smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1ccc(I)cc1S(=O)([O-])=NC(=O)Nc1nc(C)nc(OC)n1	ZINC000002526773	552127367	/nfs/dbraw/zinc/12/73/67/552127367.db2.gz	VWGAYSCWLXQJBQ-UHFFFAOYSA-N	-1	0	507.266	1.295	50	30	in-vitro	KDEARM
C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC(=O)[O-])C3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000002665660	552151529	/nfs/dbraw/zinc/15/15/29/552151529.db2.gz	GPZXHHVMTRUILW-UGUGFTGJSA-N	-1	0	545.573	1.774	50	30		KDEARM
C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC(=O)[O-])C3=O)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000002665662	552151527	/nfs/dbraw/zinc/15/15/27/552151527.db2.gz	GPZXHHVMTRUILW-FEYWKWKCSA-N	-1	0	545.573	1.774	50	30		KDEARM
CN(C)S(=O)(=O)c1cccc(C(=O)NC(=S)N[N-]S(=O)(=O)c2ccc(Br)cc2)c1	ZINC000003262418	552327037	/nfs/dbraw/zinc/32/70/37/552327037.db2.gz	PBAOXXZQKIBWLD-UHFFFAOYSA-N	-1	0	521.440	1.609	50	30		KDEARM
Cc1ccc(C)c(S(=O)(=O)[N-]NC(=S)NC(=O)C=Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	ZINC000003305830	552348985	/nfs/dbraw/zinc/34/89/85/552348985.db2.gz	GHVKUXXTNBOQPO-JXMROGBWSA-N	-1	0	538.673	1.633	50	30		KDEARM
COc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](CC(N)=O)C(=O)[O-])ccc3C2=O)c(OC)c1OC	ZINC000008790541	553146562	/nfs/dbraw/zinc/14/65/62/553146562.db2.gz	UEOWMRCJIMMKLF-VHXYRJIDSA-N	-1	0	500.460	1.152	50	30	biogenic	KDEARM
COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-])ccc2C1=O	ZINC000008790947	553146848	/nfs/dbraw/zinc/14/68/48/553146848.db2.gz	DSJMQJHLHVGIOM-JRLSWLOKSA-N	-1	0	514.487	1.542	50	30	biogenic	KDEARM
[O-]c1c(Br)cc(C=NN=c2nc(N3CCOCC3)[nH]c(N3CCOCC3)n2)c(O)c1Br	ZINC000008872057	553172209	/nfs/dbraw/zinc/17/22/09/553172209.db2.gz	ABBKTIUGXAVZBT-UFFVCSGVSA-N	-1	0	559.219	1.927	50	30		KDEARM
[O-]c1c(I)cc(I)cc1C=NN=c1nc(N2CCOCC2)[nH]c(N2CCOCC2)n1	ZINC000008872351	553173146	/nfs/dbraw/zinc/17/31/46/553173146.db2.gz	UYMJUSWQEMSXTL-SRZZPIQSSA-N	-1	0	637.220	1.906	50	30		KDEARM
COc1cc(/C=C2\Oc3cc(OCC(=O)N[C@H](CC(N)=O)C(=O)[O-])ccc3C2=O)cc(OC)c1OC	ZINC000008876746	553175306	/nfs/dbraw/zinc/17/53/06/553175306.db2.gz	ZAECPEXIJGZUAX-OWFUZHBCSA-N	-1	0	500.460	1.152	50	30	biogenic	KDEARM
COc1cc(/C=C2\Oc3cc(OCC(=O)N[C@@H](CC(N)=O)C(=O)[O-])ccc3C2=O)cc(OC)c1OC	ZINC000008876780	553175520	/nfs/dbraw/zinc/17/55/20/553175520.db2.gz	ZAECPEXIJGZUAX-XPYBEWACSA-N	-1	0	500.460	1.152	50	30	biogenic	KDEARM
COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1/C=C/C(=O)c1c([O-])n(C)c(=O)n(C)c1=O)OCO2	ZINC000008917985	553187322	/nfs/dbraw/zinc/18/73/22/553187322.db2.gz	PKSFWNFYRFQSQU-ZHACJKMWSA-N	-1	0	521.526	1.738	50	30	biogenic	KDEARM
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)[O-]	ZINC000012879272	553425256	/nfs/dbraw/zinc/42/52/56/553425256.db2.gz	ZXEULDJSILFOED-LXRDHYAESA-N	-1	0	517.575	1.522	50	30	biogenic	KDEARM
COc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@H](CC(N)=O)C(=O)[O-])ccc3C2=O)c(OC)c1OC	ZINC000012883621	553425734	/nfs/dbraw/zinc/42/57/34/553425734.db2.gz	UEOWMRCJIMMKLF-OADJVDCOSA-N	-1	0	500.460	1.152	50	30	biogenic	KDEARM
COc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-])ccc3C2=O)c(OC)c1OC	ZINC000012884304	553425993	/nfs/dbraw/zinc/42/59/93/553425993.db2.gz	WHXJYHQMSFMAEO-WSLMLHKMSA-N	-1	0	514.487	1.542	50	30	biogenic	KDEARM
N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)CC1	ZINC000013134506	553452288	/nfs/dbraw/zinc/45/22/88/553452288.db2.gz	QLDHNCHEHBDCLG-UHFFFAOYSA-N	-1	0	514.379	1.714	50	30		KDEARM
O=c1[n-]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000033864901	553975481	/nfs/dbraw/zinc/97/54/81/553975481.db2.gz	KUGJPYIIQHQEJQ-UAKXSSHOSA-N	-1	0	562.235	1.343	50	30		KDEARM
C=CCCOc1ccc(-c2nnc(CCC(=O)N3CCN(CC(=O)N4CCCC4)CC3)c(=O)[n-]2)cc1OC	ZINC000034767449	554002992	/nfs/dbraw/zinc/00/29/92/554002992.db2.gz	ZXYOZTVFWYEBGE-UHFFFAOYSA-N	-1	0	524.622	1.907	50	30		KDEARM
O=[N+]([O-])c1cc(Br)c([O-])c(C=NN=c2nc(N3CCOCC3)[nH]c(N3CCOCC3)n2)c1	ZINC000038169142	554273979	/nfs/dbraw/zinc/27/39/79/554273979.db2.gz	ICEBGXPYWDKHRT-RGVLZGJSSA-N	-1	0	509.321	1.367	50	30		KDEARM
O=[N+]([O-])c1cc(Br)cc(C=NN=c2nc(N3CCOCC3)[nH]c(N3CCOCC3)n2)c1[O-]	ZINC000038176975	554273969	/nfs/dbraw/zinc/27/39/69/554273969.db2.gz	AICCUHRSYKXTSJ-RGVLZGJSSA-N	-1	0	509.321	1.367	50	30		KDEARM
CCC[C@H](NC(=O)[C@@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070692078	553609356	/nfs/dbraw/zinc/60/93/56/553609356.db2.gz	OSMRXGFGPXOGSO-GBJFMVSDSA-N	-1	0	632.751	1.987	50	30	biogenic	KDEARM
CCC[C@@H](NC(=O)[C@@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070692079	553609322	/nfs/dbraw/zinc/60/93/22/553609322.db2.gz	OSMRXGFGPXOGSO-AOGABJORSA-N	-1	0	632.751	1.987	50	30	biogenic	KDEARM
CCC[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070692080	553609367	/nfs/dbraw/zinc/60/93/67/553609367.db2.gz	OSMRXGFGPXOGSO-ZAICJESQSA-N	-1	0	632.751	1.987	50	30	biogenic	KDEARM
CCC[C@@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070692081	553609338	/nfs/dbraw/zinc/60/93/38/553609338.db2.gz	OSMRXGFGPXOGSO-KTJSDUTQSA-N	-1	0	632.751	1.987	50	30	biogenic	KDEARM
C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000070692082	553609301	/nfs/dbraw/zinc/60/93/01/553609301.db2.gz	WOUOTTYQWSFPBE-GUDCMXINSA-N	-1	0	531.602	1.910	50	30	biogenic	KDEARM
C[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000070692083	553609304	/nfs/dbraw/zinc/60/93/04/553609304.db2.gz	WOUOTTYQWSFPBE-DISKYHEGSA-N	-1	0	531.602	1.910	50	30	biogenic	KDEARM
