smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1	ZINC000171645251	546217013	/nfs/dbraw/zinc/21/70/13/546217013.db2.gz	QCUZFCOARJLDGY-SFHVURJKSA-N	1	1	367.497	2.198	10	10		FECEMO
Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000178316815	546774296	/nfs/dbraw/zinc/77/42/96/546774296.db2.gz	XIPIBKWFZPNZHA-HXUWFJFHSA-N	1	1	369.513	2.381	10	10		FECEMO
COc1cc(Br)cc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c1O	ZINC000153834094	672205446	/nfs/dbraw/zinc/20/54/46/672205446.db2.gz	FPXQQOYVMBIONF-ZDUSSCGKSA-N	1	1	357.248	2.264	10	10		FECEMO
COc1cc(Br)cc(C[N@H+]2CCC[C@H](NC(C)=O)C2)c1O	ZINC000153834094	672205447	/nfs/dbraw/zinc/20/54/47/672205447.db2.gz	FPXQQOYVMBIONF-ZDUSSCGKSA-N	1	1	357.248	2.264	10	10		FECEMO
CC[C@@H]1CN(Cc2cc(Br)ccc2O)CC[N@H+]1C[C@H](C)O	ZINC000245804722	672825079	/nfs/dbraw/zinc/82/50/79/672825079.db2.gz	YIJXORRZPWBCGR-SWLSCSKDSA-N	1	1	357.292	2.432	10	10		FECEMO
COc1cc(Br)cc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1O	ZINC000120583349	671929499	/nfs/dbraw/zinc/92/94/99/671929499.db2.gz	TXUWSAPPSDFVOX-NWDGAFQWSA-N	1	1	373.291	2.050	10	10		FECEMO
C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccc(F)cc1O	ZINC000702763074	673058791	/nfs/dbraw/zinc/05/87/91/673058791.db2.gz	LWICEPZIKYKSOO-MKBNYLNASA-N	1	1	354.422	2.410	10	10		FECEMO
COc1cc(Cl)cc(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)c1O	ZINC000184690534	547866130	/nfs/dbraw/zinc/86/61/30/547866130.db2.gz	FNOBFPVXHHKPMI-UHFFFAOYSA-N	1	1	364.877	2.496	10	10		FECEMO
COc1cc(Cl)cc(CN2CCC[N@H+](Cc3cnn(C)c3)CC2)c1O	ZINC000184690534	547866133	/nfs/dbraw/zinc/86/61/33/547866133.db2.gz	FNOBFPVXHHKPMI-UHFFFAOYSA-N	1	1	364.877	2.496	10	10		FECEMO
COc1cc(Cl)cc(CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1O	ZINC000184690534	547866136	/nfs/dbraw/zinc/86/61/36/547866136.db2.gz	FNOBFPVXHHKPMI-UHFFFAOYSA-N	1	1	364.877	2.496	10	10		FECEMO
COCC[N@@H+]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1C	ZINC000172326633	546248070	/nfs/dbraw/zinc/24/80/70/546248070.db2.gz	HOQQWVLFDPBWJS-QGZVFWFLSA-N	1	1	360.502	2.149	10	10		FECEMO
COCC[N@H+]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1C	ZINC000172326633	546248075	/nfs/dbraw/zinc/24/80/75/546248075.db2.gz	HOQQWVLFDPBWJS-QGZVFWFLSA-N	1	1	360.502	2.149	10	10		FECEMO
C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@H]1N1CCOCC1	ZINC000245784935	672824420	/nfs/dbraw/zinc/82/44/20/672824420.db2.gz	VABBIJHXLARSKF-IUODEOHRSA-N	1	1	355.276	2.307	10	10		FECEMO
C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@H]1N1CCOCC1	ZINC000245784935	672824425	/nfs/dbraw/zinc/82/44/25/672824425.db2.gz	VABBIJHXLARSKF-IUODEOHRSA-N	1	1	355.276	2.307	10	10		FECEMO
CC[C@H]1CN(Cc2cc(Br)ccc2O)CC[N@H+]1C[C@H](C)O	ZINC000245804727	672824893	/nfs/dbraw/zinc/82/48/93/672824893.db2.gz	YIJXORRZPWBCGR-WFASDCNBSA-N	1	1	357.292	2.432	10	10		FECEMO
COc1cc(Br)cc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1O	ZINC000120971103	543687359	/nfs/dbraw/zinc/68/73/59/543687359.db2.gz	OENIIUHUGZYMMQ-CQSZACIVSA-N	1	1	371.275	2.070	10	10		FECEMO
CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	ZINC000170651682	546169057	/nfs/dbraw/zinc/16/90/57/546169057.db2.gz	FFFFKEKGUXNLFL-SFHVURJKSA-N	1	1	374.529	2.092	10	10		FECEMO
CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	ZINC000170651682	546169060	/nfs/dbraw/zinc/16/90/60/546169060.db2.gz	FFFFKEKGUXNLFL-SFHVURJKSA-N	1	1	374.529	2.092	10	10		FECEMO
COCC[N@@H+]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C	ZINC000172326636	546248260	/nfs/dbraw/zinc/24/82/60/546248260.db2.gz	HOQQWVLFDPBWJS-KRWDZBQOSA-N	1	1	360.502	2.149	10	10		FECEMO
COCC[N@H+]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C	ZINC000172326636	546248263	/nfs/dbraw/zinc/24/82/63/546248263.db2.gz	HOQQWVLFDPBWJS-KRWDZBQOSA-N	1	1	360.502	2.149	10	10		FECEMO
CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1	ZINC000178699657	546835609	/nfs/dbraw/zinc/83/56/09/546835609.db2.gz	OFIFODDIYYKMEN-NQIIRXRSSA-N	1	1	359.514	2.338	10	10		FECEMO
CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1	ZINC000188130586	548272602	/nfs/dbraw/zinc/27/26/02/548272602.db2.gz	JVDUWIFJWGLESL-HKUYNNGSSA-N	1	1	373.522	2.138	10	10		FECEMO
CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1	ZINC000152268381	544631773	/nfs/dbraw/zinc/63/17/73/544631773.db2.gz	XNTBZPQOOTYZNC-FQEVSTJZSA-N	1	1	368.481	2.259	10	10		FECEMO
CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](Oc3cccnc3)C2)cc1	ZINC000152268381	544631779	/nfs/dbraw/zinc/63/17/79/544631779.db2.gz	XNTBZPQOOTYZNC-FQEVSTJZSA-N	1	1	368.481	2.259	10	10		FECEMO
Cc1cc(Br)cc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1O	ZINC000158028455	545814222	/nfs/dbraw/zinc/81/42/22/545814222.db2.gz	AXYDZZOVGANLTG-OAHLLOKOSA-N	1	1	355.276	2.370	10	10		FECEMO
Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1	ZINC000154577263	544924008	/nfs/dbraw/zinc/92/40/08/544924008.db2.gz	WYARKDZFHSPEHY-IBGZPJMESA-N	1	1	355.486	2.038	10	10		FECEMO
Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c(O)c1O	ZINC000190595310	548329787	/nfs/dbraw/zinc/32/97/87/548329787.db2.gz	PDLALLVZXRMNKO-MRXNPFEDSA-N	1	1	355.438	2.395	10	10		FECEMO
CCn1cc([C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)cn1	ZINC000191707360	548349378	/nfs/dbraw/zinc/34/93/78/548349378.db2.gz	JJYWFLRIFOUCRF-FQEVSTJZSA-N	1	1	356.470	2.313	10	10		FECEMO
CCn1cc([C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)cn1	ZINC000191707360	548349382	/nfs/dbraw/zinc/34/93/82/548349382.db2.gz	JJYWFLRIFOUCRF-FQEVSTJZSA-N	1	1	356.470	2.313	10	10		FECEMO
CCc1nccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000106215733	543219416	/nfs/dbraw/zinc/21/94/16/543219416.db2.gz	BOUVBOQBZKOAAH-LJQANCHMSA-N	1	1	369.513	2.465	10	10		FECEMO
CC[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000181817876	547385951	/nfs/dbraw/zinc/38/59/51/547385951.db2.gz	NBGQLFOFYIJDFU-IEBWSBKVSA-N	1	1	372.513	2.049	10	10		FECEMO
CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	ZINC000170651681	546168959	/nfs/dbraw/zinc/16/89/59/546168959.db2.gz	FFFFKEKGUXNLFL-GOSISDBHSA-N	1	1	374.529	2.092	10	10		FECEMO
CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	ZINC000170651681	546168962	/nfs/dbraw/zinc/16/89/62/546168962.db2.gz	FFFFKEKGUXNLFL-GOSISDBHSA-N	1	1	374.529	2.092	10	10		FECEMO
C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccc(F)cc1O	ZINC000702763076	673058855	/nfs/dbraw/zinc/05/88/55/673058855.db2.gz	LWICEPZIKYKSOO-MQIPJXDCSA-N	1	1	354.422	2.410	10	10		FECEMO
C[C@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@@H]1N1CCOCC1	ZINC000180231359	672411476	/nfs/dbraw/zinc/41/14/76/672411476.db2.gz	VABBIJHXLARSKF-WFASDCNBSA-N	1	1	355.276	2.307	10	10		FECEMO
C[C@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@@H]1N1CCOCC1	ZINC000180231359	672411477	/nfs/dbraw/zinc/41/14/77/672411477.db2.gz	VABBIJHXLARSKF-WFASDCNBSA-N	1	1	355.276	2.307	10	10		FECEMO
CC(=O)c1cc(F)cc(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)c1O	ZINC000175650430	546328097	/nfs/dbraw/zinc/32/80/97/546328097.db2.gz	HPSKIPYPXSWUIN-UHFFFAOYSA-N	1	1	360.433	2.175	10	10		FECEMO
CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)c1O	ZINC000175650430	546328101	/nfs/dbraw/zinc/32/81/01/546328101.db2.gz	HPSKIPYPXSWUIN-UHFFFAOYSA-N	1	1	360.433	2.175	10	10		FECEMO
CC(C)[N@@H+]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1	ZINC000132411702	544230215	/nfs/dbraw/zinc/23/02/15/544230215.db2.gz	CIMCPRVGQJMAOL-PXNSSMCTSA-N	1	1	374.529	2.393	10	10		FECEMO
C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000190635896	548331061	/nfs/dbraw/zinc/33/10/61/548331061.db2.gz	RVYNIKZZXDQZQV-FZMUQLTDSA-N	1	1	367.449	2.487	10	10		FECEMO
Cc1ccc(N2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC2)nn1	ZINC000093271796	542922317	/nfs/dbraw/zinc/92/23/17/542922317.db2.gz	NLRYPTTXYDEKHY-UHFFFAOYSA-N	1	1	367.497	2.334	10	10		FECEMO
