943.db2.gz	PAVSFSVDMLXZRA-LBPRGKRZSA-N	0	1	318.211	2.296	10	10		DECEMN
COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cccc(OC)c1O	ZINC000248837175	277111559	/nfs/dbraw/zinc/11/15/59/277111559.db2.gz	MUBPNCNCBHLRQM-ZLDLUXBVSA-N	0	1	305.374	2.174	10	10		DECEMN
C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1N1CCOCC1	ZINC000245949785	533953400	/nfs/dbraw/zinc/95/34/00/533953400.db2.gz	WRWHWYVXNWEGBY-SWLSCSKDSA-N	0	1	310.825	2.198	10	10		DECEMN
Cc1cc(Cl)cc(CN2CCN(c3cnn(C)c3)CC2)c1O	ZINC000180241150	524863647	/nfs/dbraw/zinc/86/36/47/524863647.db2.gz	NRYYLHNJRUWCEL-UHFFFAOYSA-N	0	1	320.824	2.410	10	10		DECEMN
O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1O	ZINC000691412009	968907568	/nfs/dbraw/zinc/90/75/68/968907568.db2.gz	BMQGHEGNSUGWDH-SNVBAGLBSA-N	0	1	300.152	2.204	10	10		DECEMN
O=C([O-])[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1O	ZINC000691412009	968907573	/nfs/dbraw/zinc/90/75/73/968907573.db2.gz	BMQGHEGNSUGWDH-SNVBAGLBSA-N	0	1	300.152	2.204	10	10		DECEMN
CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1O	ZINC000175680719	402825160	/nfs/dbraw/zinc/82/51/60/402825160.db2.gz	UMLSJSAFMPHQID-GFCCVEGCSA-N	0	1	317.364	2.457	10	10		DECEMN
CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1[O-]	ZINC000175680719	402825164	/nfs/dbraw/zinc/82/51/64/402825164.db2.gz	UMLSJSAFMPHQID-GFCCVEGCSA-N	0	1	317.364	2.457	10	10		DECEMN
COC[C@](C)(CCO)[NH2+]Cc1cc(Br)ccc1[O-]	ZINC000175852968	402838135	/nfs/dbraw/zinc/83/81/35/402838135.db2.gz	NGPNJQDQKXXOJE-ZDUSSCGKSA-N	0	1	318.211	2.032	10	10		DECEMN
Cc1nc([C@@H](NC(=O)c2cccc(O)c2O)c2ccccc2)n[nH]1	ZINC000193014160	534553406	/nfs/dbraw/zinc/55/34/06/534553406.db2.gz	UYZRFRGXSWPKDL-AWEZNQCLSA-N	0	1	324.340	2.044	10	10		DECEMN
COc1cc(O)c(CN2CCC[C@@H]2c2cnn(C)c2)cc1OC	ZINC000160132703	522775106	/nfs/dbraw/zinc/77/51/06/522775106.db2.gz	ZXZPOPJVOUDRAU-CQSZACIVSA-N	0	1	317.389	2.480	10	10		DECEMN
C[N@H+](Cc1cc(Br)ccc1[O-])CC1(CO)CC1	ZINC000188956887	523164680	/nfs/dbraw/zinc/16/46/80/523164680.db2.gz	LSRXJVHJGDJLNI-UHFFFAOYSA-N	0	1	300.196	2.359	10	10		DECEMN
C[N@@H+](Cc1cc(Br)ccc1[O-])CC1(CO)CC1	ZINC000188956887	523164704	/nfs/dbraw/zinc/16/47/04/523164704.db2.gz	LSRXJVHJGDJLNI-UHFFFAOYSA-N	0	1	300.196	2.359	10	10		DECEMN
C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccnn1C	ZINC000192698095	533447104	/nfs/dbraw/zinc/44/71/04/533447104.db2.gz	BZQSPKDNDBEQLS-CYBMUJFWSA-N	0	1	318.396	2.247	10	10		DECEMN
C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1N1CCOCC1	ZINC000180655528	525003801	/nfs/dbraw/zinc/00/38/01/525003801.db2.gz	WRWHWYVXNWEGBY-DOMZBBRYSA-N	0	1	310.825	2.198	10	10		DECEMN
CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1[O-]	ZINC000247330604	527211242	/nfs/dbraw/zinc/21/12/42/527211242.db2.gz	YNMUBHRKNHGFAH-NHYWBVRUSA-N	0	1	306.381	2.402	10	10		DECEMN
CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1[O-]	ZINC000247330604	527211247	/nfs/dbraw/zinc/21/12/47/527211247.db2.gz	YNMUBHRKNHGFAH-NHYWBVRUSA-N	0	1	306.381	2.402	10	10		DECEMN
COc1cc(C)cc(CN2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c1O	ZINC000246545782	685132366	/nfs/dbraw/zinc/13/23/66/685132366.db2.gz	LGVMCORSBJRIHS-ARFHVFGLSA-N	0	1	321.417	2.478	10	10		DECEMN
C[C@H](C[N@@H+](C)Cc1ccc(Br)cc1O)C(=O)[O-]	ZINC000691438108	976355235	/nfs/dbraw/zinc/35/52/35/976355235.db2.gz	VILQFISLBWTLEX-MRVPVSSYSA-N	0	1	302.168	2.307	10	10		DECEMN
COC(=O)[C@H]1CCCN1Cc1cccc(Br)c1O	ZINC000179899001	625908183	/nfs/dbraw/zinc/90/81/83/625908183.db2.gz	QBGGXQWORCPMAX-LLVKDONJSA-N	0	1	314.179	2.292	10	10		DECEMN
[O-]c1cc(Br)ccc1C[NH2+]CC[C@@H](O)C(F)F	ZINC000716774635	793006281	/nfs/dbraw/zinc/00/62/81/793006281.db2.gz	NADHZZSUMFHIJZ-SECBINFHSA-N	0	1	310.138	2.260	10	10		DECEMN
CCOc1ccc(O)c(CN2CC[C@@](O)(C(F)(F)F)C2)c1	ZINC000093612150	402017694	/nfs/dbraw/zinc/01/76/94/402017694.db2.gz	MQFSBFIMPXLEDJ-ZDUSSCGKSA-N	0	1	305.296	2.290	10	10		DECEMN
Oc1ccccc1CN(C[C@@H](O)C(F)(F)F)C[C@@H]1CCCO1	ZINC000248396999	402588921	/nfs/dbraw/zinc/58/89/21/402588921.db2.gz	QZOJJBCGIONITE-GXTWGEPZSA-N	0	1	319.323	2.296	10	10		DECEMN
C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC1(CO)CC1	ZINC000188952506	523172038	/nfs/dbraw/zinc/17/20/38/523172038.db2.gz	XQYNJIVLDLLWGS-UHFFFAOYSA-N	0	1	300.742	2.158	10	10		DECEMN
COC(OC)[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-]	ZINC000234595119	624699017	/nfs/dbraw/zinc/69/90/17/624699017.db2.gz	PIALTXXDRUZMIU-MRVPVSSYSA-N	0	1	304.184	2.252	10	10		DECEMN
Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1	ZINC000120313786	684094846	/nfs/dbraw/zinc/09/48/46/684094846.db2.gz	DQVAXQJXLCNGAH-DOMZBBRYSA-N	0	1	320.433	2.073	10	10		DECEMN
Cc1cc(CN2C[C@@H](C)O[C@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1	ZINC000120313786	684094848	/nfs/dbraw/zinc/09/48/48/684094848.db2.gz	DQVAXQJXLCNGAH-DOMZBBRYSA-N	0	1	320.433	2.073	10	10		DECEMN
Oc1ccccc1CN(C[C@H](O)C(F)(F)F)C[C@H]1CCCO1	ZINC000121591381	402046077	/nfs/dbraw/zinc/04/60/77/402046077.db2.gz	QZOJJBCGIONITE-OCCSQVGLSA-N	0	1	319.323	2.296	10	10		DECEMN
CCOc1ccc(O)c(C[N@H+]2CCN(C[C@H](C)O)[C@H](CC)C2)c1	ZINC000245733088	402483993	/nfs/dbraw/zinc/48/39/93/402483993.db2.gz	KCWBYYWTDVYEPZ-GOEBONIOSA-N	0	1	322.449	2.068	10	10		DECEMN
O=[N+]([O-])c1cc(Cl)cc(CN2CC[N@H+]3CCC[C@@H]3C2)c1[O-]	ZINC000179546893	402594183	/nfs/dbraw/zinc/59/41/83/402594183.db2.gz	XXPXFEKNVNWYRB-GFCCVEGCSA-N	0	1	311.769	2.234	10	10		DECEMN
Cc1cc(Cl)cc(CN2CCc3nn(C)c(=O)cc3C2)c1O	ZINC000180529448	524866935	/nfs/dbraw/zinc/86/69/35/524866935.db2.gz	ZOAHPMAXSWZQIO-UHFFFAOYSA-N	0	1	319.792	2.006	10	10		DECEMN
CCN(CC)c1ccc(CN2CCN(C[C@@H](C)O)CC2)cc1F	ZINC000188725065	625455298	/nfs/dbraw/zinc/45/52/98/625455298.db2.gz	GFBLMADDSXLHJJ-OAHLLOKOSA-N	0	1	323.456	2.170	10	10		DECEMN
[O-]c1c(Br)cccc1CN1CC[N@H+]2CCC[C@H]2C1	ZINC000245871989	685119850	/nfs/dbraw/zinc/11/98/50/685119850.db2.gz	GZEWXLZBZPGVHJ-LBPRGKRZSA-N	0	1	311.223	2.435	10	10		DECEMN
O=C([O-])[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1	ZINC000691413259	954684380	/nfs/dbraw/zinc/68/43/80/954684380.db2.gz	JPEBWHDFABVPMI-VIFPVBQESA-N	0	1	300.152	2.061	10	10		DECEMN
C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(Br)cc2O)C1	ZINC000691414197	976354362	/nfs/dbraw/zinc/35/43/62/976354362.db2.gz	MWCRBHMHCBNLKQ-CYBMUJFWSA-N	0	1	314.179	2.451	10	10		DECEMN
CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCN1C[C@H](C)O	ZINC000245734185	402483967	/nfs/dbraw/zinc/48/39/67/402483967.db2.gz	KHEAUDZXCWFWSV-DOTOQJQBSA-N	0	1	305.466	2.030	10	10		DECEMN
Cc1cc(C)c(O)c(CN2CCO[C@H](Cn3cccn3)C2)c1	ZINC000164384962	646435422	/nfs/dbraw/zinc/43/54/22/646435422.db2.gz	LMZYISKDJVGYKL-INIZCTEOSA-N	0	1	301.390	2.107	10	10		DECEMN