CC(C)[C@H](NC(=O)CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070692208	553610182	/nfs/dbraw/zinc/61/01/82/553610182.db2.gz	ALWHFVLEVMTSPE-PLLVJNRDSA-N	-1	0	618.724	1.454	50	30	biogenic	KDEARM
CC(C)[C@@H](NC(=O)CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070692209	553610161	/nfs/dbraw/zinc/61/01/61/553610161.db2.gz	ALWHFVLEVMTSPE-JXYNLBINSA-N	-1	0	618.724	1.454	50	30	biogenic	KDEARM
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CS)C(=O)[O-]	ZINC000070692218	553610344	/nfs/dbraw/zinc/61/03/44/553610344.db2.gz	LRGJJVGQFYZUIF-FTAMWEBHSA-N	-1	0	563.669	1.820	50	30	biogenic	KDEARM
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](CS)C(=O)[O-]	ZINC000070692219	553610316	/nfs/dbraw/zinc/61/03/16/553610316.db2.gz	LRGJJVGQFYZUIF-RAJSWWHNSA-N	-1	0	563.669	1.820	50	30	biogenic	KDEARM
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000070692240	553610280	/nfs/dbraw/zinc/61/02/80/553610280.db2.gz	SACMVAKZDXPVPG-OXYCEMGZSA-N	-1	0	573.639	1.367	50	30	biogenic	KDEARM
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000070692241	553610295	/nfs/dbraw/zinc/61/02/95/553610295.db2.gz	SACMVAKZDXPVPG-IFXGMEADSA-N	-1	0	573.639	1.367	50	30	biogenic	KDEARM
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000070692242	553610349	/nfs/dbraw/zinc/61/03/49/553610349.db2.gz	SACMVAKZDXPVPG-PNHCHRGVSA-N	-1	0	573.639	1.367	50	30	biogenic	KDEARM
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000070692243	553610324	/nfs/dbraw/zinc/61/03/24/553610324.db2.gz	SACMVAKZDXPVPG-XPXUCPKLSA-N	-1	0	573.639	1.367	50	30	biogenic	KDEARM
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000070692301	553610907	/nfs/dbraw/zinc/61/09/07/553610907.db2.gz	BTDCLMSOBQHKFV-HAQKLIRRSA-N	-1	0	574.671	1.977	50	30	biogenic	KDEARM
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](CCC(N)=O)C(=O)[O-]	ZINC000070692302	553610854	/nfs/dbraw/zinc/61/08/54/553610854.db2.gz	BTDCLMSOBQHKFV-JUQIERFQSA-N	-1	0	574.671	1.977	50	30	biogenic	KDEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CS)C(=O)[O-]	ZINC000070692334	553611163	/nfs/dbraw/zinc/61/11/63/553611163.db2.gz	HFFSTHNVLCSKNL-JWISIDMESA-N	-1	0	565.685	1.612	50	30	biogenic	KDEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](CS)C(=O)[O-]	ZINC000070692335	553611216	/nfs/dbraw/zinc/61/12/16/553611216.db2.gz	HFFSTHNVLCSKNL-KZZVKYJQSA-N	-1	0	565.685	1.612	50	30	biogenic	KDEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)[C@H](O)C(=O)[O-]	ZINC000070692352	553611149	/nfs/dbraw/zinc/61/11/49/553611149.db2.gz	RVKXSEZVPIPQIO-VZJMFGAGSA-N	-1	0	591.698	1.701	50	30	biogenic	KDEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)[C@@H](O)C(=O)[O-]	ZINC000070692353	553611165	/nfs/dbraw/zinc/61/11/65/553611165.db2.gz	RVKXSEZVPIPQIO-NSDRJKMKSA-N	-1	0	591.698	1.701	50	30	biogenic	KDEARM
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CO)C(=O)[O-]	ZINC000070697071	553612239	/nfs/dbraw/zinc/61/22/39/553612239.db2.gz	RESORBICGDCNNU-SBYYXLJASA-N	-1	0	533.618	1.704	50	30	biogenic	KDEARM
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](CO)C(=O)[O-]	ZINC000070697077	553612248	/nfs/dbraw/zinc/61/22/48/553612248.db2.gz	RESORBICGDCNNU-NSUAHFFNSA-N	-1	0	533.618	1.704	50	30	biogenic	KDEARM
C[C@H](O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070697772	553613393	/nfs/dbraw/zinc/61/33/93/553613393.db2.gz	INQIXVVMORTGSU-ZHHGCIKJSA-N	-1	0	563.644	1.063	50	30	biogenic	KDEARM
C[C@@H](O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070697778	553613408	/nfs/dbraw/zinc/61/34/08/553613408.db2.gz	INQIXVVMORTGSU-NCZFYBCOSA-N	-1	0	563.644	1.063	50	30	biogenic	KDEARM
C[C@H](O)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070697781	553613414	/nfs/dbraw/zinc/61/34/14/553613414.db2.gz	INQIXVVMORTGSU-VRGZETEBSA-N	-1	0	563.644	1.063	50	30	biogenic	KDEARM
C[C@@H](O)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070697786	553613402	/nfs/dbraw/zinc/61/34/02/553613402.db2.gz	INQIXVVMORTGSU-JLFHNEJMSA-N	-1	0	563.644	1.063	50	30	biogenic	KDEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)[O-]	ZINC000070697887	553613388	/nfs/dbraw/zinc/61/33/88/553613388.db2.gz	DKVKLDLZLZPOQA-DUEXNZGUSA-N	-1	0	519.591	1.314	50	30	biogenic	KDEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)[C@H](O)C(=O)[O-]	ZINC000070698009	553613553	/nfs/dbraw/zinc/61/35/53/553613553.db2.gz	QBTCPPVLMDFLMU-CUGBYWJHSA-N	-1	0	589.682	1.909	50	30	biogenic	KDEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)[C@@H](O)C(=O)[O-]	ZINC000070698013	553613569	/nfs/dbraw/zinc/61/35/69/553613569.db2.gz	QBTCPPVLMDFLMU-YRKZZZAXSA-N	-1	0	589.682	1.909	50	30	biogenic	KDEARM
C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070698116	553613897	/nfs/dbraw/zinc/61/38/97/553613897.db2.gz	HAZIQSRGUCLJBT-WWIHVYHZSA-N	-1	0	531.602	1.478	50	30	biogenic	KDEARM
C[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070698118	553613928	/nfs/dbraw/zinc/61/39/28/553613928.db2.gz	HAZIQSRGUCLJBT-STNLGWHOSA-N	-1	0	531.602	1.478	50	30	biogenic	KDEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)[C@H](O)C(=O)[O-]	ZINC000070698401	553614141	/nfs/dbraw/zinc/61/41/41/553614141.db2.gz	FDGAMRAWLJULKY-VZJMFGAGSA-N	-1	0	589.682	1.477	50	30	biogenic	KDEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)[C@@H](O)C(=O)[O-]	ZINC000070698405	553614156	/nfs/dbraw/zinc/61/41/56/553614156.db2.gz	FDGAMRAWLJULKY-NSDRJKMKSA-N	-1	0	589.682	1.477	50	30	biogenic	KDEARM
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000070698470	553614489	/nfs/dbraw/zinc/61/44/89/553614489.db2.gz	AEFRIPKQXQSQCE-DAONOPKXSA-N	-1	0	588.654	1.156	50	30	biogenic	KDEARM