CCOCC[N@@H+]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C	ZINC000245936570	672826689	/nfs/dbraw/zinc/82/66/89/672826689.db2.gz	QEARBRRAAQVDBN-CYBMUJFWSA-N	1	1	353.419	2.159	10	10		FECEMO
CCOCC[N@H+]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C	ZINC000245936570	672826694	/nfs/dbraw/zinc/82/66/94/672826694.db2.gz	QEARBRRAAQVDBN-CYBMUJFWSA-N	1	1	353.419	2.159	10	10		FECEMO
CCc1nccn1[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000106215737	543219259	/nfs/dbraw/zinc/21/92/59/543219259.db2.gz	BOUVBOQBZKOAAH-IBGZPJMESA-N	1	1	369.513	2.465	10	10		FECEMO
CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1	ZINC000171645249	546217283	/nfs/dbraw/zinc/21/72/83/546217283.db2.gz	QCUZFCOARJLDGY-GOSISDBHSA-N	1	1	367.497	2.198	10	10		FECEMO
CNC(=O)c1ccn([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCN4C)C2)n1	ZINC000328630594	553799591	/nfs/dbraw/zinc/79/95/91/553799591.db2.gz	JOVYRNOBTRILDH-QGZVFWFLSA-N	1	1	353.470	2.072	10	10		FECEMO
CC[C@@H]1CN(Cc2cccc(Br)c2O)CC[N@@H+]1C[C@H](C)O	ZINC000245757040	672824110	/nfs/dbraw/zinc/82/41/10/672824110.db2.gz	OWWTYNKFRNWNQG-GXTWGEPZSA-N	1	1	357.292	2.432	10	10		FECEMO
CC[C@@H]1CN(Cc2cccc(Br)c2O)CC[N@H+]1C[C@H](C)O	ZINC000245757040	672824115	/nfs/dbraw/zinc/82/41/15/672824115.db2.gz	OWWTYNKFRNWNQG-GXTWGEPZSA-N	1	1	357.292	2.432	10	10		FECEMO
CCCn1cc(CN2CCC[N@@H+](Cc3cc4c(cc3O)OCO4)CC2)cn1	ZINC000121682174	543698516	/nfs/dbraw/zinc/69/85/16/543698516.db2.gz	BZTYWIQEGGDVEN-UHFFFAOYSA-N	1	1	372.469	2.435	10	10		FECEMO
COc1cc(O)c(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1OC	ZINC000180079078	547047902	/nfs/dbraw/zinc/04/79/02/547047902.db2.gz	ASBGOOCRYSCVQV-OAHLLOKOSA-N	1	1	358.442	2.300	10	10		FECEMO
CCn1cc(C2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)cn1	ZINC000195499830	548650448	/nfs/dbraw/zinc/65/04/48/548650448.db2.gz	PCEDHEZDFYPBAO-UHFFFAOYSA-N	1	1	369.513	2.465	10	10		FECEMO
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[N@H+]2CCC[C@H]2C1	ZINC000171902119	672337348	/nfs/dbraw/zinc/33/73/48/672337348.db2.gz	HJKDLHBYRNPWOC-SFHVURJKSA-N	1	1	360.527	2.229	10	10		FECEMO
C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@@H]1N1CCOCC1	ZINC000180224125	547070212	/nfs/dbraw/zinc/07/02/12/547070212.db2.gz	BDBUCASWGVFBKW-WFASDCNBSA-N	1	1	355.276	2.307	10	10		FECEMO
COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c1O	ZINC000153834018	672205353	/nfs/dbraw/zinc/20/53/53/672205353.db2.gz	FPXQQOYVMBIONF-CYBMUJFWSA-N	1	1	357.248	2.264	10	10		FECEMO
COc1cc(Br)cc(C[N@H+]2CCC[C@@H](NC(C)=O)C2)c1O	ZINC000153834018	672205355	/nfs/dbraw/zinc/20/53/55/672205355.db2.gz	FPXQQOYVMBIONF-CYBMUJFWSA-N	1	1	357.248	2.264	10	10		FECEMO
CC[C@H]1CN(C(=O)NCCCSc2nccs2)CC[N@H+]1C[C@@H](C)O	ZINC000181982488	672436037	/nfs/dbraw/zinc/43/60/37/672436037.db2.gz	MYECQSCHYCFGBV-KGLIPLIRSA-N	1	1	372.560	2.112	10	10		FECEMO
Cc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(C)n1-c1ccccn1	ZINC000174318227	546294643	/nfs/dbraw/zinc/29/46/43/546294643.db2.gz	RGPHBFODYNAFQB-JKSUJKDBSA-N	1	1	356.470	2.016	10	10		FECEMO
Cc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c(C)n1-c1ccccn1	ZINC000174318227	546294647	/nfs/dbraw/zinc/29/46/47/546294647.db2.gz	RGPHBFODYNAFQB-JKSUJKDBSA-N	1	1	356.470	2.016	10	10		FECEMO
C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@@H]1N1CCOCC1	ZINC000180231344	672411326	/nfs/dbraw/zinc/41/13/26/672411326.db2.gz	VABBIJHXLARSKF-DOMZBBRYSA-N	1	1	355.276	2.307	10	10		FECEMO
C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@@H]1N1CCOCC1	ZINC000180231344	672411327	/nfs/dbraw/zinc/41/13/27/672411327.db2.gz	VABBIJHXLARSKF-DOMZBBRYSA-N	1	1	355.276	2.307	10	10		FECEMO
COCC[N@H+]1CCN(Cc2cc(Br)cc(OC)c2O)C[C@H]1C	ZINC000120787694	671935578	/nfs/dbraw/zinc/93/55/78/671935578.db2.gz	PAGNLVJKFMSNEI-GFCCVEGCSA-N	1	1	373.291	2.316	10	10		FECEMO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccc(F)cc1O	ZINC000702763072	673058801	/nfs/dbraw/zinc/05/88/01/673058801.db2.gz	LWICEPZIKYKSOO-HWWQOWPSSA-N	1	1	354.422	2.410	10	10		FECEMO
Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)no1	ZINC000171406646	546207494	/nfs/dbraw/zinc/20/74/94/546207494.db2.gz	NSQLFJXTUKRUSE-KRWDZBQOSA-N	1	1	371.485	2.015	10	10		FECEMO
Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)no1	ZINC000171406646	546207496	/nfs/dbraw/zinc/20/74/96/546207496.db2.gz	NSQLFJXTUKRUSE-KRWDZBQOSA-N	1	1	371.485	2.015	10	10		FECEMO
CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1	ZINC000178699641	546835857	/nfs/dbraw/zinc/83/58/57/546835857.db2.gz	OFIFODDIYYKMEN-WIYYLYMNSA-N	1	1	359.514	2.338	10	10		FECEMO
c1cnnc(N2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2)c1	ZINC000093150276	542912778	/nfs/dbraw/zinc/91/27/78/542912778.db2.gz	XZGPCTXRWWXWDU-UHFFFAOYSA-N	1	1	353.470	2.026	10	10		FECEMO
Cc1cnn([C@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)c1	ZINC000106223623	543220312	/nfs/dbraw/zinc/22/03/12/543220312.db2.gz	MFICGBHFGLXHNO-IBGZPJMESA-N	1	1	355.486	2.211	10	10		FECEMO
Cc1cnn([C@H]2CCC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)c1	ZINC000106223623	543220313	/nfs/dbraw/zinc/22/03/13/543220313.db2.gz	MFICGBHFGLXHNO-IBGZPJMESA-N	1	1	355.486	2.211	10	10		FECEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1	ZINC000106394665	543227713	/nfs/dbraw/zinc/22/77/13/543227713.db2.gz	WGTWPTREIGJRTM-QGZVFWFLSA-N	1	1	356.470	2.018	10	10		FECEMO
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000179515974	672402637	/nfs/dbraw/zinc/40/26/37/672402637.db2.gz	NTLUDPYHUCCDBX-GFCCVEGCSA-N	1	1	371.865	2.478	10	10		FECEMO
COc1cc(O)c(C[N@@H+]2CCO[C@@H](Cn3nc(C)cc3C)C2)cc1OC	ZINC000160261919	546022732	/nfs/dbraw/zinc/02/27/32/546022732.db2.gz	GRYYOVVNYSLSGF-MRXNPFEDSA-N	1	1	361.442	2.124	10	10		FECEMO
COc1cc(O)c(C[N@H+]2CCO[C@@H](Cn3nc(C)cc3C)C2)cc1OC	ZINC000160261919	546022735	/nfs/dbraw/zinc/02/27/35/546022735.db2.gz	GRYYOVVNYSLSGF-MRXNPFEDSA-N	1	1	361.442	2.124	10	10		FECEMO
CC[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[N@H+]1C[C@H](C)O	ZINC000248489662	672857618	/nfs/dbraw/zinc/85/76/18/672857618.db2.gz	MYECQSCHYCFGBV-UONOGXRCSA-N	1	1	372.560	2.112	10	10		FECEMO
CC(=O)c1cc(F)cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1[O-]	ZINC000175648307	546327409	/nfs/dbraw/zinc/32/74/09/546327409.db2.gz	ZBBILFVLFDDPOM-ZDUSSCGKSA-N	1	1	352.450	2.259	10	10		FECEMO
CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1O	ZINC000177232348	672381407	/nfs/dbraw/zinc/38/14/07/672381407.db2.gz	CAAPMUDRZLLDPC-PXAZEXFGSA-N	1	1	352.862	2.401	10	10		FECEMO
Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)c1	ZINC000106223621	543220298	/nfs/dbraw/zinc/22/02/98/543220298.db2.gz	MFICGBHFGLXHNO-LJQANCHMSA-N	1	1	355.486	2.211	10	10		FECEMO
Cc1cnn([C@@H]2CCC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)c1	ZINC000106223621	543220299	/nfs/dbraw/zinc/22/02/99/543220299.db2.gz	MFICGBHFGLXHNO-LJQANCHMSA-N	1	1	355.486	2.211	10	10		FECEMO
Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1	ZINC000154577379	544924573	/nfs/dbraw/zinc/92/45/73/544924573.db2.gz	WYARKDZFHSPEHY-LJQANCHMSA-N	1	1	355.486	2.038	10	10		FECEMO
Cc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(C)n1-c1ccccn1	ZINC000174318213	546294871	/nfs/dbraw/zinc/29/48/71/546294871.db2.gz	RGPHBFODYNAFQB-HZPDHXFCSA-N	1	1	356.470	2.016	10	10		FECEMO
Cc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c(C)n1-c1ccccn1	ZINC000174318213	546294875	/nfs/dbraw/zinc/29/48/75/546294875.db2.gz	RGPHBFODYNAFQB-HZPDHXFCSA-N	1	1	356.470	2.016	10	10		FECEMO
C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1[NH+]1CCOCC1	ZINC000175683532	546333589	/nfs/dbraw/zinc/33/35/89/546333589.db2.gz	KOEIUWWERLGCFF-FXAWDEMLSA-N	1	1	372.513	2.149	10	10		FECEMO
CC[C@H]1CN(C(=O)NCCCSc2nccs2)CC[N@H+]1C[C@H](C)O	ZINC000248489661	672857833	/nfs/dbraw/zinc/85/78/33/672857833.db2.gz	MYECQSCHYCFGBV-KBPBESRZSA-N	1	1	372.560	2.112	10	10		FECEMO