Oc1c(Cl)cccc1CN1CCO[C@@H](Cn2cccn2)C1	ZINC000180128771	526327743	/nfs/dbraw/zinc/32/77/43/526327743.db2.gz	RDCUIXPTFCLTCA-CYBMUJFWSA-N	0	1	307.781	2.143	10	10		DECEMN
[O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@@H](Cn2cccn2)C1	ZINC000180128771	526327748	/nfs/dbraw/zinc/32/77/48/526327748.db2.gz	RDCUIXPTFCLTCA-CYBMUJFWSA-N	0	1	307.781	2.143	10	10		DECEMN
[O-]c1c(Cl)cccc1C[N@H+]1CCO[C@@H](Cn2cccn2)C1	ZINC000180128771	526327755	/nfs/dbraw/zinc/32/77/55/526327755.db2.gz	RDCUIXPTFCLTCA-CYBMUJFWSA-N	0	1	307.781	2.143	10	10		DECEMN
C[C@@H](CC[NH2+]Cc1cc(Br)ccc1[O-])[S@](C)=O	ZINC000133592663	684221202	/nfs/dbraw/zinc/22/12/02/684221202.db2.gz	BDSCKVJDVSQFEO-HUTHGQBESA-N	0	1	320.252	2.401	10	10		DECEMN
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCc3[nH]ncc32)c1	ZINC000136747746	684241227	/nfs/dbraw/zinc/24/12/27/684241227.db2.gz	WHICTBHCTIGBID-PWSUYJOCSA-N	0	1	315.373	2.421	10	10		DECEMN
C[C@@H](CC[NH2+]Cc1c([O-])cccc1Br)[S@@](C)=O	ZINC000706834325	1082283034	/nfs/dbraw/zinc/28/30/34/1082283034.db2.gz	WMJRVOWYHMPZDZ-HUTHGQBESA-N	0	1	320.252	2.401	10	10		DECEMN
CN(C)c1ccc(CNC(=O)[C@@H]2CCCc3[nH]ncc32)cc1F	ZINC000133952779	401897004	/nfs/dbraw/zinc/89/70/04/401897004.db2.gz	NHPOATFPEDIFEQ-GFCCVEGCSA-N	0	1	316.380	2.351	10	10		DECEMN
Cc1cc(C)n(C[C@@H]2CN(Cc3ccccc3O)CCO2)n1	ZINC000179572575	402595350	/nfs/dbraw/zinc/59/53/50/402595350.db2.gz	AYYQFSZFIXNWHC-INIZCTEOSA-N	0	1	301.390	2.107	10	10		DECEMN
Cc1nc([C@@H]2CN(Cc3cc(Cl)cc(C)c3O)CCO2)n[nH]1	ZINC000180612842	402621634	/nfs/dbraw/zinc/62/16/34/402621634.db2.gz	ZFKKDRXIUWARCX-ZDUSSCGKSA-N	0	1	322.796	2.354	10	10		DECEMN
Cc1noc([C@H](C)N2CCN(Cc3cccc(C)c3O)CC2)n1	ZINC000180100778	526660744	/nfs/dbraw/zinc/66/07/44/526660744.db2.gz	PPNQMVXCRDZTMQ-ZDUSSCGKSA-N	0	1	316.405	2.271	10	10		DECEMN
CCN(CC)c1ccc(CN2CCN(CCO)[C@@H](C)C2)cc1F	ZINC000250063994	685189344	/nfs/dbraw/zinc/18/93/44/685189344.db2.gz	NHJJVJQWQDHKLE-HNNXBMFYSA-N	0	1	323.456	2.170	10	10		DECEMN
CC[C@@H]([NH2+]CCNC(C)=O)c1cc(Br)ccc1[O-]	ZINC000020148905	182192514	/nfs/dbraw/zinc/19/25/14/182192514.db2.gz	HKHNDITXYIILOZ-GFCCVEGCSA-N	0	1	315.211	2.332	10	10		DECEMN
COC[C@@](C)(CCO)[NH2+]Cc1cc(Br)ccc1[O-]	ZINC000175852949	402838085	/nfs/dbraw/zinc/83/80/85/402838085.db2.gz	NGPNJQDQKXXOJE-CYBMUJFWSA-N	0	1	318.211	2.032	10	10		DECEMN
O=C1CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CCN1	ZINC000054454052	640446320	/nfs/dbraw/zinc/44/63/20/640446320.db2.gz	CZHRBWSAGJAYQG-UHFFFAOYSA-N	0	1	314.385	2.339	10	10		DECEMN
O=C1CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CCN1	ZINC000054454052	640446322	/nfs/dbraw/zinc/44/63/22/640446322.db2.gz	CZHRBWSAGJAYQG-UHFFFAOYSA-N	0	1	314.385	2.339	10	10		DECEMN
CNC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000398461463	790276184	/nfs/dbraw/zinc/27/61/84/790276184.db2.gz	JHMGSVNIQNLRHQ-MRVPVSSYSA-N	0	1	303.189	2.267	10	10		DECEMN
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(OC)ccc1O	ZINC000248798763	533089850	/nfs/dbraw/zinc/08/98/50/533089850.db2.gz	FSGQXYFAPGJWBM-PJODQICGSA-N	0	1	305.374	2.174	10	10		DECEMN
COc1ccc(O)c([C@@H](C)N[C@H]2CCCn3nc(C)nc32)c1	ZINC000186096518	402400767	/nfs/dbraw/zinc/40/07/67/402400767.db2.gz	UURFUIJGDMFCEE-YGRLFVJLSA-N	0	1	302.378	2.486	10	10		DECEMN
C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1N1CCOCC1	ZINC000180229293	402610418	/nfs/dbraw/zinc/61/04/18/402610418.db2.gz	OKNIEBWILAWNLX-WFASDCNBSA-N	0	1	310.825	2.198	10	10		DECEMN
C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1N1CCOCC1	ZINC000180229293	402610421	/nfs/dbraw/zinc/61/04/21/402610421.db2.gz	OKNIEBWILAWNLX-WFASDCNBSA-N	0	1	310.825	2.198	10	10		DECEMN
O=C1CS[C@H](c2ccccc2O)N1c1n[nH]c2ncccc21	ZINC000584653190	337381116	/nfs/dbraw/zinc/38/11/16/337381116.db2.gz	LRJWBYHUGMKVAW-OAHLLOKOSA-N	0	1	312.354	2.442	10	10		DECEMN
CC(=O)c1cc(F)cc(CN2CCC(C(=O)N(C)C)CC2)c1O	ZINC000079385799	185167887	/nfs/dbraw/zinc/16/78/87/185167887.db2.gz	WQPDUOAYIOKPST-UHFFFAOYSA-N	0	1	322.380	2.034	10	10		DECEMN
C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1N1CCOCC1	ZINC000180229273	402610492	/nfs/dbraw/zinc/61/04/92/402610492.db2.gz	OKNIEBWILAWNLX-DOMZBBRYSA-N	0	1	310.825	2.198	10	10		DECEMN
C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1N1CCOCC1	ZINC000180229273	402610493	/nfs/dbraw/zinc/61/04/93/402610493.db2.gz	OKNIEBWILAWNLX-DOMZBBRYSA-N	0	1	310.825	2.198	10	10		DECEMN
O=C([O-])[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1	ZINC000236440158	625127336	/nfs/dbraw/zinc/12/73/36/625127336.db2.gz	WEWASYLSPSCZMO-SECBINFHSA-N	0	1	314.179	2.451	10	10		DECEMN
CCOCC[N@H+]1CCN(Cc2cccc(OCC)c2O)C[C@@H]1C	ZINC000120879932	684102374	/nfs/dbraw/zinc/10/23/74/684102374.db2.gz	QKQASLOIRUIZTG-HNNXBMFYSA-N	0	1	322.449	2.334	10	10		DECEMN
Cc1ccc(O)c(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)c1	ZINC000121589959	402045261	/nfs/dbraw/zinc/04/52/61/402045261.db2.gz	FEBFJKSXZDJVOL-UHFFFAOYSA-N	0	1	314.433	2.142	10	10		DECEMN
CC(=O)c1cc(F)cc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1[O-]	ZINC000175672754	402824548	/nfs/dbraw/zinc/82/45/48/402824548.db2.gz	YNMUBHRKNHGFAH-IAQYHMDHSA-N	0	1	306.381	2.402	10	10		DECEMN
CC(=O)c1cc(F)cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1[O-]	ZINC000175672754	402824551	/nfs/dbraw/zinc/82/45/51/402824551.db2.gz	YNMUBHRKNHGFAH-IAQYHMDHSA-N	0	1	306.381	2.402	10	10		DECEMN
COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(OC)ccc1O	ZINC000248798767	533087625	/nfs/dbraw/zinc/08/76/25/533087625.db2.gz	FSGQXYFAPGJWBM-WPGHFRTFSA-N	0	1	305.374	2.174	10	10		DECEMN
O=[N+]([O-])c1cc(Cl)cc(CN2CC[N@H+]3CCC[C@H]3C2)c1[O-]	ZINC000245801815	225223087	/nfs/dbraw/zinc/22/30/87/225223087.db2.gz	XXPXFEKNVNWYRB-LBPRGKRZSA-N	0	1	311.769	2.234	10	10		DECEMN
COc1cc(O)c(CN2CCC[C@H]2c2cnn(C)c2)cc1OC	ZINC000160132564	522775212	/nfs/dbraw/zinc/77/52/12/522775212.db2.gz	ZXZPOPJVOUDRAU-AWEZNQCLSA-N	0	1	317.389	2.480	10	10		DECEMN
CN(C)Cc1cc(CNC(=O)c2cccc(O)c2O)ccc1F	ZINC000187097497	636992835	/nfs/dbraw/zinc/99/28/35/636992835.db2.gz	QALVYWWBHXNEQP-UHFFFAOYSA-N	0	1	318.348	2.229	10	10		DECEMN
CS(=O)(=O)CC1(CC[NH2+]Cc2cc(Cl)ccc2[O-])CC1	ZINC000710330324	1086688172	/nfs/dbraw/zinc/68/81/72/1086688172.db2.gz	SKMIGVNSUJPRMG-UHFFFAOYSA-N	0	1	317.838	2.350	10	10		DECEMN
COc1cccc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1O	ZINC000092096771	402001803	/nfs/dbraw/zinc/00/18/03/402001803.db2.gz	KQTODKKALIIWHI-QLFBSQMISA-N	0	1	307.390	2.169	10	10		DECEMN
Cc1cnn(C[C@H]2CN(Cc3cc(C)ccc3O)CCO2)c1	ZINC000122478299	402080662	/nfs/dbraw/zinc/08/06/62/402080662.db2.gz	BBLBJXYLHZCZLM-MRXNPFEDSA-N	0	1	301.390	2.107	10	10		DECEMN