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](CCC(N)=O)C(=O)[O-]	ZINC000070698472	553614405	/nfs/dbraw/zinc/61/44/05/553614405.db2.gz	AEFRIPKQXQSQCE-FOJGTCTBSA-N	-1	0	588.654	1.156	50	30	biogenic	KDEARM
C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070698631	553614805	/nfs/dbraw/zinc/61/48/05/553614805.db2.gz	CFLCVZYYLWQWQG-WWIHVYHZSA-N	-1	0	533.618	1.702	50	30	biogenic	KDEARM
C[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070698633	553614750	/nfs/dbraw/zinc/61/47/50/553614750.db2.gz	CFLCVZYYLWQWQG-STNLGWHOSA-N	-1	0	533.618	1.702	50	30	biogenic	KDEARM
C[C@H](O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000070698753	553614975	/nfs/dbraw/zinc/61/49/75/553614975.db2.gz	FSMVAOYEDATITI-GMNFYVRTSA-N	-1	0	561.628	1.271	50	30	biogenic	KDEARM
C[C@@H](O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000070698756	553614994	/nfs/dbraw/zinc/61/49/94/553614994.db2.gz	FSMVAOYEDATITI-COYPZXFVSA-N	-1	0	561.628	1.271	50	30	biogenic	KDEARM
C[C@H](O)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000070698758	553614971	/nfs/dbraw/zinc/61/49/71/553614971.db2.gz	FSMVAOYEDATITI-QYECHVCZSA-N	-1	0	561.628	1.271	50	30	biogenic	KDEARM
C[C@@H](O)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000070698760	553614968	/nfs/dbraw/zinc/61/49/68/553614968.db2.gz	FSMVAOYEDATITI-CBKWSJQBSA-N	-1	0	561.628	1.271	50	30	biogenic	KDEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000070698785	553614998	/nfs/dbraw/zinc/61/49/98/553614998.db2.gz	CJFWJTZSFGXLCL-VUEPXDBOSA-N	-1	0	557.640	1.964	50	30	biogenic	KDEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000070698794	553614922	/nfs/dbraw/zinc/61/49/22/553614922.db2.gz	CJFWJTZSFGXLCL-IJJOSXPWSA-N	-1	0	557.640	1.964	50	30	biogenic	KDEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000070698882	553615018	/nfs/dbraw/zinc/61/50/18/553615018.db2.gz	JAXNGXDDJMTFDU-GDFBUDNYSA-N	-1	0	575.655	1.159	50	30	biogenic	KDEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000070698887	553615002	/nfs/dbraw/zinc/61/50/02/553615002.db2.gz	JAXNGXDDJMTFDU-XNBARSSYSA-N	-1	0	575.655	1.159	50	30	biogenic	KDEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000070698893	553614965	/nfs/dbraw/zinc/61/49/65/553614965.db2.gz	JAXNGXDDJMTFDU-XOKXCNQSSA-N	-1	0	575.655	1.159	50	30	biogenic	KDEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000070698897	553615042	/nfs/dbraw/zinc/61/50/42/553615042.db2.gz	JAXNGXDDJMTFDU-PXVCIFKISA-N	-1	0	575.655	1.159	50	30	biogenic	KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)NCC(C)(C)[C@H](O)C(=O)[O-]	ZINC000079216761	553671292	/nfs/dbraw/zinc/67/12/92/553671292.db2.gz	MTBFHORQMJSTRY-NCRMUOTGSA-N	-1	0	690.831	1.841	50	30	biogenic	KDEARM
CC(C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)NCC(C)(C)[C@H](O)C(=O)[O-]	ZINC000079216764	553671308	/nfs/dbraw/zinc/67/13/08/553671308.db2.gz	MTBFHORQMJSTRY-VLQPFODXSA-N	-1	0	690.831	1.841	50	30	biogenic	KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)NCC(C)(C)[C@@H](O)C(=O)[O-]	ZINC000079216767	553671290	/nfs/dbraw/zinc/67/12/90/553671290.db2.gz	MTBFHORQMJSTRY-BJCXEGHASA-N	-1	0	690.831	1.841	50	30	biogenic	KDEARM
CC(C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)NCC(C)(C)[C@@H](O)C(=O)[O-]	ZINC000079216769	553671240	/nfs/dbraw/zinc/67/12/40/553671240.db2.gz	MTBFHORQMJSTRY-PQAIMAEFSA-N	-1	0	690.831	1.841	50	30	biogenic	KDEARM
CSCC[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000079216807	553671335	/nfs/dbraw/zinc/67/13/35/553671335.db2.gz	LXGZVGMIWXLECK-ZAICJESQSA-N	-1	0	664.818	1.940	50	30	biogenic	KDEARM
CSCC[C@H](NC(=O)[C@@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000079216809	553671248	/nfs/dbraw/zinc/67/12/48/553671248.db2.gz	LXGZVGMIWXLECK-GBJFMVSDSA-N	-1	0	664.818	1.940	50	30	biogenic	KDEARM
CSCC[C@@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000079216811	553671312	/nfs/dbraw/zinc/67/13/12/553671312.db2.gz	LXGZVGMIWXLECK-KTJSDUTQSA-N	-1	0	664.818	1.940	50	30	biogenic	KDEARM
CSCC[C@@H](NC(=O)[C@@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000079216812	553671301	/nfs/dbraw/zinc/67/13/01/553671301.db2.gz	LXGZVGMIWXLECK-AOGABJORSA-N	-1	0	664.818	1.940	50	30	biogenic	KDEARM
C=CCN1C(=O)[N-]C(=O)C(=C(CC)Nc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O	ZINC000097968048	553926963	/nfs/dbraw/zinc/92/69/63/553926963.db2.gz	GYACFQFRMFWJAG-WENBPLFZSA-N	-1	0	534.573	1.589	50	30		KDEARM
C=CCN1C(=O)[N-]C(=O)C(=C(CC)Nc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O	ZINC000097968049	553927029	/nfs/dbraw/zinc/92/70/29/553927029.db2.gz	GYACFQFRMFWJAG-ZMESVYRVSA-N	-1	0	534.573	1.589	50	30		KDEARM
O=C1C=C/C(=C(\c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(Cl)c2)c2ccccc2S(=O)(=O)[O-])C=C1Cl	ZINC000100056982	554196744	/nfs/dbraw/zinc/19/67/44/554196744.db2.gz	YOUWVNCQJOMMEU-AETRGLENSA-N	-1	0	585.414	1.829	50	30		KDEARM
CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)(c1nc(C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])[n-]c(=NN)n1)[N+](=O)[O-]	ZINC000100075432	554204171	/nfs/dbraw/zinc/20/41/71/554204171.db2.gz	IHLWMOVLLFRHCW-UHFFFAOYSA-N	-1	0	629.624	1.468	50	30		KDEARM
O=C(CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc21)ON1C(=O)C[C@H](S(=O)(=O)[O-])C1=O	ZINC000101772471	554837586	/nfs/dbraw/zinc/83/75/86/554837586.db2.gz	MYURKGWESBEECH-NRFANRHFSA-N	-1	0	510.524	1.967	50	30		KDEARM
O=C(CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc21)ON1C(=O)C[C@@H](S(=O)(=O)[O-])C1=O	ZINC000101772473	554837698	/nfs/dbraw/zinc/83/76/98/554837698.db2.gz	MYURKGWESBEECH-OAQYLSRUSA-N	-1	0	510.524	1.967	50	30		KDEARM