COc1cc(O)c(CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1OC	ZINC000160256664	546022951	/nfs/dbraw/zinc/02/29/51/546022951.db2.gz	GCQPVCJPRNEPOW-IBGZPJMESA-N	1	1	372.465	2.261	10	10		FECEMO
C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1[NH+]1CCOCC1	ZINC000175683514	546332977	/nfs/dbraw/zinc/33/29/77/546332977.db2.gz	KOEIUWWERLGCFF-YLJYHZDGSA-N	1	1	372.513	2.149	10	10		FECEMO
CCn1cc([C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)cn1	ZINC000191707370	548349046	/nfs/dbraw/zinc/34/90/46/548349046.db2.gz	JJYWFLRIFOUCRF-HXUWFJFHSA-N	1	1	356.470	2.313	10	10		FECEMO
CCn1cc([C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)cn1	ZINC000191707370	548349048	/nfs/dbraw/zinc/34/90/48/548349048.db2.gz	JJYWFLRIFOUCRF-HXUWFJFHSA-N	1	1	356.470	2.313	10	10		FECEMO
COc1cc(O)c(C[NH+]2CCN(Cc3cnc(C)s3)CC2)cc1OC	ZINC000160171572	546013856	/nfs/dbraw/zinc/01/38/56/546013856.db2.gz	LREWAFUOEHMSRF-UHFFFAOYSA-N	1	1	363.483	2.492	10	10		FECEMO
CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1	ZINC000190480668	548326219	/nfs/dbraw/zinc/32/62/19/548326219.db2.gz	ITWLLYDSWOBYSP-INIZCTEOSA-N	1	1	355.438	2.470	10	10		FECEMO
C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	ZINC000190480668	548326225	/nfs/dbraw/zinc/32/62/25/548326225.db2.gz	ITWLLYDSWOBYSP-INIZCTEOSA-N	1	1	355.438	2.470	10	10		FECEMO
C[N@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	ZINC000190480668	548326228	/nfs/dbraw/zinc/32/62/28/548326228.db2.gz	ITWLLYDSWOBYSP-INIZCTEOSA-N	1	1	355.438	2.470	10	10		FECEMO
CC[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[N@H+]1C[C@@H](C)O	ZINC000181982467	672436082	/nfs/dbraw/zinc/43/60/82/672436082.db2.gz	MYECQSCHYCFGBV-ZIAGYGMSSA-N	1	1	372.560	2.112	10	10		FECEMO
COc1cc(Br)cc(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1O	ZINC000245779047	672824445	/nfs/dbraw/zinc/82/44/45/672824445.db2.gz	TXUWSAPPSDFVOX-NEPJUHHUSA-N	1	1	373.291	2.050	10	10		FECEMO
CC[C@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC[N@H+]1CCOC	ZINC000121556321	671952172	/nfs/dbraw/zinc/95/21/72/671952172.db2.gz	IEMBKQAMFCSDSP-ZDUSSCGKSA-N	1	1	353.419	2.159	10	10		FECEMO
O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000171902118	672337298	/nfs/dbraw/zinc/33/72/98/672337298.db2.gz	HJKDLHBYRNPWOC-GOSISDBHSA-N	1	1	360.527	2.229	10	10		FECEMO
C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@@H]1N1CCOCC1	ZINC000180224110	547070074	/nfs/dbraw/zinc/07/00/74/547070074.db2.gz	BDBUCASWGVFBKW-DOMZBBRYSA-N	1	1	355.276	2.307	10	10		FECEMO
CC[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000184864816	547889016	/nfs/dbraw/zinc/88/90/16/547889016.db2.gz	DJYCGCYMMQRXBD-IEBWSBKVSA-N	1	1	374.529	2.273	10	10		FECEMO
CCOCC[N@H+]1CCN(Cc2cc(OC)c(OC)cc2O)C[C@H]1CC	ZINC000160257199	672289835	/nfs/dbraw/zinc/28/98/35/672289835.db2.gz	SUNMDYPLNJGHKJ-MRXNPFEDSA-N	1	1	352.475	2.342	10	10		FECEMO
CCOCCN1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C[C@H]1CC	ZINC000160257199	672289841	/nfs/dbraw/zinc/28/98/41/672289841.db2.gz	SUNMDYPLNJGHKJ-MRXNPFEDSA-N	1	1	352.475	2.342	10	10		FECEMO
CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)cc2=O	ZINC000114202697	543507552	/nfs/dbraw/zinc/50/75/52/543507552.db2.gz	OHODHBFGSHOENI-OAHLLOKOSA-N	1	1	370.413	2.062	10	10		FECEMO
CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)cc2=O	ZINC000114202697	543507555	/nfs/dbraw/zinc/50/75/55/543507555.db2.gz	OHODHBFGSHOENI-OAHLLOKOSA-N	1	1	370.413	2.062	10	10		FECEMO
CC[C@H]1CN(Cc2cc(Br)ccc2O)CC[N@H+]1C[C@@H](C)O	ZINC000120677266	671932304	/nfs/dbraw/zinc/93/23/04/671932304.db2.gz	YIJXORRZPWBCGR-DOMZBBRYSA-N	1	1	357.292	2.432	10	10		FECEMO
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000179515966	672402693	/nfs/dbraw/zinc/40/26/93/672402693.db2.gz	NTLUDPYHUCCDBX-LBPRGKRZSA-N	1	1	371.865	2.478	10	10		FECEMO
COc1cc(O)c(C[NH+]2CCN(Cc3c(C)nn(C)c3C)CC2)cc1OC	ZINC000160258317	546022489	/nfs/dbraw/zinc/02/24/89/546022489.db2.gz	XQFMZWWRHUKXNF-UHFFFAOYSA-N	1	1	374.485	2.078	10	10		FECEMO
CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1O	ZINC000177232366	672381393	/nfs/dbraw/zinc/38/13/93/672381393.db2.gz	CAAPMUDRZLLDPC-SJCJKPOMSA-N	1	1	352.862	2.401	10	10		FECEMO
Cc1cc(Br)cc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1O	ZINC000158028292	545814651	/nfs/dbraw/zinc/81/46/51/545814651.db2.gz	AXYDZZOVGANLTG-HNNXBMFYSA-N	1	1	355.276	2.370	10	10		FECEMO
C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000190635920	548330911	/nfs/dbraw/zinc/33/09/11/548330911.db2.gz	RVYNIKZZXDQZQV-SUQGKYDKSA-N	1	1	367.449	2.487	10	10		FECEMO
CC[C@H]1CN(Cc2cccc(Br)c2O)CC[N@@H+]1C[C@H](C)O	ZINC000245757048	672824060	/nfs/dbraw/zinc/82/40/60/672824060.db2.gz	OWWTYNKFRNWNQG-JSGCOSHPSA-N	1	1	357.292	2.432	10	10		FECEMO
CC[C@H]1CN(Cc2cccc(Br)c2O)CC[N@H+]1C[C@H](C)O	ZINC000245757048	672824063	/nfs/dbraw/zinc/82/40/63/672824063.db2.gz	OWWTYNKFRNWNQG-JSGCOSHPSA-N	1	1	357.292	2.432	10	10		FECEMO
COc1cc(O)c(CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1OC	ZINC000160256798	546023068	/nfs/dbraw/zinc/02/30/68/546023068.db2.gz	GCQPVCJPRNEPOW-LJQANCHMSA-N	1	1	372.465	2.261	10	10		FECEMO
CCn1cc(CN2CCC[N@@H+](Cc3cc(OC)c(OC)cc3O)CC2)cn1	ZINC000180112020	547053277	/nfs/dbraw/zinc/05/32/77/547053277.db2.gz	SQDLPCLQIDURLD-UHFFFAOYSA-N	1	1	374.485	2.334	10	10		FECEMO
CC(=O)c1cc(F)cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1[O-]	ZINC000175648325	546327606	/nfs/dbraw/zinc/32/76/06/546327606.db2.gz	ZBBILFVLFDDPOM-CYBMUJFWSA-N	1	1	352.450	2.259	10	10		FECEMO
Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c(O)c1O	ZINC000190595324	548329920	/nfs/dbraw/zinc/32/99/20/548329920.db2.gz	PDLALLVZXRMNKO-INIZCTEOSA-N	1	1	355.438	2.395	10	10		FECEMO
CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1	ZINC000248128423	549409803	/nfs/dbraw/zinc/40/98/03/549409803.db2.gz	OFIFODDIYYKMEN-GHTZIAJQSA-N	1	1	359.514	2.338	10	10		FECEMO
C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000175683498	546333603	/nfs/dbraw/zinc/33/36/03/546333603.db2.gz	KOEIUWWERLGCFF-PXNSSMCTSA-N	1	1	372.513	2.149	10	10		FECEMO
CC[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000181817899	547386289	/nfs/dbraw/zinc/38/62/89/547386289.db2.gz	NBGQLFOFYIJDFU-MJGOQNOKSA-N	1	1	372.513	2.049	10	10		FECEMO
CCOCC[N@H+]1CCN(Cc2cc(OC)c(OC)cc2O)C[C@@H]1CC	ZINC000160257326	672289775	/nfs/dbraw/zinc/28/97/75/672289775.db2.gz	SUNMDYPLNJGHKJ-INIZCTEOSA-N	1	1	352.475	2.342	10	10		FECEMO
CCOCCN1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C[C@@H]1CC	ZINC000160257326	672289781	/nfs/dbraw/zinc/28/97/81/672289781.db2.gz	SUNMDYPLNJGHKJ-INIZCTEOSA-N	1	1	352.475	2.342	10	10		FECEMO
COc1cc(Br)cc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1O	ZINC000120970941	543687326	/nfs/dbraw/zinc/68/73/26/543687326.db2.gz	OENIIUHUGZYMMQ-AWEZNQCLSA-N	1	1	371.275	2.070	10	10		FECEMO
COc1cc(O)c(C[N@H+]2CCCN(c3ccc(C)nn3)CC2)cc1OC	ZINC000180078452	547048068	/nfs/dbraw/zinc/04/80/68/547048068.db2.gz	MGWVCJDYYGIOGV-UHFFFAOYSA-N	1	1	358.442	2.220	10	10		FECEMO
CC[C@H]1CN(C(=O)NCCCSc2nccs2)CC[N@H+]1CCOC	ZINC000154626274	672219358	/nfs/dbraw/zinc/21/93/58/672219358.db2.gz	KNGFWZRPXLMSPF-AWEZNQCLSA-N	1	1	372.560	2.378	10	10		FECEMO
CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1	ZINC000152268467	544631661	/nfs/dbraw/zinc/63/16/61/544631661.db2.gz	XNTBZPQOOTYZNC-HXUWFJFHSA-N	1	1	368.481	2.259	10	10		FECEMO
CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1	ZINC000152268467	544631664	/nfs/dbraw/zinc/63/16/64/544631664.db2.gz	XNTBZPQOOTYZNC-HXUWFJFHSA-N	1	1	368.481	2.259	10	10		FECEMO
CC[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[N@H+]1CCOC	ZINC000154626165	672219298	/nfs/dbraw/zinc/21/92/98/672219298.db2.gz	KNGFWZRPXLMSPF-CQSZACIVSA-N	1	1	372.560	2.378	10	10		FECEMO
COc1cc(O)c(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)cc1OC	ZINC000180095555	547051546	/nfs/dbraw/zinc/05/15/46/547051546.db2.gz	KIIGPXMMHCHHDL-UHFFFAOYSA-N	1	1	374.485	2.202	10	10		FECEMO