Cc1cc(O)c(CN2CCO[C@H](Cn3cccn3)C2)cc1C	ZINC000152798128	402109784	/nfs/dbraw/zinc/10/97/84/402109784.db2.gz	HGIDYCZRGWJCRZ-INIZCTEOSA-N	0	1	301.390	2.107	10	10		DECEMN
CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1[O-]	ZINC000129067305	684175790	/nfs/dbraw/zinc/17/57/90/684175790.db2.gz	BNKKLBHHNBLZBR-MWLCHTKSSA-N	0	1	324.808	2.334	10	10		DECEMN
CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1[O-]	ZINC000129067305	684175791	/nfs/dbraw/zinc/17/57/91/684175791.db2.gz	BNKKLBHHNBLZBR-MWLCHTKSSA-N	0	1	324.808	2.334	10	10		DECEMN
COc1cc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c(O)cc1C	ZINC000245541727	685114094	/nfs/dbraw/zinc/11/40/94/685114094.db2.gz	OSNVODYXSFJEPB-BFYDXBDKSA-N	0	1	321.417	2.478	10	10		DECEMN
CN(C)c1ccc(CNC(=O)c2cnccc2N(C)C)cc1F	ZINC000183473408	402770230	/nfs/dbraw/zinc/77/02/30/402770230.db2.gz	KPXVTCHHRLNWKH-UHFFFAOYSA-N	0	1	316.380	2.283	10	10		DECEMN
Cc1cc(C)n(C[C@@H]2CN(Cc3cccc(C)c3O)CCO2)n1	ZINC000180130411	524532951	/nfs/dbraw/zinc/53/29/51/524532951.db2.gz	OXTDTXPPXGCGGD-KRWDZBQOSA-N	0	1	315.417	2.415	10	10		DECEMN
Oc1cc2c(cc1CN1CCO[C@@]3(CCOC3)C1)CCCC2	ZINC000184268141	649252212	/nfs/dbraw/zinc/25/22/12/649252212.db2.gz	CLEACEXRPBDURP-SFHVURJKSA-N	0	1	303.402	2.262	10	10		DECEMN
COc1cc(CN2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c(O)cc1C	ZINC000245541733	685114220	/nfs/dbraw/zinc/11/42/20/685114220.db2.gz	OSNVODYXSFJEPB-ZMSDIMECSA-N	0	1	321.417	2.478	10	10		DECEMN
Cn1cc([C@H]2CCCN2Cc2cc3c(cc2O)OCO3)cn1	ZINC000171361383	402580735	/nfs/dbraw/zinc/58/07/35/402580735.db2.gz	MJUFWJYZSJSXLK-CYBMUJFWSA-N	0	1	301.346	2.192	10	10		DECEMN
COc1cc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c(O)cc1C	ZINC000160496938	623878572	/nfs/dbraw/zinc/87/85/72/623878572.db2.gz	OSNVODYXSFJEPB-HLLBOEOZSA-N	0	1	321.417	2.478	10	10		DECEMN
Cc1n[nH]c(C(C)C)c1C(=O)NCCc1ccc(O)c(O)c1	ZINC000159818830	684321687	/nfs/dbraw/zinc/32/16/87/684321687.db2.gz	WUHJHHWQSFRJEL-UHFFFAOYSA-N	0	1	303.362	2.225	10	10		DECEMN
O=S1(=O)CCC[C@H]1CC[NH2+]Cc1cc(Cl)ccc1[O-]	ZINC000714334788	792308477	/nfs/dbraw/zinc/30/84/77/792308477.db2.gz	LHKOZBLAVIBEFX-LBPRGKRZSA-N	0	1	303.811	2.103	10	10		DECEMN
O=C1N=C(N2CCN3CCC[C@H]3C2)S/C1=C\c1ccccc1	ZINC000254766121	402671672	/nfs/dbraw/zinc/67/16/72/402671672.db2.gz	YQRSFQXYLCBEBA-XFNCEPBJSA-N	0	1	313.426	2.437	10	10		DECEMN
CC[C@H](O)CN1CCN(Cc2cc(Cl)cc(C)c2O)CC1	ZINC000180164338	522816254	/nfs/dbraw/zinc/81/62/54/522816254.db2.gz	FRJTXTPFZQMMPC-HNNXBMFYSA-N	0	1	312.841	2.243	10	10		DECEMN
CCN(CC)c1ccc(CN2CCN3CCOC[C@H]3C2)cc1	ZINC000375235716	528298859	/nfs/dbraw/zinc/29/88/59/528298859.db2.gz	BVCMWFYNAPNFRO-GOSISDBHSA-N	0	1	303.450	2.049	10	10		DECEMN
COC(=O)[C@]1(C)CCCN1Cc1ccc(N2CCOCC2)cc1	ZINC000189986567	684394031	/nfs/dbraw/zinc/39/40/31/684394031.db2.gz	BEBYIMKMTIDPGP-SFHVURJKSA-N	0	1	318.417	2.051	10	10		DECEMN
c1c(CNCc2ccc(N3CCOCC3)cc2)nc2ccccn12	ZINC000072726586	1080160713	/nfs/dbraw/zinc/16/07/13/1080160713.db2.gz	NXVCIDYDQOMFPD-UHFFFAOYSA-N	0	1	322.412	2.461	10	10		DECEMN
CN(C)CCNc1ccc(O)c2c1C(=O)c1ccccc1C2=O	ZINC000005140450	181208621	/nfs/dbraw/zinc/20/86/21/181208621.db2.gz	PGENGIVCMXXOPD-UHFFFAOYSA-N	0	1	310.353	2.141	10	10		DECEMN
CCc1nc([C@@H]2CN(Cc3cc(Cl)ccc3O)CCO2)n[nH]1	ZINC000129083037	401798434	/nfs/dbraw/zinc/79/84/34/401798434.db2.gz	SOISQZYGTJISGU-ZDUSSCGKSA-N	0	1	322.796	2.300	10	10		DECEMN
Cc1nc([C@@H]2CN(Cc3cc(Cl)ccc3O)CCO2)n[nH]1	ZINC000180110231	402607508	/nfs/dbraw/zinc/60/75/08/402607508.db2.gz	KHBOOXOZEVNZSI-ZDUSSCGKSA-N	0	1	308.769	2.046	10	10		DECEMN
COc1ccc(O)c(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1	ZINC000180779599	402625771	/nfs/dbraw/zinc/62/57/71/402625771.db2.gz	NLCVOJLUEKINDK-HLLBOEOZSA-N	0	1	307.390	2.169	10	10		DECEMN
COc1ccc(O)c([C@@H](C)N[C@@H]2CCCn3nc(C)nc32)c1	ZINC000186096536	277917920	/nfs/dbraw/zinc/91/79/20/277917920.db2.gz	UURFUIJGDMFCEE-QMTHXVAHSA-N	0	1	302.378	2.486	10	10		DECEMN
CCCN(Cc1cc2c(cc1O)CCC2)[C@H]1CCS(=O)(=O)C1	ZINC000073342790	633053667	/nfs/dbraw/zinc/05/36/67/633053667.db2.gz	OUXOZBGVUCNLKQ-INIZCTEOSA-N	0	1	323.458	2.280	10	10		DECEMN
Cc1cnn(C[C@H]2CN(Cc3cc(C)cc(C)c3O)CCO2)c1	ZINC000164323980	646434689	/nfs/dbraw/zinc/43/46/89/646434689.db2.gz	LWEKHHBYFFHAEF-QGZVFWFLSA-N	0	1	315.417	2.415	10	10		DECEMN
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCc3[nH]ncc32)c1	ZINC000136747714	684241344	/nfs/dbraw/zinc/24/13/44/684241344.db2.gz	WHICTBHCTIGBID-JQWIXIFHSA-N	0	1	315.373	2.421	10	10		DECEMN
COC(OC)[C@H](C)[NH2+]Cc1c([O-])cccc1Br	ZINC000706804233	1086651136	/nfs/dbraw/zinc/65/11/36/1086651136.db2.gz	DZKKRXUHMAFLIY-QMMMGPOBSA-N	0	1	304.184	2.252	10	10		DECEMN
COCC[C@@H](COC)[NH2+]Cc1c([O-])cccc1Br	ZINC000706842351	1086653325	/nfs/dbraw/zinc/65/33/25/1086653325.db2.gz	AVKMSIPCZUEJEU-JTQLQIEISA-N	0	1	318.211	2.296	10	10		DECEMN
CN(C)c1ccc(CNC(=O)[C@H]2CCCc3[nH]ncc32)cc1F	ZINC000133953000	401896750	/nfs/dbraw/zinc/89/67/50/401896750.db2.gz	NHPOATFPEDIFEQ-LBPRGKRZSA-N	0	1	316.380	2.351	10	10		DECEMN
CCOCC[N@H+]1CCN(Cc2cc(C)cc(OC)c2O)C[C@@H]1C	ZINC000164341353	646434740	/nfs/dbraw/zinc/43/47/40/646434740.db2.gz	QENUMRVXQSQWRQ-HNNXBMFYSA-N	0	1	322.449	2.252	10	10		DECEMN
C[C@@H](C[N@@H+](C)Cc1ccc(Br)cc1O)C(=O)[O-]	ZINC000691438109	976354936	/nfs/dbraw/zinc/35/49/36/976354936.db2.gz	VILQFISLBWTLEX-QMMMGPOBSA-N	0	1	302.168	2.307	10	10		DECEMN
COC[C@@H](CC[NH2+]Cc1ccc(Br)cc1[O-])OC	ZINC000701043335	1086348169	/nfs/dbraw/zinc/34/81/69/1086348169.db2.gz	LDJWGYPFFKQSBC-GFCCVEGCSA-N	0	1	318.211	2.296	10	10		DECEMN
COCC[C@H](COC)[NH2+]Cc1c([O-])cccc1Br	ZINC000706842352	1086653897	/nfs/dbraw/zinc/65/38/97/1086653897.db2.gz	AVKMSIPCZUEJEU-SNVBAGLBSA-N	0	1	318.211	2.296	10	10		DECEMN
CCn1cc([C@@H]2CN(Cc3cc(C)ccc3O)CCO2)cn1	ZINC000191700645	523467574	/nfs/dbraw/zinc/46/75/74/523467574.db2.gz	WWBPNZAQUYOBRE-KRWDZBQOSA-N	0	1	301.390	2.491	10	10		DECEMN
CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c1[O-]	ZINC000129066887	684175667	/nfs/dbraw/zinc/17/56/67/684175667.db2.gz	BNKKLBHHNBLZBR-KOLCDFICSA-N	0	1	324.808	2.334	10	10		DECEMN
CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c1[O-]	ZINC000129066887	684175669	/nfs/dbraw/zinc/17/56/69/684175669.db2.gz	BNKKLBHHNBLZBR-KOLCDFICSA-N	0	1	324.808	2.334	10	10		DECEMN
[O-]c1ccc(Br)cc1C[NH2+][C@H](CO)C1CCC1	ZINC000717602557	799426933	/nfs/dbraw/zinc/42/69/33/799426933.db2.gz	CLTAQZLDTSYZMM-GFCCVEGCSA-N	0	1	300.196	2.405	10	10		DECEMN
O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1cccc(O)c1	ZINC000000089142	401687960	/nfs/dbraw/zinc/68/79/60/401687960.db2.gz	UVSLSWVQZRLISI-UVTDQMKNSA-N	0	1	314.341	2.187	10	10		DECEMN