COC(=O)[C@H]1C(c2ccc(OC)cc2)[C@H](C(=O)OC)S(=O)(=O)C(=N[N-]c2ccc(C)cc2[N+](=O)[O-])S1(=O)=O	ZINC000102479547	554937085	/nfs/dbraw/zinc/93/70/85/554937085.db2.gz	NCCMNKBJPPKWGU-OMKBGSMGSA-N	-1	0	569.570	1.305	50	30		KDEARM
COC(=O)[C@@H]1C(c2ccc(OC)cc2)[C@@H](C(=O)OC)S(=O)(=O)C(=N[N-]c2ccc(C)cc2[N+](=O)[O-])S1(=O)=O	ZINC000102479550	554937058	/nfs/dbraw/zinc/93/70/58/554937058.db2.gz	NCCMNKBJPPKWGU-MNNMKWMVSA-N	-1	0	569.570	1.305	50	30		KDEARM
COCCCN1C(=O)C(=O)C(=C([O-])c2cccc(S(=O)(=O)N(C)C)c2)[C@]12c1ccccc1N(C)C2=O	ZINC000102888204	555121202	/nfs/dbraw/zinc/12/12/02/555121202.db2.gz	FDGSERYHDNJIFJ-BAVOEBSPSA-N	-1	0	513.572	1.526	50	30		KDEARM
COCCCN1C(=O)C(=O)C(=C([O-])c2cccc(S(=O)(=O)N(C)C)c2)[C@@]12c1ccccc1N(C)C2=O	ZINC000102888206	555121181	/nfs/dbraw/zinc/12/11/81/555121181.db2.gz	FDGSERYHDNJIFJ-IFDPLDCXSA-N	-1	0	513.572	1.526	50	30		KDEARM
COCCCN1C(=O)C(=O)C(=C([O-])c2ccc(S(=O)(=O)N(C)C)cc2)[C@]12c1ccccc1N(C)C2=O	ZINC000102891942	555128123	/nfs/dbraw/zinc/12/81/23/555128123.db2.gz	UZVKUFAKCFPMOW-BAVOEBSPSA-N	-1	0	513.572	1.526	50	30		KDEARM
COCCCN1C(=O)C(=O)C(=C([O-])c2ccc(S(=O)(=O)N(C)C)cc2)[C@@]12c1ccccc1N(C)C2=O	ZINC000102891944	555128146	/nfs/dbraw/zinc/12/81/46/555128146.db2.gz	UZVKUFAKCFPMOW-IFDPLDCXSA-N	-1	0	513.572	1.526	50	30		KDEARM
Cn1c(NN=Cc2cc(I)cc(I)c2[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000102932266	555159745	/nfs/dbraw/zinc/15/97/45/555159745.db2.gz	AJKXSOFNTJRXEF-NGYBGAFCSA-N	-1	0	580.124	1.332	50	30		KDEARM
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC[C@H](C(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc21)S(=O)(=O)[O-]	ZINC000150367564	571465029	/nfs/dbraw/zinc/46/50/29/571465029.db2.gz	XDEWKDCHVSWNBX-FWPHEPGVSA-N	-1	0	653.783	1.538	50	30		KDEARM
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC[C@@H](C(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc21)S(=O)(=O)[O-]	ZINC000150367566	571465035	/nfs/dbraw/zinc/46/50/35/571465035.db2.gz	XDEWKDCHVSWNBX-LSGWAJPXSA-N	-1	0	653.783	1.538	50	30		KDEARM
O=C([O-])c1cccc(S(=O)(=O)ON2C(=O)c3cccc4cc(S(=O)(=O)N5CCOCC5)cc(c43)C2=O)c1	ZINC000198696759	571568537	/nfs/dbraw/zinc/56/85/37/571568537.db2.gz	WOEMXYVIGZDUBU-UHFFFAOYSA-N	-1	0	546.535	1.475	50	30		KDEARM
COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2ccc3c(c2)n(C)c(=O)n3C)C(=O)C1=O	ZINC000218013993	1066356540	/nfs/dbraw/zinc/35/65/40/1066356540.db2.gz	PNGOEJFLDUYXOO-QZTJIDSGSA-N	-1	0	632.626	1.837	50	30		KDEARM
COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)C1C(=O)C(=O)C([C@@H](CC(=O)OC)c2ccc3c(c2)n(C)c(=O)n3C)=C([O-])C1=O	ZINC000218014148	1066356527	/nfs/dbraw/zinc/35/65/27/1066356527.db2.gz	PNGOEJFLDUYXOO-ROUUACIJSA-N	-1	0	632.626	1.837	50	30		KDEARM
COC(=O)C[C@H](c1ccc(OC)c(OCC(N)=O)c1)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2ccc(OC)c(OCC(N)=O)c2)C(=O)C1=O	ZINC000218098378	1066356484	/nfs/dbraw/zinc/35/64/84/1066356484.db2.gz	HIRPRSDQVKUHCS-QZTJIDSGSA-N	-1	0	670.624	1.202	50	30		KDEARM
COC(=O)C[C@@H](c1ccc(OC)c(OCC(N)=O)c1)C1C(=O)C(=O)C([C@@H](CC(=O)OC)c2ccc(OC)c(OCC(N)=O)c2)=C([O-])C1=O	ZINC000218098517	1066356436	/nfs/dbraw/zinc/35/64/36/1066356436.db2.gz	HIRPRSDQVKUHCS-ROUUACIJSA-N	-1	0	670.624	1.202	50	30		KDEARM
COC(=O)C[C@H](c1ccc(OCC(N)=O)cc1)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2ccc(OCC(N)=O)cc2)C(=O)C1=O	ZINC000218124627	571603690	/nfs/dbraw/zinc/60/36/90/571603690.db2.gz	SVWABXRPLGOPOQ-WOJBJXKFSA-N	-1	0	610.572	1.184	50	30		KDEARM
COC(=O)C[C@@H](c1ccc(OCC(N)=O)cc1)C1C(=O)C(=O)C([C@@H](CC(=O)OC)c2ccc(OCC(N)=O)cc2)=C([O-])C1=O	ZINC000218124810	571603824	/nfs/dbraw/zinc/60/38/24/571603824.db2.gz	SVWABXRPLGOPOQ-PMACEKPBSA-N	-1	0	610.572	1.184	50	30		KDEARM
C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)[O-]	ZINC000252346800	572260101	/nfs/dbraw/zinc/26/01/01/572260101.db2.gz	DKVKLDLZLZPOQA-IMVVXAGSSA-N	-1	0	519.591	1.314	50	30		KDEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)[O-]	ZINC000252346802	572260110	/nfs/dbraw/zinc/26/01/10/572260110.db2.gz	DKVKLDLZLZPOQA-OPQRMKJOSA-N	-1	0	519.591	1.314	50	30		KDEARM
COC(=O)[C@H]1[C@H](c2ccc(OC)cc2)[C@@H](C(=O)OC)S(=O)(=O)C(=N[N-]c2ccc(C)cc2[N+](=O)[O-])S1(=O)=O	ZINC000252394456	572260257	/nfs/dbraw/zinc/26/02/57/572260257.db2.gz	NCCMNKBJPPKWGU-REPLKXPHSA-N	-1	0	569.570	1.305	50	30		KDEARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000252448738	572261103	/nfs/dbraw/zinc/26/11/03/572261103.db2.gz	CGAKIHUDGZMGAF-XKWDBUDISA-N	-1	0	560.644	1.587	50	30		KDEARM
O=[N+]([O-])c1cc(Br)c([O-])c(C=NN=c2nc(N3CCOCC3)[nH]c(N3CCOCC3)n2)c1	ZINC000252610534	572268180	/nfs/dbraw/zinc/26/81/80/572268180.db2.gz	ICEBGXPYWDKHRT-UHFFFAOYSA-N	-1	0	509.321	1.367	50	30		KDEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=NOCC(=O)NCCCCC(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	ZINC000252677867	572281216	/nfs/dbraw/zinc/28/12/16/572281216.db2.gz	AIHZHCQTJZXZEQ-AYVLZSQQSA-N	-1	0	534.650	1.956	50	30		KDEARM