O=C(c1cn(C[C@@H]2CCC[N@H+](Cc3ccccc3O)C2)nn1)N1CCCC1	ZINC000012079712	539542210	/nfs/dbraw/zinc/54/22/10/539542210.db2.gz	VTXNHVKCVUFUOS-MRXNPFEDSA-N	1	1	369.469	2.132	10	10		FECEMO
CNC(=O)c1ccn([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCN4C)C2)n1	ZINC000328630593	553799635	/nfs/dbraw/zinc/79/96/35/553799635.db2.gz	JOVYRNOBTRILDH-KRWDZBQOSA-N	1	1	353.470	2.072	10	10		FECEMO
CC[C@@H]1CN(Cc2cccc(Br)c2O)CC[N@@H+]1C[C@@H](C)O	ZINC000120731581	671933758	/nfs/dbraw/zinc/93/37/58/671933758.db2.gz	OWWTYNKFRNWNQG-TZMCWYRMSA-N	1	1	357.292	2.432	10	10		FECEMO
CC[C@@H]1CN(Cc2cccc(Br)c2O)CC[N@H+]1C[C@@H](C)O	ZINC000120731581	671933761	/nfs/dbraw/zinc/93/37/61/671933761.db2.gz	OWWTYNKFRNWNQG-TZMCWYRMSA-N	1	1	357.292	2.432	10	10		FECEMO
CC[C@@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC[N@H+]1CCOC	ZINC000121556170	671952157	/nfs/dbraw/zinc/95/21/57/671952157.db2.gz	IEMBKQAMFCSDSP-CYBMUJFWSA-N	1	1	353.419	2.159	10	10		FECEMO
Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)no1	ZINC000171406649	546207361	/nfs/dbraw/zinc/20/73/61/546207361.db2.gz	NSQLFJXTUKRUSE-QGZVFWFLSA-N	1	1	371.485	2.015	10	10		FECEMO
Cc1nc(C[C@H]2CCC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)no1	ZINC000171406649	546207365	/nfs/dbraw/zinc/20/73/65/546207365.db2.gz	NSQLFJXTUKRUSE-QGZVFWFLSA-N	1	1	371.485	2.015	10	10		FECEMO
CCn1cc(C[N@@H+]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)cn1	ZINC000180758643	547175177	/nfs/dbraw/zinc/17/51/77/547175177.db2.gz	KTGUZTUFVBZFRE-FNORWQNLSA-N	1	1	370.453	2.062	10	10		FECEMO
CCn1cc(C[N@H+]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)cn1	ZINC000180758643	547175182	/nfs/dbraw/zinc/17/51/82/547175182.db2.gz	KTGUZTUFVBZFRE-FNORWQNLSA-N	1	1	370.453	2.062	10	10		FECEMO
CC(C)(C)n1cc(CN2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)cn1	ZINC000113924740	543498515	/nfs/dbraw/zinc/49/85/15/543498515.db2.gz	QIRKDTQWDVFWQG-UHFFFAOYSA-N	1	1	372.469	2.390	10	10		FECEMO
CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)cc2=O	ZINC000114202699	543507516	/nfs/dbraw/zinc/50/75/16/543507516.db2.gz	OHODHBFGSHOENI-HNNXBMFYSA-N	1	1	370.413	2.062	10	10		FECEMO
CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCCC[C@H]1c1cn[nH]c1)cc2=O	ZINC000114202699	543507518	/nfs/dbraw/zinc/50/75/18/543507518.db2.gz	OHODHBFGSHOENI-HNNXBMFYSA-N	1	1	370.413	2.062	10	10		FECEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1	ZINC000132411493	544230085	/nfs/dbraw/zinc/23/00/85/544230085.db2.gz	CIMCPRVGQJMAOL-XLIONFOSSA-N	1	1	374.529	2.393	10	10		FECEMO
C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000120202947	543677201	/nfs/dbraw/zinc/67/72/01/543677201.db2.gz	XYLJJPFEENKLIE-HXUWFJFHSA-N	1	1	367.497	2.414	10	10		FECEMO
COc1cc(O)c(C[N@@H+]2CCO[C@H](Cn3nc(C)cc3C)C2)cc1OC	ZINC000160261794	546023088	/nfs/dbraw/zinc/02/30/88/546023088.db2.gz	GRYYOVVNYSLSGF-INIZCTEOSA-N	1	1	361.442	2.124	10	10		FECEMO
COc1cc(O)c(C[N@H+]2CCO[C@H](Cn3nc(C)cc3C)C2)cc1OC	ZINC000160261794	546023092	/nfs/dbraw/zinc/02/30/92/546023092.db2.gz	GRYYOVVNYSLSGF-INIZCTEOSA-N	1	1	361.442	2.124	10	10		FECEMO
Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000178316798	546774767	/nfs/dbraw/zinc/77/47/67/546774767.db2.gz	XIPIBKWFZPNZHA-FQEVSTJZSA-N	1	1	369.513	2.381	10	10		FECEMO
CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1	ZINC000248128429	549409675	/nfs/dbraw/zinc/40/96/75/549409675.db2.gz	OFIFODDIYYKMEN-RXVVDRJESA-N	1	1	359.514	2.338	10	10		FECEMO
COc1cc(Br)cc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1O	ZINC000120583196	671929352	/nfs/dbraw/zinc/92/93/52/671929352.db2.gz	TXUWSAPPSDFVOX-VXGBXAGGSA-N	1	1	373.291	2.050	10	10		FECEMO
COc1cc(Br)cc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1O	ZINC000245779054	672824633	/nfs/dbraw/zinc/82/46/33/672824633.db2.gz	TXUWSAPPSDFVOX-RYUDHWBXSA-N	1	1	373.291	2.050	10	10		FECEMO