Cc1cc(C)n(C[C@@H]2CN(Cc3cc(C)ccc3O)CCO2)n1	ZINC000122634151	402088401	/nfs/dbraw/zinc/08/84/01/402088401.db2.gz	KMZXLPDHHQIJRU-KRWDZBQOSA-N	0	1	315.417	2.415	10	10		DECEMN
CCc1nnc([C@@H]2CN(Cc3cc(C)c(C)cc3O)CCO2)[nH]1	ZINC000129184070	522139549	/nfs/dbraw/zinc/13/95/49/522139549.db2.gz	MFWKWPLYNPYMEX-HNNXBMFYSA-N	0	1	316.405	2.263	10	10		DECEMN
CN(C)c1ccc(CN(C)C(=O)c2cnccc2N(C)C)cc1	ZINC000183483556	522169377	/nfs/dbraw/zinc/16/93/77/522169377.db2.gz	PLYXLJPIMMEVLK-UHFFFAOYSA-N	0	1	312.417	2.486	10	10		DECEMN
CCn1cc([C@H]2CN(Cc3cccc(C)c3O)CCO2)cn1	ZINC000191695614	523483162	/nfs/dbraw/zinc/48/31/62/523483162.db2.gz	OBYBEDOPHKWNGT-MRXNPFEDSA-N	0	1	301.390	2.491	10	10		DECEMN
Cc1cnn(C[C@H]2CN(Cc3cccc(C)c3O)CCO2)c1	ZINC000180129340	526264997	/nfs/dbraw/zinc/26/49/97/526264997.db2.gz	QYQLVLYSIXARFJ-MRXNPFEDSA-N	0	1	301.390	2.107	10	10		DECEMN
COC(OC)[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-]	ZINC000234595122	624698905	/nfs/dbraw/zinc/69/89/05/624698905.db2.gz	PIALTXXDRUZMIU-QMMMGPOBSA-N	0	1	304.184	2.252	10	10		DECEMN
CC1(C)OC[C@H](C[NH2+]Cc2cc(Br)ccc2[O-])O1	ZINC000232821477	635936771	/nfs/dbraw/zinc/93/67/71/635936771.db2.gz	IMUTYVPSWMYLKJ-NSHDSACASA-N	0	1	316.195	2.396	10	10		DECEMN
CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Br)ccc1O	ZINC000234057039	635956304	/nfs/dbraw/zinc/95/63/04/635956304.db2.gz	RJEHUFCERHCQQE-JTQLQIEISA-N	0	1	302.168	2.450	10	10		DECEMN
COc1cc(CN2CC[C@](O)(C(F)(F)F)C2)c(O)cc1C	ZINC000191432538	684428174	/nfs/dbraw/zinc/42/81/74/684428174.db2.gz	ZSQGOZCOEJQUEQ-CYBMUJFWSA-N	0	1	305.296	2.208	10	10		DECEMN
O=C([O-])C[N@@H+](Cc1ccc(Br)cc1O)CC1CC1	ZINC000691415268	954684482	/nfs/dbraw/zinc/68/44/82/954684482.db2.gz	RSXQBMOGGUCTAC-UHFFFAOYSA-N	0	1	314.179	2.451	10	10		DECEMN
CC[N@@H+](CCC(=O)[O-])Cc1ccc(Br)cc1O	ZINC000691416142	976355822	/nfs/dbraw/zinc/35/58/22/976355822.db2.gz	WOPZLCJIMSJZKJ-UHFFFAOYSA-N	0	1	302.168	2.451	10	10		DECEMN
CC1(C)CC[N@H+](Cc2ccc(F)c(F)c2[O-])CC[S@]1=O	ZINC000703437314	1086499721	/nfs/dbraw/zinc/49/97/21/1086499721.db2.gz	LGXRRAXLYZIIBV-HXUWFJFHSA-N	0	1	303.374	2.403	10	10		DECEMN
CC1(C)CC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC[S@]1=O	ZINC000703437314	1086499725	/nfs/dbraw/zinc/49/97/25/1086499725.db2.gz	LGXRRAXLYZIIBV-HXUWFJFHSA-N	0	1	303.374	2.403	10	10		DECEMN
Cc1noc(CC[NH2+]Cc2cc(Br)ccc2[O-])n1	ZINC000105469486	194105682	/nfs/dbraw/zinc/10/56/82/194105682.db2.gz	BTYYIYGBZSKTCE-UHFFFAOYSA-N	0	1	312.167	2.178	10	10		DECEMN
CCOc1cccc(C[N@@H+]2CCN(C[C@@H](C)O)[C@@H](CC)C2)c1O	ZINC000120714780	401999792	/nfs/dbraw/zinc/99/97/92/401999792.db2.gz	OLGATDQDDXFZKE-ZBFHGGJFSA-N	0	1	322.449	2.068	10	10		DECEMN
Cc1nc([C@H](NC(=O)c2cccc(O)c2O)c2ccccc2)n[nH]1	ZINC000193014148	225148863	/nfs/dbraw/zinc/14/88/63/225148863.db2.gz	UYZRFRGXSWPKDL-CQSZACIVSA-N	0	1	324.340	2.044	10	10		DECEMN
COc1ccc(O)c([C@H](C)N[C@H]2CCCn3nc(C)nc32)c1	ZINC000186096486	402400958	/nfs/dbraw/zinc/40/09/58/402400958.db2.gz	UURFUIJGDMFCEE-HZMBPMFUSA-N	0	1	302.378	2.486	10	10		DECEMN
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(OC)ccc1O	ZINC000248798758	277374080	/nfs/dbraw/zinc/37/40/80/277374080.db2.gz	FSGQXYFAPGJWBM-PEYYIBSZSA-N	0	1	305.374	2.174	10	10		DECEMN
CC[N@@H+](CC(=O)[O-])C1CC(NCc2ccc(OC)c(C)c2)C1	ZINC000263494084	527933870	/nfs/dbraw/zinc/93/38/70/527933870.db2.gz	JFCNEPVLHHGMDC-UHFFFAOYSA-N	0	1	306.406	2.031	10	10		DECEMN
[O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCC[C@H]1O	ZINC000230702447	646745133	/nfs/dbraw/zinc/74/51/33/646745133.db2.gz	RZILEDSJANPKCT-BXKDBHETSA-N	0	1	300.196	2.405	10	10		DECEMN
C[C@H](CC[NH2+]Cc1cc(Br)ccc1[O-])[S@](C)=O	ZINC000133592871	684221209	/nfs/dbraw/zinc/22/12/09/684221209.db2.gz	BDSCKVJDVSQFEO-VVVCHXIZSA-N	0	1	320.252	2.401	10	10		DECEMN
CCOc1cccc(C[N@@H+]2CCN(C[C@@H](C)O)[C@H](CC)C2)c1O	ZINC000120714608	401999642	/nfs/dbraw/zinc/99/96/42/401999642.db2.gz	OLGATDQDDXFZKE-GDBMZVCRSA-N	0	1	322.449	2.068	10	10		DECEMN
Cc1cc(C)n(C[C@H]2CN(Cc3cc(C)ccc3O)CCO2)n1	ZINC000122634397	402088476	/nfs/dbraw/zinc/08/84/76/402088476.db2.gz	KMZXLPDHHQIJRU-QGZVFWFLSA-N	0	1	315.417	2.415	10	10		DECEMN
CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1	ZINC000057646506	634802390	/nfs/dbraw/zinc/80/23/90/634802390.db2.gz	QRCRTXNZNDARNA-AWEZNQCLSA-N	0	1	322.428	2.175	10	10		DECEMN
Oc1cc2c(cc1CN1CCO[C@@H]([C@@H]3CCCO3)C1)CCC2	ZINC000151115887	646270919	/nfs/dbraw/zinc/27/09/19/646270919.db2.gz	HACKOIUOWKBDDW-ZWKOTPCHSA-N	0	1	303.402	2.261	10	10		DECEMN
O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1c([O-])cccc1Cl	ZINC000714334069	792308691	/nfs/dbraw/zinc/30/86/91/792308691.db2.gz	CZEZKUWAOQSTMS-SNVBAGLBSA-N	0	1	303.811	2.103	10	10		DECEMN
CCC[N@@H+](CC(=O)[O-])Cc1ccc(Br)cc1O	ZINC000691415382	968906919	/nfs/dbraw/zinc/90/69/19/968906919.db2.gz	SKTPZTUGGKGYCU-UHFFFAOYSA-N	0	1	302.168	2.451	10	10		DECEMN
C[C@H](CC[NH2+]Cc1c([O-])cccc1Br)[S@@](C)=O	ZINC000706834326	1082282879	/nfs/dbraw/zinc/28/28/79/1082282879.db2.gz	WMJRVOWYHMPZDZ-VVVCHXIZSA-N	0	1	320.252	2.401	10	10		DECEMN
COC(OC)[C@@H](C)[NH2+]Cc1c([O-])cccc1Br	ZINC000706804232	1086650832	/nfs/dbraw/zinc/65/08/32/1086650832.db2.gz	DZKKRXUHMAFLIY-MRVPVSSYSA-N	0	1	304.184	2.252	10	10		DECEMN
CCCC(=O)N[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	ZINC000101539036	402146601	/nfs/dbraw/zinc/14/66/01/402146601.db2.gz	OQXGIRFMQXJODS-CYBMUJFWSA-N	0	1	320.389	2.002	10	10		DECEMN
COC(=O)/C(C)=C\CN1CCCN(c2ccc(OC)cc2)CC1	ZINC000748812755	638593801	/nfs/dbraw/zinc/59/38/01/638593801.db2.gz	FZWICQQPZGNHAR-DHDCSXOGSA-N	0	1	318.417	2.327	10	10		DECEMN
C[C@@H](CC[NH2+]Cc1cc(Br)ccc1[O-])[S@@](C)=O	ZINC000133593059	684221313	/nfs/dbraw/zinc/22/13/13/684221313.db2.gz	BDSCKVJDVSQFEO-XYZCENFISA-N	0	1	320.252	2.401	10	10		DECEMN
CNC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000398461466	790276423	/nfs/dbraw/zinc/27/64/23/790276423.db2.gz	JHMGSVNIQNLRHQ-QMMMGPOBSA-N	0	1	303.189	2.267	10	10		DECEMN
C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)C[C@H]1C(=O)[O-]	ZINC000691412059	976355482	/nfs/dbraw/zinc/35/54/82/976355482.db2.gz	CIAGDYZTWDWBJV-LDYMZIIASA-N	0	1	314.179	2.307	10	10		DECEMN
Cc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1	ZINC000006190035	181318237	/nfs/dbraw/zinc/31/82/37/181318237.db2.gz	QZAQNPUAIWDXIZ-ZROIWOOFSA-N	0	1	310.309	2.250	10	10		DECEMN
Cc1cnn(C[C@H]2CN(Cc3cc(C)c(C)cc3O)CCO2)c1	ZINC000112072107	401730216	/nfs/dbraw/zinc/73/02/16/401730216.db2.gz	VQVCDFGDIRJMAM-QGZVFWFLSA-N	0	1	315.417	2.415	10	10		DECEMN
CC[C@H]1CN(Cc2cccc(Cl)c2[O-])CC[N@H+]1C[C@@H](C)O	ZINC000180085587	523290909	/nfs/dbraw/zinc/29/09/09/523290909.db2.gz	NWADKQVKXVKZBU-OCCSQVGLSA-N	0	1	312.841	2.323	10	10		DECEMN