CC(C)[C@H](NC(=O)CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000252677878	572281273	/nfs/dbraw/zinc/28/12/73/572281273.db2.gz	ALWHFVLEVMTSPE-MWMCEESCSA-N	-1	0	618.724	1.454	50	30		KDEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N5CCC[C@@H]5C(=O)[O-])CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO	ZINC000252695177	572281907	/nfs/dbraw/zinc/28/19/07/572281907.db2.gz	VZZJSFVYWFBQAC-RVWYGICHSA-N	-1	0	532.634	1.661	50	30		KDEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N5CCC[C@H]5C(=O)[O-])CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO	ZINC000252695179	572281889	/nfs/dbraw/zinc/28/18/89/572281889.db2.gz	VZZJSFVYWFBQAC-ZRLJFXBTSA-N	-1	0	532.634	1.661	50	30		KDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCS(=O)(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C1=O)O2	ZINC000253399664	572284787	/nfs/dbraw/zinc/28/47/87/572284787.db2.gz	DEIWOTCKEMMQCU-MQZRIMTLSA-N	-1	0	623.684	1.769	50	30		KDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC(=O)NCc3nc(C(C)C)no3)C1=O)O2	ZINC000253407005	572286614	/nfs/dbraw/zinc/28/66/14/572286614.db2.gz	JLBUKKHXTCOPDO-ICCXZJDVSA-N	-1	0	524.530	1.981	50	30		KDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCNc3ncnc4nc[nH]c43)C1=O)O2	ZINC000253407414	572286661	/nfs/dbraw/zinc/28/66/61/572286661.db2.gz	JWBKHHFZMNONCO-XHTZSRGPSA-N	-1	0	504.503	1.937	50	30		KDEARM
CCOC(=O)N1CCN(C(=O)CNC(C)=C2C(=O)C=C3Oc4c(c([O-])c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)CC1	ZINC000253409439	572287206	/nfs/dbraw/zinc/28/72/06/572287206.db2.gz	LVMWJHAQJIIZPX-ZICGYBOYSA-N	-1	0	541.557	1.459	50	30		KDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCC(=O)NCc3nc(C)no3)C1=O)O2	ZINC000253412060	572287833	/nfs/dbraw/zinc/28/78/33/572287833.db2.gz	PSXWHZUTDZIFIA-AIHHMALZSA-N	-1	0	510.503	1.556	50	30		KDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C1=O)O2	ZINC000253412092	572287893	/nfs/dbraw/zinc/28/78/93/572287893.db2.gz	PVGNJOMTLWURNQ-UQMOTQQSSA-N	-1	0	573.602	1.966	50	30		KDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC(=O)Nc3ccc(C(N)=O)cc3)C1=O)O2	ZINC000253412317	572287901	/nfs/dbraw/zinc/28/79/01/572287901.db2.gz	QPMQPTBEYWNCML-UTYZVXQHSA-N	-1	0	519.510	1.896	50	30		KDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCC(=O)NCCc3nc(C)no3)C1=O)O2	ZINC000253412799	572288230	/nfs/dbraw/zinc/28/82/30/572288230.db2.gz	SBGLENZHMVQDAP-CTSWPSOHSA-N	-1	0	524.530	1.599	50	30		KDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3noc([C@@H]4CCC(=O)N4)n3)C1=O)O2	ZINC000253413113	572288352	/nfs/dbraw/zinc/28/83/52/572288352.db2.gz	TVFBFQLXKAUZBR-AQZRMTMOSA-N	-1	0	508.487	1.693	50	30		KDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3noc([C@H]4CCC(=O)N4)n3)C1=O)O2	ZINC000253413114	572288400	/nfs/dbraw/zinc/28/84/00/572288400.db2.gz	TVFBFQLXKAUZBR-WGVXXXOWSA-N	-1	0	508.487	1.693	50	30		KDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC(=O)NCCc3nc(C)no3)C1=O)O2	ZINC000253414106	572288735	/nfs/dbraw/zinc/28/87/35/572288735.db2.gz	WMMRGFOGHNJXMY-AIHHMALZSA-N	-1	0	510.503	1.209	50	30		KDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCc3noc(Cn4ccccc4=O)n3)C1=O)O2	ZINC000253414180	572288746	/nfs/dbraw/zinc/28/87/46/572288746.db2.gz	WQVXKORLWADVAW-BSKIJULFSA-N	-1	0	546.536	1.994	50	30		KDEARM
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](CCC(N)=O)C(=O)[O-]	ZINC000253486850	572290011	/nfs/dbraw/zinc/29/00/11/572290011.db2.gz	AEFRIPKQXQSQCE-PGKSWXEDSA-N	-1	0	588.654	1.156	50	30		KDEARM
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000253486851	572289998	/nfs/dbraw/zinc/28/99/98/572289998.db2.gz	AEFRIPKQXQSQCE-VHGYVSSVSA-N	-1	0	588.654	1.156	50	30		KDEARM
C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)[O-]	ZINC000253498167	572292272	/nfs/dbraw/zinc/29/22/72/572292272.db2.gz	DKVKLDLZLZPOQA-ILPQUOLBSA-N	-1	0	519.591	1.314	50	30		KDEARM
C[C@@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)[O-]	ZINC000253498168	572292271	/nfs/dbraw/zinc/29/22/71/572292271.db2.gz	DKVKLDLZLZPOQA-LZFDQIGXSA-N	-1	0	519.591	1.314	50	30		KDEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N5CCC[C@@H]5C(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	ZINC000253498785	572292882	/nfs/dbraw/zinc/29/28/82/572292882.db2.gz	VZZJSFVYWFBQAC-CZTCKUHZSA-N	-1	0	532.634	1.661	50	30		KDEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N5CCC[C@H]5C(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	ZINC000253498786	572292869	/nfs/dbraw/zinc/29/28/69/572292869.db2.gz	VZZJSFVYWFBQAC-QDSUYOMASA-N	-1	0	532.634	1.661	50	30		KDEARM
C[C@@]12C[C@H](O)[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)NCCCCC(=O)[O-])CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CO	ZINC000253501532	572294625	/nfs/dbraw/zinc/29/46/25/572294625.db2.gz	AIHZHCQTJZXZEQ-BLZCDVSESA-N	-1	0	534.650	1.956	50	30		KDEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)NCCCCC(=O)[O-])CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CO	ZINC000253501533	572294753	/nfs/dbraw/zinc/29/47/53/572294753.db2.gz	AIHZHCQTJZXZEQ-ONKWCXBBSA-N	-1	0	534.650	1.956	50	30		KDEARM
C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)NCCCCC(=O)[O-])CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CO	ZINC000253501534	572294741	/nfs/dbraw/zinc/29/47/41/572294741.db2.gz	AIHZHCQTJZXZEQ-PQVVJKOCSA-N	-1	0	534.650	1.956	50	30		KDEARM
C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)NCCCCC(=O)[O-])CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CO	ZINC000253501535	572294778	/nfs/dbraw/zinc/29/47/78/572294778.db2.gz	AIHZHCQTJZXZEQ-ZSIULKLMSA-N	-1	0	534.650	1.956	50	30		KDEARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000253501712	572294840	/nfs/dbraw/zinc/29/48/40/572294840.db2.gz	BTDCLMSOBQHKFV-ILMDMNNLSA-N	-1	0	574.671	1.977	50	30		KDEARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](CCC(N)=O)C(=O)[O-]	ZINC000253501714	572294834	/nfs/dbraw/zinc/29/48/34/572294834.db2.gz	BTDCLMSOBQHKFV-OAABSSLRSA-N	-1	0	574.671	1.977	50	30		KDEARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](CCC(N)=O)C(=O)[O-]	ZINC000253501716	572294824	/nfs/dbraw/zinc/29/48/24/572294824.db2.gz	BTDCLMSOBQHKFV-OUTDPYJMSA-N	-1	0	574.671	1.977	50	30		KDEARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000253501717	572294830	/nfs/dbraw/zinc/29/48/30/572294830.db2.gz	BTDCLMSOBQHKFV-VHUDGZLZSA-N	-1	0	574.671	1.977	50	30		KDEARM