CN(Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1	ZINC000190480686	548326045	/nfs/dbraw/zinc/32/60/45/548326045.db2.gz	ITWLLYDSWOBYSP-MRXNPFEDSA-N	1	1	355.438	2.470	10	10		FECEMO
C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	ZINC000190480686	548326047	/nfs/dbraw/zinc/32/60/47/548326047.db2.gz	ITWLLYDSWOBYSP-MRXNPFEDSA-N	1	1	355.438	2.470	10	10		FECEMO
C[N@H+](Cc1cccnc1)C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	ZINC000190480686	548326054	/nfs/dbraw/zinc/32/60/54/548326054.db2.gz	ITWLLYDSWOBYSP-MRXNPFEDSA-N	1	1	355.438	2.470	10	10		FECEMO
CC[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000184864836	547889051	/nfs/dbraw/zinc/88/90/51/547889051.db2.gz	DJYCGCYMMQRXBD-MJGOQNOKSA-N	1	1	374.529	2.273	10	10		FECEMO
C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccc(F)cc1O	ZINC000702763078	673058775	/nfs/dbraw/zinc/05/87/75/673058775.db2.gz	LWICEPZIKYKSOO-OZVIIMIRSA-N	1	1	354.422	2.410	10	10		FECEMO
O=C(c1cn(C[C@H]2CCC[N@H+](Cc3ccccc3O)C2)nn1)N1CCCC1	ZINC000012079713	539541606	/nfs/dbraw/zinc/54/16/06/539541606.db2.gz	VTXNHVKCVUFUOS-INIZCTEOSA-N	1	1	369.469	2.132	10	10		FECEMO
C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000175683479	546333463	/nfs/dbraw/zinc/33/34/63/546333463.db2.gz	KOEIUWWERLGCFF-XLIONFOSSA-N	1	1	372.513	2.149	10	10		FECEMO
C[C@H]1C[N@H+](Cc2cccc(Br)c2O)C[C@H]1N1CCOCC1	ZINC000245784939	672824480	/nfs/dbraw/zinc/82/44/80/672824480.db2.gz	VABBIJHXLARSKF-SWLSCSKDSA-N	1	1	355.276	2.307	10	10		FECEMO
C[C@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@H]1N1CCOCC1	ZINC000245784939	672824488	/nfs/dbraw/zinc/82/44/88/672824488.db2.gz	VABBIJHXLARSKF-SWLSCSKDSA-N	1	1	355.276	2.307	10	10		FECEMO
COCC[N@H+]1CCN(Cc2cc(Br)cc(OC)c2O)C[C@@H]1C	ZINC000120787831	671935442	/nfs/dbraw/zinc/93/54/42/671935442.db2.gz	PAGNLVJKFMSNEI-LBPRGKRZSA-N	1	1	373.291	2.316	10	10		FECEMO
CCOCC[N@@H+]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C	ZINC000121555996	671952141	/nfs/dbraw/zinc/95/21/41/671952141.db2.gz	QEARBRRAAQVDBN-ZDUSSCGKSA-N	1	1	353.419	2.159	10	10		FECEMO
CCOCC[N@H+]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C	ZINC000121555996	671952142	/nfs/dbraw/zinc/95/21/42/671952142.db2.gz	QEARBRRAAQVDBN-ZDUSSCGKSA-N	1	1	353.419	2.159	10	10		FECEMO
COc1cc(O)c(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1OC	ZINC000180079097	547047677	/nfs/dbraw/zinc/04/76/77/547047677.db2.gz	ASBGOOCRYSCVQV-HNNXBMFYSA-N	1	1	358.442	2.300	10	10		FECEMO
COc1cc(Cl)cc(C[N@H+]2CCCN(Cc3noc(C)n3)CC2)c1O	ZINC000184670564	547863945	/nfs/dbraw/zinc/86/39/45/547863945.db2.gz	DDWOIGOJUAZIOD-UHFFFAOYSA-N	1	1	366.849	2.454	10	10		FECEMO
CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1	ZINC000106394664	543227993	/nfs/dbraw/zinc/22/79/93/543227993.db2.gz	WGTWPTREIGJRTM-KRWDZBQOSA-N	1	1	356.470	2.018	10	10		FECEMO
Cc1ccc(C(=O)c2coc3ccc(O)c(C[NH+](CCO)CCO)c23)cc1	ZINC000004653922	539389390	/nfs/dbraw/zinc/38/93/90/539389390.db2.gz	KPOKWMXYPLBMIR-UHFFFAOYSA-N	1	1	369.417	2.464	10	10		FECEMO
CC[C@H]1CN(Cc2cccc(Br)c2O)CC[N@@H+]1C[C@@H](C)O	ZINC000120731732	671933858	/nfs/dbraw/zinc/93/38/58/671933858.db2.gz	OWWTYNKFRNWNQG-OCCSQVGLSA-N	1	1	357.292	2.432	10	10		FECEMO
CC[C@H]1CN(Cc2cccc(Br)c2O)CC[N@H+]1C[C@@H](C)O	ZINC000120731732	671933861	/nfs/dbraw/zinc/93/38/61/671933861.db2.gz	OWWTYNKFRNWNQG-OCCSQVGLSA-N	1	1	357.292	2.432	10	10		FECEMO
C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(c2cccnn2)C1	ZINC000120203105	543677081	/nfs/dbraw/zinc/67/70/81/543677081.db2.gz	XYLJJPFEENKLIE-FQEVSTJZSA-N	1	1	367.497	2.414	10	10		FECEMO
Cc1cc(Cl)cc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)c1O	ZINC000180081549	547048652	/nfs/dbraw/zinc/04/86/52/547048652.db2.gz	NUKHHGQPIRWZPC-UHFFFAOYSA-N	1	1	358.833	2.114	10	10		FECEMO
CC[C@@H]1CN(Cc2cc(Br)ccc2O)CC[N@H+]1C[C@@H](C)O	ZINC000120677099	671932495	/nfs/dbraw/zinc/93/24/95/671932495.db2.gz	YIJXORRZPWBCGR-IUODEOHRSA-N	1	1	357.292	2.432	10	10		FECEMO