Cn1cnc(CC[NH2+]Cc2cc(Br)ccc2[O-])c1	ZINC000313279217	647133439	/nfs/dbraw/zinc/13/34/39/647133439.db2.gz	CCGOEXYHFJJJTL-UHFFFAOYSA-N	0	1	310.195	2.221	10	10		DECEMN
Cc1cccn2cc(CNCc3cc4c(cc3O)OCO4)nc12	ZINC000124015073	684130519	/nfs/dbraw/zinc/13/05/19/684130519.db2.gz	CSHGVGJMJYGTPB-UHFFFAOYSA-N	0	1	311.341	2.367	10	10		DECEMN
CN(C)c1ccc(CNC(=O)N2CCN3CCCC[C@@H]3C2)cc1	ZINC000195223545	685091440	/nfs/dbraw/zinc/09/14/40/685091440.db2.gz	MKRKNBNVJOCZQX-QGZVFWFLSA-N	0	1	316.449	2.132	10	10		DECEMN
O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1O	ZINC000691412007	976355127	/nfs/dbraw/zinc/35/51/27/976355127.db2.gz	BMQGHEGNSUGWDH-JTQLQIEISA-N	0	1	300.152	2.204	10	10		DECEMN
O=C([O-])[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1O	ZINC000691412007	976355139	/nfs/dbraw/zinc/35/51/39/976355139.db2.gz	BMQGHEGNSUGWDH-JTQLQIEISA-N	0	1	300.152	2.204	10	10		DECEMN
COc1cccc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1O	ZINC000246127357	533483792	/nfs/dbraw/zinc/48/37/92/533483792.db2.gz	KQTODKKALIIWHI-RBSFLKMASA-N	0	1	307.390	2.169	10	10		DECEMN
CCOc1ccc(O)c(C[N@H+]2CCN(C[C@H](C)O)[C@@H](CC)C2)c1	ZINC000245733093	402484290	/nfs/dbraw/zinc/48/42/90/402484290.db2.gz	KCWBYYWTDVYEPZ-HOCLYGCPSA-N	0	1	322.449	2.068	10	10		DECEMN
CCc1noc([C@H](C)N2CCN(Cc3ccccc3O)CC2)n1	ZINC000179572131	402595070	/nfs/dbraw/zinc/59/50/70/402595070.db2.gz	YALPCUJVMLEXTJ-ZDUSSCGKSA-N	0	1	316.405	2.216	10	10		DECEMN
COc1ccc(O)c([C@@H](C)NC(=O)c2cnccc2N(C)C)c1	ZINC000183976444	649214595	/nfs/dbraw/zinc/21/45/95/649214595.db2.gz	FQQSFJGMRGUUOT-LLVKDONJSA-N	0	1	315.373	2.353	10	10		DECEMN
Cc1ncc(CN2CCN(Cc3ccccc3O)CC2)s1	ZINC000179571470	402595390	/nfs/dbraw/zinc/59/53/90/402595390.db2.gz	JQWKBKNHRDXIRI-UHFFFAOYSA-N	0	1	303.431	2.475	10	10		DECEMN
C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1N1CCOCC1	ZINC000245949781	225223545	/nfs/dbraw/zinc/22/35/45/225223545.db2.gz	WRWHWYVXNWEGBY-IUODEOHRSA-N	0	1	310.825	2.198	10	10		DECEMN
c1cc(N2CCOCC2)ccc1CN1CCO[C@@H](C2CC2)C1	ZINC000368878641	534471242	/nfs/dbraw/zinc/47/12/42/534471242.db2.gz	DGLNNXPACKMLID-GOSISDBHSA-N	0	1	302.418	2.134	10	10		DECEMN
Cc1cnn(C[C@H]2CN(Cc3cccc(Cl)c3O)CCO2)c1	ZINC000180129995	526265024	/nfs/dbraw/zinc/26/50/24/526265024.db2.gz	CAJLPJBITFMBGC-CQSZACIVSA-N	0	1	321.808	2.452	10	10		DECEMN
Cc1cnn(C[C@H]2C[N@H+](Cc3cccc(Cl)c3[O-])CCO2)c1	ZINC000180129995	526265027	/nfs/dbraw/zinc/26/50/27/526265027.db2.gz	CAJLPJBITFMBGC-CQSZACIVSA-N	0	1	321.808	2.452	10	10		DECEMN
Cc1cnn(C[C@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CCO2)c1	ZINC000180129995	526265030	/nfs/dbraw/zinc/26/50/30/526265030.db2.gz	CAJLPJBITFMBGC-CQSZACIVSA-N	0	1	321.808	2.452	10	10		DECEMN
COc1cc(CN2CCNC(=O)CC2)c(O)c(C(C)(C)C)c1	ZINC000164284073	646433582	/nfs/dbraw/zinc/43/35/82/646433582.db2.gz	KXEGQJHKOFTVFB-UHFFFAOYSA-N	0	1	306.406	2.020	10	10		DECEMN
CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1[O-]	ZINC000129067552	684175708	/nfs/dbraw/zinc/17/57/08/684175708.db2.gz	BNKKLBHHNBLZBR-GXSJLCMTSA-N	0	1	324.808	2.334	10	10		DECEMN
CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1[O-]	ZINC000129067552	684175710	/nfs/dbraw/zinc/17/57/10/684175710.db2.gz	BNKKLBHHNBLZBR-GXSJLCMTSA-N	0	1	324.808	2.334	10	10		DECEMN
C[N@@H+](Cc1cccc(Cl)c1[O-])CC(C)(C)S(C)(=O)=O	ZINC000713908592	792248731	/nfs/dbraw/zinc/24/87/31/792248731.db2.gz	BWLYWUMIDRXTIM-UHFFFAOYSA-N	0	1	305.827	2.301	10	10		DECEMN
[O-]c1cc(Br)ccc1C[NH2+][C@H](CO)C1CCC1	ZINC000717602986	799427048	/nfs/dbraw/zinc/42/70/48/799427048.db2.gz	FBTSYAOLEOOBCS-GFCCVEGCSA-N	0	1	300.196	2.405	10	10		DECEMN
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cccc(OC)c1O	ZINC000248837171	533083012	/nfs/dbraw/zinc/08/30/12/533083012.db2.gz	MUBPNCNCBHLRQM-LNSITVRQSA-N	0	1	305.374	2.174	10	10		DECEMN
COC(=O)/C(C)=C/CN1CCCN(c2ccc(OC)cc2)CC1	ZINC000748812756	638593575	/nfs/dbraw/zinc/59/35/75/638593575.db2.gz	FZWICQQPZGNHAR-OQLLNIDSSA-N	0	1	318.417	2.327	10	10		DECEMN
CC(C)(C)N1C(=O)NC(=O)/C(=C/c2c[nH]c3ccccc23)C1=O	ZINC000005641548	181267516	/nfs/dbraw/zinc/26/75/16/181267516.db2.gz	JTBSTMPPMLOUSX-WQLSENKSSA-N	0	1	311.341	2.428	10	10		DECEMN
Oc1ccccc1CN(C[C@H](O)C(F)(F)F)C[C@@H]1CCCO1	ZINC000121591153	402046045	/nfs/dbraw/zinc/04/60/45/402046045.db2.gz	QZOJJBCGIONITE-JSGCOSHPSA-N	0	1	319.323	2.296	10	10		DECEMN
CC[C@@H]1CN(Cc2cccc(Cl)c2[O-])CC[N@H+]1C[C@@H](C)O	ZINC000180085569	523451515	/nfs/dbraw/zinc/45/15/15/523451515.db2.gz	NWADKQVKXVKZBU-TZMCWYRMSA-N	0	1	312.841	2.323	10	10		DECEMN
O=C([O-])C[N@@H+](Cc1cc(Br)ccc1O)CC1CC1	ZINC000236420574	635986968	/nfs/dbraw/zinc/98/69/68/635986968.db2.gz	ANPJFYDYAQOTOQ-UHFFFAOYSA-N	0	1	314.179	2.451	10	10		DECEMN
[O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCN2CCOC[C@H]2C1	ZINC000375239602	404719864	/nfs/dbraw/zinc/71/98/64/404719864.db2.gz	VDJPCJKGSVMMAQ-GFCCVEGCSA-N	0	1	317.216	2.215	10	10		DECEMN
[O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCN2CCOC[C@H]2C1	ZINC000375239602	404719868	/nfs/dbraw/zinc/71/98/68/404719868.db2.gz	VDJPCJKGSVMMAQ-GFCCVEGCSA-N	0	1	317.216	2.215	10	10		DECEMN
COc1ccc(O)c([C@H](C)NC(=O)c2cnccc2N(C)C)c1	ZINC000183976427	649214440	/nfs/dbraw/zinc/21/44/40/649214440.db2.gz	FQQSFJGMRGUUOT-NSHDSACASA-N	0	1	315.373	2.353	10	10		DECEMN
CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000133590553	401891678	/nfs/dbraw/zinc/89/16/78/401891678.db2.gz	ARUQRWICXMUTMO-NSHDSACASA-N	0	1	303.189	2.409	10	10		DECEMN
Oc1cc2c(cc1CN1CCO[C@H]([C@H]3CCCO3)C1)CCC2	ZINC000246180989	685125340	/nfs/dbraw/zinc/12/53/40/685125340.db2.gz	HACKOIUOWKBDDW-MSOLQXFVSA-N	0	1	303.402	2.261	10	10		DECEMN
Cn1cnc(CC[NH2+]Cc2c([O-])cccc2Br)c1	ZINC000706831674	1086652593	/nfs/dbraw/zinc/65/25/93/1086652593.db2.gz	KMIQIXLYIOPNGL-UHFFFAOYSA-N	0	1	310.195	2.221	10	10		DECEMN
COc1cccc(CN2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c1O	ZINC000246127371	533484058	/nfs/dbraw/zinc/48/40/58/533484058.db2.gz	KQTODKKALIIWHI-RRFJBIMHSA-N	0	1	307.390	2.169	10	10		DECEMN
CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000133590728	401891956	/nfs/dbraw/zinc/89/19/56/401891956.db2.gz	ARUQRWICXMUTMO-LLVKDONJSA-N	0	1	303.189	2.409	10	10		DECEMN
Cc1noc([C@H](C)N2CCN(Cc3cc(C)ccc3O)CC2)n1	ZINC000121323483	402028233	/nfs/dbraw/zinc/02/82/33/402028233.db2.gz	XRFSYRUWARHJQF-ZDUSSCGKSA-N	0	1	316.405	2.271	10	10		DECEMN
Cc1nnc([C@@H]2CN(Cc3cc(C)c(C)cc3O)CCO2)[nH]1	ZINC000180109287	402607616	/nfs/dbraw/zinc/60/76/16/402607616.db2.gz	SCGULRXIANCMQR-HNNXBMFYSA-N	0	1	302.378	2.009	10	10		DECEMN
COCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccccc1O	ZINC000183563907	402776749	/nfs/dbraw/zinc/77/67/49/402776749.db2.gz	DJKIUEFWEMZJOL-DGCLKSJQSA-N	0	1	302.378	2.316	10	10		DECEMN