C[C@H](O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253501786	572294952	/nfs/dbraw/zinc/29/49/52/572294952.db2.gz	INQIXVVMORTGSU-ITCDQESPSA-N	-1	0	563.644	1.063	50	30		KDEARM
C[C@H](O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253501789	572294942	/nfs/dbraw/zinc/29/49/42/572294942.db2.gz	INQIXVVMORTGSU-JEMQSLIDSA-N	-1	0	563.644	1.063	50	30		KDEARM
C[C@H](O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253501791	572295016	/nfs/dbraw/zinc/29/50/16/572295016.db2.gz	INQIXVVMORTGSU-XDSOHJKTSA-N	-1	0	563.644	1.063	50	30		KDEARM
C[C@H](O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253501793	572294995	/nfs/dbraw/zinc/29/49/95/572294995.db2.gz	INQIXVVMORTGSU-XRIZCQITSA-N	-1	0	563.644	1.063	50	30		KDEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000253501809	572295082	/nfs/dbraw/zinc/29/50/82/572295082.db2.gz	JAXNGXDDJMTFDU-FQSSTCEESA-N	-1	0	575.655	1.159	50	30		KDEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000253501810	572295075	/nfs/dbraw/zinc/29/50/75/572295075.db2.gz	JAXNGXDDJMTFDU-GJEAJBSCSA-N	-1	0	575.655	1.159	50	30		KDEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000253501812	572295058	/nfs/dbraw/zinc/29/50/58/572295058.db2.gz	JAXNGXDDJMTFDU-QKBVAWDCSA-N	-1	0	575.655	1.159	50	30		KDEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000253501814	572295100	/nfs/dbraw/zinc/29/51/00/572295100.db2.gz	JAXNGXDDJMTFDU-VGHVDRPBSA-N	-1	0	575.655	1.159	50	30		KDEARM
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CS)C(=O)[O-]	ZINC000253502199	572295433	/nfs/dbraw/zinc/29/54/33/572295433.db2.gz	LRGJJVGQFYZUIF-KYOKFMTMSA-N	-1	0	563.669	1.820	50	30		KDEARM
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](CS)C(=O)[O-]	ZINC000253502200	572295385	/nfs/dbraw/zinc/29/53/85/572295385.db2.gz	LRGJJVGQFYZUIF-MRZOWQPDSA-N	-1	0	563.669	1.820	50	30		KDEARM
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](CS)C(=O)[O-]	ZINC000253502202	572295408	/nfs/dbraw/zinc/29/54/08/572295408.db2.gz	LRGJJVGQFYZUIF-VFNIOZFXSA-N	-1	0	563.669	1.820	50	30		KDEARM
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CS)C(=O)[O-]	ZINC000253502215	572295424	/nfs/dbraw/zinc/29/54/24/572295424.db2.gz	LRGJJVGQFYZUIF-YOKJKQSISA-N	-1	0	563.669	1.820	50	30		KDEARM
CC(C)(CNC(=O)CO/N=C1/C=C2CC[C@@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]3[C@@]2(C)CC1)[C@H](O)C(=O)[O-]	ZINC000253502247	562881888	/nfs/dbraw/zinc/88/18/88/562881888.db2.gz	NGECZSLVPXAILM-AQOTZOHHSA-N	-1	0	564.676	1.173	50	30		KDEARM
CC(C)(CNC(=O)CO/N=C1/C=C2CC[C@@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]3[C@@]2(C)CC1)[C@@H](O)C(=O)[O-]	ZINC000253502254	562881894	/nfs/dbraw/zinc/88/18/94/562881894.db2.gz	NGECZSLVPXAILM-GANNOCNRSA-N	-1	0	564.676	1.173	50	30		KDEARM
CC(C)(CNC(=O)CO/N=C1/C=C2CC[C@@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC1)[C@H](O)C(=O)[O-]	ZINC000253502258	562881889	/nfs/dbraw/zinc/88/18/89/562881889.db2.gz	NGECZSLVPXAILM-OMSSUNQYSA-N	-1	0	564.676	1.173	50	30		KDEARM
CC(C)(CNC(=O)CO/N=C1/C=C2CC[C@@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC1)[C@@H](O)C(=O)[O-]	ZINC000253502262	562881883	/nfs/dbraw/zinc/88/18/83/562881883.db2.gz	NGECZSLVPXAILM-RYLKHVSGSA-N	-1	0	564.676	1.173	50	30		KDEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](CS)C(=O)[O-]	ZINC000253502495	572295597	/nfs/dbraw/zinc/29/55/97/572295597.db2.gz	HFFSTHNVLCSKNL-CEUFEUFMSA-N	-1	0	565.685	1.612	50	30		KDEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CS)C(=O)[O-]	ZINC000253502499	572295564	/nfs/dbraw/zinc/29/55/64/572295564.db2.gz	HFFSTHNVLCSKNL-HNPSXXTCSA-N	-1	0	565.685	1.612	50	30		KDEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CS)C(=O)[O-]	ZINC000253502501	572295555	/nfs/dbraw/zinc/29/55/55/572295555.db2.gz	HFFSTHNVLCSKNL-IPJFOWSPSA-N	-1	0	565.685	1.612	50	30		KDEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](CS)C(=O)[O-]	ZINC000253502503	572295598	/nfs/dbraw/zinc/29/55/98/572295598.db2.gz	HFFSTHNVLCSKNL-YYZRJXATSA-N	-1	0	565.685	1.612	50	30		KDEARM
C[C@H](O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000253503111	572295844	/nfs/dbraw/zinc/29/58/44/572295844.db2.gz	FSMVAOYEDATITI-CECMQGOPSA-N	-1	0	561.628	1.271	50	30		KDEARM
C[C@H](O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000253503115	572295856	/nfs/dbraw/zinc/29/58/56/572295856.db2.gz	FSMVAOYEDATITI-HKZVCNIMSA-N	-1	0	561.628	1.271	50	30		KDEARM
C[C@H](O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000253503117	572295825	/nfs/dbraw/zinc/29/58/25/572295825.db2.gz	FSMVAOYEDATITI-HQGSLXHTSA-N	-1	0	561.628	1.271	50	30		KDEARM
C[C@H](O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000253503120	572295826	/nfs/dbraw/zinc/29/58/26/572295826.db2.gz	FSMVAOYEDATITI-YXQMDVPQSA-N	-1	0	561.628	1.271	50	30		KDEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)[C@@H](O)C(=O)[O-]	ZINC000253503588	572296142	/nfs/dbraw/zinc/29/61/42/572296142.db2.gz	RVKXSEZVPIPQIO-CQYOCOIUSA-N	-1	0	591.698	1.701	50	30		KDEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)[C@H](O)C(=O)[O-]	ZINC000253503592	572296100	/nfs/dbraw/zinc/29/61/00/572296100.db2.gz	RVKXSEZVPIPQIO-DWCQJHGWSA-N	-1	0	591.698	1.701	50	30		KDEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)[C@H](O)C(=O)[O-]	ZINC000253503595	572296129	/nfs/dbraw/zinc/29/61/29/572296129.db2.gz	RVKXSEZVPIPQIO-FMQQDQQESA-N	-1	0	591.698	1.701	50	30		KDEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)[C@@H](O)C(=O)[O-]	ZINC000253503598	572296103	/nfs/dbraw/zinc/29/61/03/572296103.db2.gz	RVKXSEZVPIPQIO-JNLWQGKASA-N	-1	0	591.698	1.701	50	30		KDEARM
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000253503666	572296095	/nfs/dbraw/zinc/29/60/95/572296095.db2.gz	SACMVAKZDXPVPG-JKEMCSEUSA-N	-1	0	573.639	1.367	50	30		KDEARM
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000253503669	572296139	/nfs/dbraw/zinc/29/61/39/572296139.db2.gz	SACMVAKZDXPVPG-OLHWVZHGSA-N	-1	0	573.639	1.367	50	30		KDEARM
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000253503673	572296096	/nfs/dbraw/zinc/29/60/96/572296096.db2.gz	SACMVAKZDXPVPG-WPGARHJVSA-N	-1	0	573.639	1.367	50	30		KDEARM
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000253503676	572296106	/nfs/dbraw/zinc/29/61/06/572296106.db2.gz	SACMVAKZDXPVPG-ZXSOFTRSSA-N	-1	0	573.639	1.367	50	30		KDEARM
CC(C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000253503921	572296314	/nfs/dbraw/zinc/29/63/14/572296314.db2.gz	IDJSATHWBOPJSV-DMQKCAPESA-N	-1	0	632.751	1.843	50	30		KDEARM
CC(C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000253503923	572296313	/nfs/dbraw/zinc/29/63/13/572296313.db2.gz	IDJSATHWBOPJSV-IRKXZAKQSA-N	-1	0	632.751	1.843	50	30		KDEARM
CC(C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000253503928	572296307	/nfs/dbraw/zinc/29/63/07/572296307.db2.gz	IDJSATHWBOPJSV-KJOUJZPWSA-N	-1	0	632.751	1.843	50	30		KDEARM
CC(C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000253503931	572296304	/nfs/dbraw/zinc/29/63/04/572296304.db2.gz	IDJSATHWBOPJSV-YRGGUCATSA-N	-1	0	632.751	1.843	50	30		KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)N[C@H](CS)C(=O)[O-]	ZINC000253503934	572296311	/nfs/dbraw/zinc/29/63/11/572296311.db2.gz	JDNGDIDURZRTFM-BVEKZYCTSA-N	-1	0	664.818	1.753	50	30		KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000253503937	572296309	/nfs/dbraw/zinc/29/63/09/572296309.db2.gz	JDNGDIDURZRTFM-DRXMYTNISA-N	-1	0	664.818	1.753	50	30		KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000253503945	572296302	/nfs/dbraw/zinc/29/63/02/572296302.db2.gz	JDNGDIDURZRTFM-KUUBEYQDSA-N	-1	0	664.818	1.753	50	30		KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)C(=O)N[C@H](CS)C(=O)[O-]	ZINC000253503950	572296322	/nfs/dbraw/zinc/29/63/22/572296322.db2.gz	JDNGDIDURZRTFM-NVHMPWNBSA-N	-1	0	664.818	1.753	50	30		KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)C(=O)N[C@H](C(=O)[O-])[C@H](C)O	ZINC000253503954	572296328	/nfs/dbraw/zinc/29/63/28/572296328.db2.gz	JFLGWYQHQKEMMN-AUTFGFCOSA-N	-1	0	662.777	1.204	50	30		KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	ZINC000253503960	572296291	/nfs/dbraw/zinc/29/62/91/572296291.db2.gz	JFLGWYQHQKEMMN-BYSXMHOWSA-N	-1	0	662.777	1.204	50	30		KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O	ZINC000253503963	572296273	/nfs/dbraw/zinc/29/62/73/572296273.db2.gz	JFLGWYQHQKEMMN-UFVQWZPTSA-N	-1	0	662.777	1.204	50	30		KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)C(=O)N[C@@H](C(=O)[O-])[C@H](C)O	ZINC000253503964	572296318	/nfs/dbraw/zinc/29/63/18/572296318.db2.gz	JFLGWYQHQKEMMN-VZGDBERXSA-N	-1	0	662.777	1.204	50	30		KDEARM
CC(C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)NCC(C)(C)[C@H](O)C(=O)[O-]	ZINC000253504003	572296281	/nfs/dbraw/zinc/29/62/81/572296281.db2.gz	MTBFHORQMJSTRY-DREIZXQVSA-N	-1	0	690.831	1.841	50	30		KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)NCC(C)(C)[C@H](O)C(=O)[O-]	ZINC000253504014	572296293	/nfs/dbraw/zinc/29/62/93/572296293.db2.gz	MTBFHORQMJSTRY-MBJSWTHZSA-N	-1	0	690.831	1.841	50	30		KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)NCC(C)(C)[C@@H](O)C(=O)[O-]	ZINC000253504017	572296312	/nfs/dbraw/zinc/29/63/12/572296312.db2.gz	MTBFHORQMJSTRY-MGXHKLPHSA-N	-1	0	690.831	1.841	50	30		KDEARM
CC(C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)NCC(C)(C)[C@@H](O)C(=O)[O-]	ZINC000253504026	572296270	/nfs/dbraw/zinc/29/62/70/572296270.db2.gz	MTBFHORQMJSTRY-OMPQNYLPSA-N	-1	0	690.831	1.841	50	30		KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000253504132	572296363	/nfs/dbraw/zinc/29/63/63/572296363.db2.gz	OIKRAKPYDRLIKA-AKNMXGQWSA-N	-1	0	689.803	1.088	50	30		KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)N[C@H](CCC(N)=O)C(=O)[O-]	ZINC000253504137	572296393	/nfs/dbraw/zinc/29/63/93/572296393.db2.gz	OIKRAKPYDRLIKA-BCGYVXSNSA-N	-1	0	689.803	1.088	50	30		KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)C(=O)N[C@H](CCC(N)=O)C(=O)[O-]	ZINC000253504140	572296358	/nfs/dbraw/zinc/29/63/58/572296358.db2.gz	OIKRAKPYDRLIKA-MRJCRXSSSA-N	-1	0	689.803	1.088	50	30		KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000253504147	572296447	/nfs/dbraw/zinc/29/64/47/572296447.db2.gz	OIKRAKPYDRLIKA-PRIAVBHFSA-N	-1	0	689.803	1.088	50	30		KDEARM
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](CCC(N)=O)C(=O)[O-]	ZINC000253504156	572296426	/nfs/dbraw/zinc/29/64/26/572296426.db2.gz	AEFRIPKQXQSQCE-GSHPFMNRSA-N	-1	0	588.654	1.156	50	30		KDEARM