CCc1nnc([C@@H]2CN(Cc3ccc(N(C)C)cc3)CCO2)[nH]1	ZINC000129119434	522139672	/nfs/dbraw/zinc/13/96/72/522139672.db2.gz	CADIPRFEGPTBGM-HNNXBMFYSA-N	0	1	315.421	2.007	10	10		DECEMN
O=S1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1	ZINC000236615256	625412990	/nfs/dbraw/zinc/41/29/90/625412990.db2.gz	OEYIPZKMHYFPPN-UHFFFAOYSA-N	0	1	318.236	2.155	10	10		DECEMN
COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccccc1O	ZINC000183563922	402776850	/nfs/dbraw/zinc/77/68/50/402776850.db2.gz	DJKIUEFWEMZJOL-AAEUAGOBSA-N	0	1	302.378	2.316	10	10		DECEMN
Cc1noc([C@@H](C)N2CCN(Cc3cccc(C)c3O)CC2)n1	ZINC000180100795	526643780	/nfs/dbraw/zinc/64/37/80/526643780.db2.gz	PPNQMVXCRDZTMQ-CYBMUJFWSA-N	0	1	316.405	2.271	10	10		DECEMN
Oc1cc2c(cc1CN1CCO[C@@H]([C@H]3CCCO3)C1)CCC2	ZINC000246180993	685125277	/nfs/dbraw/zinc/12/52/77/685125277.db2.gz	HACKOIUOWKBDDW-QZTJIDSGSA-N	0	1	303.402	2.261	10	10		DECEMN
CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCN1C[C@@H](C)O	ZINC000120676753	401997784	/nfs/dbraw/zinc/99/77/84/401997784.db2.gz	KHEAUDZXCWFWSV-NVXWUHKLSA-N	0	1	305.466	2.030	10	10		DECEMN
COc1ccc(CNC(=O)CN(C)Cc2ccccc2O)cc1	ZINC000109773254	402276199	/nfs/dbraw/zinc/27/61/99/402276199.db2.gz	AXXPLNFESAKLKG-UHFFFAOYSA-N	0	1	314.385	2.149	10	10		DECEMN
COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccccc1O	ZINC000183563940	402776704	/nfs/dbraw/zinc/77/67/04/402776704.db2.gz	DJKIUEFWEMZJOL-YPMHNXCESA-N	0	1	302.378	2.316	10	10		DECEMN
CN(C)c1ccncc1C(=O)NCc1ccc2c(c1)CCCN2C	ZINC000183545412	649106037	/nfs/dbraw/zinc/10/60/37/649106037.db2.gz	MSUGEYBAQWIJIX-UHFFFAOYSA-N	0	1	324.428	2.460	10	10		DECEMN
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCc3[nH]ncc32)c1	ZINC000136747689	684241278	/nfs/dbraw/zinc/24/12/78/684241278.db2.gz	WHICTBHCTIGBID-ZYHUDNBSSA-N	0	1	315.373	2.421	10	10		DECEMN
CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(Br)cc1O	ZINC000691414222	976355180	/nfs/dbraw/zinc/35/51/80/976355180.db2.gz	NBEDTRHGAWMZQR-UHFFFAOYSA-N	0	1	302.168	2.450	10	10		DECEMN
COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cccc(OC)c1O	ZINC000248837173	533089300	/nfs/dbraw/zinc/08/93/00/533089300.db2.gz	MUBPNCNCBHLRQM-WHOFXGATSA-N	0	1	305.374	2.174	10	10		DECEMN
[O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[C@H]1O	ZINC000230702443	646745084	/nfs/dbraw/zinc/74/50/84/646745084.db2.gz	RZILEDSJANPKCT-JOYOIKCWSA-N	0	1	300.196	2.405	10	10		DECEMN
[O-]c1cccc(Br)c1C[NH2+][C@@H](CO)C1CCC1	ZINC000717642617	799426723	/nfs/dbraw/zinc/42/67/23/799426723.db2.gz	MSWZJBGMERRVJU-LBPRGKRZSA-N	0	1	300.196	2.405	10	10		DECEMN
Oc1ccc(F)cc1C[N@H+]1CCCN(c2cccnn2)CC1	ZINC000180092214	402606911	/nfs/dbraw/zinc/60/69/11/402606911.db2.gz	ITFDCVRSEKHGER-UHFFFAOYSA-N	0	1	302.353	2.034	10	10		DECEMN
CCc1nnc([C@H]2CN(Cc3cc(C)c(C)cc3O)CCO2)[nH]1	ZINC000129184318	522140368	/nfs/dbraw/zinc/14/03/68/522140368.db2.gz	MFWKWPLYNPYMEX-OAHLLOKOSA-N	0	1	316.405	2.263	10	10		DECEMN
CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c1[O-]	ZINC000750045047	638705733	/nfs/dbraw/zinc/70/57/33/638705733.db2.gz	SHMIHHJJDAYXCP-CYBMUJFWSA-N	0	1	324.808	2.478	10	10		DECEMN
CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CC(N)=O)c1[O-]	ZINC000750045047	638705735	/nfs/dbraw/zinc/70/57/35/638705735.db2.gz	SHMIHHJJDAYXCP-CYBMUJFWSA-N	0	1	324.808	2.478	10	10		DECEMN
Oc1cc2c(cc1CN1CCO[C@]3(CCOC3)C1)CCCC2	ZINC000184268118	649252298	/nfs/dbraw/zinc/25/22/98/649252298.db2.gz	CLEACEXRPBDURP-GOSISDBHSA-N	0	1	303.402	2.262	10	10		DECEMN
CC(C)(C[NH2+]Cc1c([O-])cccc1Cl)CS(C)(=O)=O	ZINC000723882053	777200958	/nfs/dbraw/zinc/20/09/58/777200958.db2.gz	GLWJNZYRCHHIRT-UHFFFAOYSA-N	0	1	305.827	2.206	10	10		DECEMN
C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(Br)cc2O)C1	ZINC000691414201	976356129	/nfs/dbraw/zinc/35/61/29/976356129.db2.gz	MWCRBHMHCBNLKQ-ZDUSSCGKSA-N	0	1	314.179	2.451	10	10		DECEMN
Cc1ccc(O)c(CNCc2cn(C)nc2Br)c1	ZINC000720649118	1085812842	/nfs/dbraw/zinc/81/28/42/1085812842.db2.gz	ZCEUALRPUZGBFU-UHFFFAOYSA-N	0	1	310.195	2.486	10	10		DECEMN
Cc1cc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1	ZINC000120313953	634241043	/nfs/dbraw/zinc/24/10/43/634241043.db2.gz	DQVAXQJXLCNGAH-IUODEOHRSA-N	0	1	320.433	2.073	10	10		DECEMN
Cc1cnn(C)c1C[NH2+]Cc1cc(Br)ccc1[O-]	ZINC000394111969	685454918	/nfs/dbraw/zinc/45/49/18/685454918.db2.gz	LJLDFIPPHNKWEO-UHFFFAOYSA-N	0	1	310.195	2.486	10	10		DECEMN
CC1(C)CC[N@H+](Cc2ccc(F)c(F)c2[O-])CC[S@@]1=O	ZINC000703437319	1086499940	/nfs/dbraw/zinc/49/99/40/1086499940.db2.gz	LGXRRAXLYZIIBV-FQEVSTJZSA-N	0	1	303.374	2.403	10	10		DECEMN
CC1(C)CC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC[S@@]1=O	ZINC000703437319	1086499945	/nfs/dbraw/zinc/49/99/45/1086499945.db2.gz	LGXRRAXLYZIIBV-FQEVSTJZSA-N	0	1	303.374	2.403	10	10		DECEMN
COC[C@@H](CC[NH2+]Cc1c([O-])cccc1Br)OC	ZINC000706842498	1086653382	/nfs/dbraw/zinc/65/33/82/1086653382.db2.gz	RWASNQLDVUJJTK-SNVBAGLBSA-N	0	1	318.211	2.296	10	10		DECEMN
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(OC)ccc1O	ZINC000248798771	533080730	/nfs/dbraw/zinc/08/07/30/533080730.db2.gz	FSGQXYFAPGJWBM-XFJVYGCCSA-N	0	1	305.374	2.174	10	10		DECEMN
CCc1nc([C@H]2CN(Cc3cc(Cl)ccc3O)CCO2)n[nH]1	ZINC000129083272	401798122	/nfs/dbraw/zinc/79/81/22/401798122.db2.gz	SOISQZYGTJISGU-CYBMUJFWSA-N	0	1	322.796	2.300	10	10		DECEMN
CCN1CCN(c2ccc(CNCc3cocn3)cc2F)CC1	ZINC000192309944	402721955	/nfs/dbraw/zinc/72/19/55/402721955.db2.gz	YTWMSWOLVMVKDN-UHFFFAOYSA-N	0	1	318.396	2.245	10	10		DECEMN
C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccnn1C	ZINC000192698078	225141371	/nfs/dbraw/zinc/14/13/71/225141371.db2.gz	BZQSPKDNDBEQLS-ZDUSSCGKSA-N	0	1	318.396	2.247	10	10		DECEMN
CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1[O-]	ZINC000247330596	518287902	/nfs/dbraw/zinc/28/79/02/518287902.db2.gz	YNMUBHRKNHGFAH-ABAIWWIYSA-N	0	1	306.381	2.402	10	10		DECEMN
CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1[O-]	ZINC000247330596	518287908	/nfs/dbraw/zinc/28/79/08/518287908.db2.gz	YNMUBHRKNHGFAH-ABAIWWIYSA-N	0	1	306.381	2.402	10	10		DECEMN
CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1[O-]	ZINC000129067088	684175801	/nfs/dbraw/zinc/17/58/01/684175801.db2.gz	BNKKLBHHNBLZBR-ONGXEEELSA-N	0	1	324.808	2.334	10	10		DECEMN
CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1[O-]	ZINC000129067088	684175802	/nfs/dbraw/zinc/17/58/02/684175802.db2.gz	BNKKLBHHNBLZBR-ONGXEEELSA-N	0	1	324.808	2.334	10	10		DECEMN
c1cc(N2CCCCC2)ccc1CN1CCN2CCOC[C@H]2C1	ZINC000375237649	534473163	/nfs/dbraw/zinc/47/31/63/534473163.db2.gz	OOZWUUXTMOZJRK-LJQANCHMSA-N	0	1	315.461	2.193	10	10		DECEMN
CCc1nnc([C@H]2CN(Cc3ccc(N(C)C)cc3)CCO2)[nH]1	ZINC000129119629	522140826	/nfs/dbraw/zinc/14/08/26/522140826.db2.gz	CADIPRFEGPTBGM-OAHLLOKOSA-N	0	1	315.421	2.007	10	10		DECEMN
[O-]c1ccc(Br)cc1C[NH2+]CC1(CCO)CC1	ZINC000189997989	640063769	/nfs/dbraw/zinc/06/37/69/640063769.db2.gz	RPBAHSSLFOVNHZ-UHFFFAOYSA-N	0	1	300.196	2.407	10	10		DECEMN
Oc1c(Br)cccc1CN1CCn2ccnc2C1	ZINC000134213807	684226270	/nfs/dbraw/zinc/22/62/70/684226270.db2.gz	HWJUWGQOSLLAEZ-UHFFFAOYSA-N	0	1	308.179	2.367	10	10		DECEMN
CCN(CC)c1ccc(CN2CCN(CCO)[C@H](C)C2)cc1F	ZINC000190250377	684399896	/nfs/dbraw/zinc/39/98/96/684399896.db2.gz	NHJJVJQWQDHKLE-OAHLLOKOSA-N	0	1	323.456	2.170	10	10		DECEMN
Cc1cc(O)c(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)cc1C	ZINC000152798279	402109835	/nfs/dbraw/zinc/10/98/35/402109835.db2.gz	HGIDYCZRGWJCRZ-MRXNPFEDSA-N	0	1	301.390	2.107	10	10		DECEMN
Cc1cc(O)c(CN2CCO[C@@H](Cn3cccn3)C2)cc1C	ZINC000152798279	402109838	/nfs/dbraw/zinc/10/98/38/402109838.db2.gz	HGIDYCZRGWJCRZ-MRXNPFEDSA-N	0	1	301.390	2.107	10	10		DECEMN
CCOc1cccc(CN2CCN(c3cc(C)[nH]n3)CC2)c1O	ZINC000189014875	225041821	/nfs/dbraw/zinc/04/18/21/225041821.db2.gz	KJYRQTVYAHEBBQ-UHFFFAOYSA-N	0	1	316.405	2.145	10	10		DECEMN
COc1ccc(O)c(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1	ZINC000245855576	534201051	/nfs/dbraw/zinc/20/10/51/534201051.db2.gz	NLCVOJLUEKINDK-YQQAZPJKSA-N	0	1	307.390	2.169	10	10		DECEMN
Cc1cnn(C[C@@H]2CN(Cc3cccc(Cl)c3O)CCO2)c1	ZINC000180129979	526264748	/nfs/dbraw/zinc/26/47/48/526264748.db2.gz	CAJLPJBITFMBGC-AWEZNQCLSA-N	0	1	321.808	2.452	10	10		DECEMN
Cc1cnn(C[C@@H]2C[N@H+](Cc3cccc(Cl)c3[O-])CCO2)c1	ZINC000180129979	526264750	/nfs/dbraw/zinc/26/47/50/526264750.db2.gz	CAJLPJBITFMBGC-AWEZNQCLSA-N	0	1	321.808	2.452	10	10		DECEMN
Cc1cnn(C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CCO2)c1	ZINC000180129979	526264751	/nfs/dbraw/zinc/26/47/51/526264751.db2.gz	CAJLPJBITFMBGC-AWEZNQCLSA-N	0	1	321.808	2.452	10	10		DECEMN
Oc1c(Cl)cccc1CN1CCO[C@H](Cn2cccn2)C1	ZINC000180128752	526327465	/nfs/dbraw/zinc/32/74/65/526327465.db2.gz	RDCUIXPTFCLTCA-ZDUSSCGKSA-N	0	1	307.781	2.143	10	10		DECEMN
[O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@H](Cn2cccn2)C1	ZINC000180128752	526327472	/nfs/dbraw/zinc/32/74/72/526327472.db2.gz	RDCUIXPTFCLTCA-ZDUSSCGKSA-N	0	1	307.781	2.143	10	10		DECEMN
[O-]c1c(Cl)cccc1C[N@H+]1CCO[C@H](Cn2cccn2)C1	ZINC000180128752	526327476	/nfs/dbraw/zinc/32/74/76/526327476.db2.gz	RDCUIXPTFCLTCA-ZDUSSCGKSA-N	0	1	307.781	2.143	10	10		DECEMN
COc1ccc(N2CCCN(C[C@H](O)C(F)(F)F)CC2)cc1	ZINC000181650410	648718302	/nfs/dbraw/zinc/71/83/02/648718302.db2.gz	CWQKDTLRJOLKNL-AWEZNQCLSA-N	0	1	318.339	2.131	10	10		DECEMN
C[C@H](CC[NH2+]Cc1cc(Br)ccc1[O-])[S@@](C)=O	ZINC000133593295	637508848	/nfs/dbraw/zinc/50/88/48/637508848.db2.gz	BDSCKVJDVSQFEO-XLFHBGCDSA-N	0	1	320.252	2.401	10	10		DECEMN
COc1cc(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c(O)cc1C	ZINC000245541730	685114066	/nfs/dbraw/zinc/11/40/66/685114066.db2.gz	OSNVODYXSFJEPB-YQQAZPJKSA-N	0	1	321.417	2.478	10	10		DECEMN
C[N@@H+](Cc1ccc(Br)cc1O)C(C)(C)C(=O)[O-]	ZINC000691414978	976355368	/nfs/dbraw/zinc/35/53/68/976355368.db2.gz	PPURGPTVIMARCL-UHFFFAOYSA-N	0	1	302.168	2.450	10	10		DECEMN
C[C@H](CC[NH2+]Cc1c([O-])cccc1Br)[S@](C)=O	ZINC000706834327	1082282841	/nfs/dbraw/zinc/28/28/41/1082282841.db2.gz	WMJRVOWYHMPZDZ-XLFHBGCDSA-N	0	1	320.252	2.401	10	10		DECEMN
[NH3+]CC[C@@H]([NH3+])c1c(O)cc(Br)cc1Br	ZINC000306745113	356405521	/nfs/dbraw/zinc/40/55/21/356405521.db2.gz	ZNRNPRLPWFBDRX-SSDOTTSWSA-N	0	1	324.016	2.266	10	10		DECEMN
CCC(=O)Nc1cccc(NC=C2C(=O)OC(C)(C)OC2=O)c1	ZINC000009230943	181608958	/nfs/dbraw/zinc/60/89/58/181608958.db2.gz	UUGMMISCDHMVLE-UHFFFAOYSA-N	0	1	318.329	2.167	10	10		DECEMN
COc1cc(C)cc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1O	ZINC000165236478	646490892	/nfs/dbraw/zinc/49/08/92/646490892.db2.gz	LGVMCORSBJRIHS-OWCLPIDISA-N	0	1	321.417	2.478	10	10		DECEMN
[NH3+][C@H](C(=O)[O-])c1cc(Br)c(Br)cc1O	ZINC000072197171	191074196	/nfs/dbraw/zinc/07/41/96/191074196.db2.gz	BVZZPNSJPBCUTM-ZETCQYMHSA-N	0	1	324.956	2.002	10	10		DECEMN
Oc1ccccc1CN(C[C@@H](O)C(F)(F)F)C[C@H]1CCCO1	ZINC000248397001	402589055	/nfs/dbraw/zinc/58/90/55/402589055.db2.gz	QZOJJBCGIONITE-TZMCWYRMSA-N	0	1	319.323	2.296	10	10		DECEMN
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(C)c(O)c1O	ZINC000248412840	402589588	/nfs/dbraw/zinc/58/95/88/402589588.db2.gz	KDRYKXBLCBDKOS-OLZOCXBDSA-N	0	1	304.390	2.105	10	10		DECEMN
Cc1cc(C)n(C[C@H]2CN(Cc3ccccc3O)CCO2)n1	ZINC000179572587	402594840	/nfs/dbraw/zinc/59/48/40/402594840.db2.gz	AYYQFSZFIXNWHC-MRXNPFEDSA-N	0	1	301.390	2.107	10	10		DECEMN
[O-]c1cccc(Br)c1C[NH2+]C[C@H]1CCC[C@@H]1O	ZINC000706846214	1086651883	/nfs/dbraw/zinc/65/18/83/1086651883.db2.gz	DAVZGCWFJAKZNM-SKDRFNHKSA-N	0	1	300.196	2.405	10	10		DECEMN
CC(=O)c1cc(Cl)cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[O-]	ZINC000193636870	527208243	/nfs/dbraw/zinc/20/82/43/527208243.db2.gz	XOLMNQJSJBZACY-BETUJISGSA-N	0	1	308.809	2.242	10	10		DECEMN
CC(=O)c1cc(Cl)cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[O-]	ZINC000193636870	527208248	/nfs/dbraw/zinc/20/82/48/527208248.db2.gz	XOLMNQJSJBZACY-BETUJISGSA-N	0	1	308.809	2.242	10	10		DECEMN
Cc1cnn(C[C@@H]2CN(Cc3cc(C)cc(C)c3O)CCO2)c1	ZINC000164323863	646433675	/nfs/dbraw/zinc/43/36/75/646433675.db2.gz	LWEKHHBYFFHAEF-KRWDZBQOSA-N	0	1	315.417	2.415	10	10		DECEMN
COc1cnccc1[C@H](C)NCc1cc2c(cc1O)OCO2	ZINC000189549442	684383664	/nfs/dbraw/zinc/38/36/64/684383664.db2.gz	NKHHDDJEMLVHGY-JTQLQIEISA-N	0	1	302.330	2.375	10	10		DECEMN
COc1cc(C)cc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1O	ZINC000246545793	685132070	/nfs/dbraw/zinc/13/20/70/685132070.db2.gz	LGVMCORSBJRIHS-BZUAXINKSA-N	0	1	321.417	2.478	10	10		DECEMN
O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1cc(Cl)ccc1[O-]	ZINC000714334787	792309649	/nfs/dbraw/zinc/30/96/49/792309649.db2.gz	LHKOZBLAVIBEFX-GFCCVEGCSA-N	0	1	303.811	2.103	10	10		DECEMN
O=C1CS[C@@H](c2ccccc2O)N1c1n[nH]c2ncccc21	ZINC000584653188	337381114	/nfs/dbraw/zinc/38/11/14/337381114.db2.gz	LRJWBYHUGMKVAW-HNNXBMFYSA-N	0	1	312.354	2.442	10	10		DECEMN
CCn1cc([C@@H]2CN(Cc3cccc(C)c3O)CCO2)cn1	ZINC000191695596	523467293	/nfs/dbraw/zinc/46/72/93/523467293.db2.gz	OBYBEDOPHKWNGT-INIZCTEOSA-N	0	1	301.390	2.491	10	10		DECEMN
CCn1cc([C@H]2CN(Cc3cc(C)ccc3O)CCO2)cn1	ZINC000191700661	523482680	/nfs/dbraw/zinc/48/26/80/523482680.db2.gz	WWBPNZAQUYOBRE-QGZVFWFLSA-N	0	1	301.390	2.491	10	10		DECEMN
Cc1noc([C@@H](C)N2CCN(Cc3cc(C)ccc3O)CC2)n1	ZINC000121323674	526643966	/nfs/dbraw/zinc/64/39/66/526643966.db2.gz	XRFSYRUWARHJQF-CYBMUJFWSA-N	0	1	316.405	2.271	10	10		DECEMN
COc1ccc(N2CCCN(C[C@@H](O)C(F)(F)F)CC2)cc1	ZINC000248544397	685162072	/nfs/dbraw/zinc/16/20/72/685162072.db2.gz	CWQKDTLRJOLKNL-CQSZACIVSA-N	0	1	318.339	2.131	10	10		DECEMN
Cn1cc(CNCc2cc(F)ccc2O)c(Br)n1	ZINC000720657124	1085817915	/nfs/dbraw/zinc/81/79/15/1085817915.db2.gz	RMHOSRVEAORSIS-UHFFFAOYSA-N	0	1	314.158	2.317	10	10		DECEMN
COC[C@H](CC[NH2+]Cc1c([O-])cccc1Br)OC	ZINC000706842496	1086653401	/nfs/dbraw/zinc/65/34/01/1086653401.db2.gz	RWASNQLDVUJJTK-JTQLQIEISA-N	0	1	318.211	2.296	10	10		DECEMN
CCCC(=O)N[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	ZINC000101539037	402146492	/nfs/dbraw/zinc/14/64/92/402146492.db2.gz	OQXGIRFMQXJODS-ZDUSSCGKSA-N	0	1	320.389	2.002	10	10		DECEMN
COc1ccc(O)c([C@H](C)N[C@@H]2CCCn3nc(C)nc32)c1	ZINC000186096501	402400721	/nfs/dbraw/zinc/40/07/21/402400721.db2.gz	UURFUIJGDMFCEE-IINYFYTJSA-N	0	1	302.378	2.486	10	10		DECEMN
Oc1ccc(Cl)c(F)c1CN1CCO[C@@]2(CCOC2)C1	ZINC000191502475	225111397	/nfs/dbraw/zinc/11/13/97/225111397.db2.gz	NWOUBTITVSZBQX-AWEZNQCLSA-N	0	1	301.745	2.176	10	10		DECEMN
CC(=O)c1cc(F)cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1[O-]	ZINC000370170703	527211630	/nfs/dbraw/zinc/21/16/30/527211630.db2.gz	VPRJRSNRHCQGMG-HBBFGDNQSA-N	0	1	307.365	2.327	10	10		DECEMN
CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1[O-]	ZINC000370170703	527211635	/nfs/dbraw/zinc/21/16/35/527211635.db2.gz	VPRJRSNRHCQGMG-HBBFGDNQSA-N	0	1	307.365	2.327	10	10		DECEMN
COc1cc(C)cc(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1O	ZINC000246545800	685132002	/nfs/dbraw/zinc/13/20/02/685132002.db2.gz	LGVMCORSBJRIHS-HRCADAONSA-N	0	1	321.417	2.478	10	10		DECEMN
[O-]c1cccc(Br)c1C[NH2+]CC[C@H](O)C(F)F	ZINC000716747094	793005535	/nfs/dbraw/zinc/00/55/35/793005535.db2.gz	VSJVGOCUEAFFJQ-JTQLQIEISA-N	0	1	310.138	2.260	10	10		DECEMN
C[C@@H](CC[NH2+]Cc1c([O-])cccc1Br)[S@](C)=O	ZINC000706834328	1082282732	/nfs/dbraw/zinc/28/27/32/1082282732.db2.gz	WMJRVOWYHMPZDZ-XYZCENFISA-N	0	1	320.252	2.401	10	10		DECEMN
[O-]c1cc(Br)ccc1C[NH2+][C@@H](CO)C1CCC1	ZINC000717602988	799426693	/nfs/dbraw/zinc/42/66/93/799426693.db2.gz	FBTSYAOLEOOBCS-LBPRGKRZSA-N	0	1	300.196	2.405	10	10		DECEMN
Cc1cnn(C[C@@H]2CN(Cc3cc(C)ccc3O)CCO2)c1	ZINC000122478038	402080520	/nfs/dbraw/zinc/08/05/20/402080520.db2.gz	BBLBJXYLHZCZLM-INIZCTEOSA-N	0	1	301.390	2.107	10	10		DECEMN
CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1O	ZINC000175680693	402825118	/nfs/dbraw/zinc/82/51/18/402825118.db2.gz	UMLSJSAFMPHQID-LBPRGKRZSA-N	0	1	317.364	2.457	10	10		DECEMN
CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1[O-]	ZINC000175680693	402825123	/nfs/dbraw/zinc/82/51/23/402825123.db2.gz	UMLSJSAFMPHQID-LBPRGKRZSA-N	0	1	317.364	2.457	10	10		DECEMN
C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1N1CCOCC1	ZINC000180655548	300270856	/nfs/dbraw/zinc/27/08/56/300270856.db2.gz	WRWHWYVXNWEGBY-WFASDCNBSA-N	0	1	310.825	2.198	10	10		DECEMN
COc1ccc(O)c(CN2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1	ZINC000245855572	534201760	/nfs/dbraw/zinc/20/17/60/534201760.db2.gz	NLCVOJLUEKINDK-BFYDXBDKSA-N	0	1	307.390	2.169	10	10		DECEMN
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCc3[nH]ncc32)c1	ZINC000136747656	684241334	/nfs/dbraw/zinc/24/13/34/684241334.db2.gz	WHICTBHCTIGBID-CMPLNLGQSA-N	0	1	315.373	2.421	10	10		DECEMN
[O-]c1ccc(Br)cc1C[NH2+][C@@H](CO)C1CCC1	ZINC000717602560	799426877	/nfs/dbraw/zinc/42/68/77/799426877.db2.gz	CLTAQZLDTSYZMM-LBPRGKRZSA-N	0	1	300.196	2.405	10	10		DECEMN
COc1ccc(OC)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1	ZINC000016215208	182036975	/nfs/dbraw/zinc/03/69/75/182036975.db2.gz	MCTVFDWTRXLOPK-PTNGSMBKSA-N	0	1	324.336	2.165	10	10		DECEMN
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cccc(OC)c1O	ZINC000248837170	533080821	/nfs/dbraw/zinc/08/08/21/533080821.db2.gz	MUBPNCNCBHLRQM-KYOSRNDESA-N	0	1	305.374	2.174	10	10		DECEMN
CCOc1ccc(O)c(CN2CC[C@](O)(C(F)(F)F)C2)c1	ZINC000093612149	402017686	/nfs/dbraw/zinc/01/76/86/402017686.db2.gz	MQFSBFIMPXLEDJ-CYBMUJFWSA-N	0	1	305.296	2.290	10	10		DECEMN
Cn1cc([C@@H]2CCCN2Cc2cc3c(cc2O)OCO3)cn1	ZINC000171361381	402580999	/nfs/dbraw/zinc/58/09/99/402580999.db2.gz	MJUFWJYZSJSXLK-ZDUSSCGKSA-N	0	1	301.346	2.192	10	10		DECEMN
COc1ccc(O)c(CN2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c1	ZINC000245855580	534201831	/nfs/dbraw/zinc/20/18/31/534201831.db2.gz	NLCVOJLUEKINDK-ZMSDIMECSA-N	0	1	307.390	2.169	10	10		DECEMN
COCC[C@H](COC)[NH2+]Cc1cc(Br)ccc1[O-]	ZINC000310847613	625193923	/nfs/dbraw/zinc/19/39/23/625193923.db2.gz	PAVSFSVDMLXZRA-GFCCVEGCSA-N	0	1	318.211	2.296	10	10		DECEMN
[O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CCC[C@H]1O	ZINC000706846205	1086652614	/nfs/dbraw/zinc/65/26/14/1086652614.db2.gz	DAVZGCWFJAKZNM-JOYOIKCWSA-N	0	1	300.196	2.405	10	10		DECEMN
CCc1noc([C@@H](C)N2CCN(Cc3ccccc3O)CC2)n1	ZINC000179572116	402595256	/nfs/dbraw/zinc/59/52/56/402595256.db2.gz	YALPCUJVMLEXTJ-CYBMUJFWSA-N	0	1	316.405	2.216	10	10		DECEMN
COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccccc1O	ZINC000183563890	402776592	/nfs/dbraw/zinc/77/65/92/402776592.db2.gz	DJKIUEFWEMZJOL-WCQYABFASA-N	0	1	302.378	2.316	10	10		DECEMN
Cc1noc([C@H]2COCCN2Cc2cccc(Cl)c2O)n1	ZINC000188477063	225022939	/nfs/dbraw/zinc/02/29/39/225022939.db2.gz	KHQUECIWRYLSPJ-GFCCVEGCSA-N	0	1	309.753	2.311	10	10		DECEMN
[O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](N2CCOCC2)C1	ZINC000191255544	225107037	/nfs/dbraw/zinc/10/70/37/225107037.db2.gz	GCFMANJQOLTNDB-LLVKDONJSA-N	0	1	314.788	2.091	10	10		DECEMN
Oc1cc2c(cc1CN1CCO[C@H]([C@@H]3CCCO3)C1)CCC2	ZINC000151115813	646271349	/nfs/dbraw/zinc/27/13/49/646271349.db2.gz	HACKOIUOWKBDDW-ROUUACIJSA-N	0	1	303.402	2.261	10	10		DECEMN
[O-]c1ccc(Br)cc1C[NH2+]CC[C@@H](O)C(F)F	ZINC000716766457	793006519	/nfs/dbraw/zinc/00/65/19/793006519.db2.gz	UYELNEIMWKABGO-SNVBAGLBSA-N	0	1	310.138	2.260	10	10		DECEMN
[O-]c1ccc(Br)cc1C[NH2+]CC[C@H](O)C(F)F	ZINC000716766455	793006923	/nfs/dbraw/zinc/00/69/23/793006923.db2.gz	UYELNEIMWKABGO-JTQLQIEISA-N	0	1	310.138	2.260	10	10		DECEMN
O=C([O-])[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1	ZINC000691413256	954683478	/nfs/dbraw/zinc/68/34/78/954683478.db2.gz	JPEBWHDFABVPMI-SECBINFHSA-N	0	1	300.152	2.061	10	10		DECEMN
Cc1cccc(CNCc2cn(C)nc2Br)c1O	ZINC000720647491	1085812254	/nfs/dbraw/zinc/81/22/54/1085812254.db2.gz	BVTWAJPRYIDKQD-UHFFFAOYSA-N	0	1	310.195	2.486	10	10		DECEMN
Cc1cnn(CC[NH2+]Cc2cc(Br)ccc2[O-])c1	ZINC000105908548	651242750	/nfs/dbraw/zinc/24/27/50/651242750.db2.gz	IKAXPWWGXPRFNL-UHFFFAOYSA-N	0	1	310.195	2.449	10	10		DECEMN