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000253504157	572296435	/nfs/dbraw/zinc/29/64/35/572296435.db2.gz	AEFRIPKQXQSQCE-PQYJZYBZSA-N	-1	0	588.654	1.156	50	30		KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)C(=O)NCC(=O)[O-]	ZINC000253504337	572296548	/nfs/dbraw/zinc/29/65/48/572296548.db2.gz	ZQZZQUBVLJFYEM-GXTHIPDHSA-N	-1	0	618.724	1.454	50	30		KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)NCC(=O)[O-]	ZINC000253504346	572296509	/nfs/dbraw/zinc/29/65/09/572296509.db2.gz	ZQZZQUBVLJFYEM-LGEGGMLVSA-N	-1	0	618.724	1.454	50	30		KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(=O)NCC(=O)[O-]	ZINC000253504353	572296511	/nfs/dbraw/zinc/29/65/11/572296511.db2.gz	ZQZZQUBVLJFYEM-OBWIHOKDSA-N	-1	0	618.724	1.454	50	30		KDEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)NCC(=O)[O-]	ZINC000253504360	572296551	/nfs/dbraw/zinc/29/65/51/572296551.db2.gz	ZQZZQUBVLJFYEM-SNJYQCOESA-N	-1	0	618.724	1.454	50	30		KDEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)[C@H](O)C(=O)[O-]	ZINC000253504813	572296768	/nfs/dbraw/zinc/29/67/68/572296768.db2.gz	FDGAMRAWLJULKY-BFWRDJQXSA-N	-1	0	589.682	1.477	50	30		KDEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)[C@@H](O)C(=O)[O-]	ZINC000253504817	572296759	/nfs/dbraw/zinc/29/67/59/572296759.db2.gz	FDGAMRAWLJULKY-BYPZSRDXSA-N	-1	0	589.682	1.477	50	30		KDEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)[C@@H](O)C(=O)[O-]	ZINC000253504819	572296739	/nfs/dbraw/zinc/29/67/39/572296739.db2.gz	FDGAMRAWLJULKY-CFHVOGACSA-N	-1	0	589.682	1.477	50	30		KDEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)[C@H](O)C(=O)[O-]	ZINC000253504822	572296737	/nfs/dbraw/zinc/29/67/37/572296737.db2.gz	FDGAMRAWLJULKY-KVQCLHMWSA-N	-1	0	589.682	1.477	50	30		KDEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)[C@@H](O)C(=O)[O-]	ZINC000253506100	572297223	/nfs/dbraw/zinc/29/72/23/572297223.db2.gz	QBTCPPVLMDFLMU-JWXCLCLPSA-N	-1	0	589.682	1.909	50	30		KDEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C)[C@@H](O)C(=O)[O-]	ZINC000253506102	572297239	/nfs/dbraw/zinc/29/72/39/572297239.db2.gz	QBTCPPVLMDFLMU-KYZBFVIGSA-N	-1	0	589.682	1.909	50	30		KDEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C)[C@H](O)C(=O)[O-]	ZINC000253506104	572297191	/nfs/dbraw/zinc/29/71/91/572297191.db2.gz	QBTCPPVLMDFLMU-UCVIQPBYSA-N	-1	0	589.682	1.909	50	30		KDEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)[C@H](O)C(=O)[O-]	ZINC000253506106	572297221	/nfs/dbraw/zinc/29/72/21/572297221.db2.gz	QBTCPPVLMDFLMU-WHKYNRHBSA-N	-1	0	589.682	1.909	50	30		KDEARM
CCC[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253522729	572297718	/nfs/dbraw/zinc/29/77/18/572297718.db2.gz	OSMRXGFGPXOGSO-BLUDFFIZSA-N	-1	0	632.751	1.987	50	30		KDEARM
CCC[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253522730	572297738	/nfs/dbraw/zinc/29/77/38/572297738.db2.gz	OSMRXGFGPXOGSO-JIGSBJNASA-N	-1	0	632.751	1.987	50	30		KDEARM
CCC[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253522731	572297706	/nfs/dbraw/zinc/29/77/06/572297706.db2.gz	OSMRXGFGPXOGSO-WLHCNGQASA-N	-1	0	632.751	1.987	50	30		KDEARM
CCC[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253522732	572297713	/nfs/dbraw/zinc/29/77/13/572297713.db2.gz	OSMRXGFGPXOGSO-ZXYIQTJPSA-N	-1	0	632.751	1.987	50	30		KDEARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000253530320	572298257	/nfs/dbraw/zinc/29/82/57/572298257.db2.gz	CGAKIHUDGZMGAF-ONYWZEHKSA-N	-1	0	560.644	1.587	50	30		KDEARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000253530321	572298245	/nfs/dbraw/zinc/29/82/45/572298245.db2.gz	CGAKIHUDGZMGAF-ZAGUUGBISA-N	-1	0	560.644	1.587	50	30		KDEARM
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)[O-]	ZINC000253531227	572298767	/nfs/dbraw/zinc/29/87/67/572298767.db2.gz	ZXEULDJSILFOED-KDOGBDFLSA-N	-1	0	517.575	1.522	50	30		KDEARM
C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)[O-]	ZINC000253531228	572298677	/nfs/dbraw/zinc/29/86/77/572298677.db2.gz	ZXEULDJSILFOED-LFUWJKOASA-N	-1	0	517.575	1.522	50	30		KDEARM
CC(C)[C@H](NC(=O)CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253533713	572299490	/nfs/dbraw/zinc/29/94/90/572299490.db2.gz	ALWHFVLEVMTSPE-LGEGGMLVSA-N	-1	0	618.724	1.454	50	30		KDEARM
CC(C)[C@H](NC(=O)CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253533716	572299562	/nfs/dbraw/zinc/29/95/62/572299562.db2.gz	ALWHFVLEVMTSPE-SNJYQCOESA-N	-1	0	618.724	1.454	50	30		KDEARM
CC(C)[C@H](NC(=O)CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253533718	195478356	/nfs/dbraw/zinc/47/83/56/195478356.db2.gz	ALWHFVLEVMTSPE-TYEITDPESA-N	-1	0	618.724	1.454	50	30		KDEARM
C=CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(CC(=O)[O-])C3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000254346457	1066413356	/nfs/dbraw/zinc/41/33/56/1066413356.db2.gz	GPZXHHVMTRUILW-HSZRJFAPSA-N	-1	0	545.573	1.774	50	30		KDEARM
C=CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(CC(=O)[O-])C3=O)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000254347229	1066413186	/nfs/dbraw/zinc/41/31/86/1066413186.db2.gz	GPZXHHVMTRUILW-QHCPKHFHSA-N	-1	0	545.573	1.774	50	30		KDEARM
COc1ccc(CCn2c(NN=Cc3ccc(OC)c(OC)c3C(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000254594815	1066413793	/nfs/dbraw/zinc/41/37/93/1066413793.db2.gz	UZJWOJMNHXUFJC-UHFFFAOYSA-N	-1	0	536.545	1.846	50	30		KDEARM
Cc1cc([N-]S(=O)(=O)c2ccc(NN=C(C#N)C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)no1	ZINC000254819635	1066414868	/nfs/dbraw/zinc/41/48/68/1066414868.db2.gz	RIWZZQNJQDVPEF-UHFFFAOYSA-N	-1	0	503.522	1.361	50	30		KDEARM
CSCC[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(=O)[O-]	ZINC000257361159	572322236	/nfs/dbraw/zinc/32/22/36/572322236.db2.gz	LXGZVGMIWXLECK-BLUDFFIZSA-N	-1	0	664.818	1.940	50	30		KDEARM
CSCC[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)C(=O)[O-]	ZINC000257361166	572322223	/nfs/dbraw/zinc/32/22/23/572322223.db2.gz	LXGZVGMIWXLECK-JIGSBJNASA-N	-1	0	664.818	1.940	50	30		KDEARM
CSCC[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000257361172	572322235	/nfs/dbraw/zinc/32/22/35/572322235.db2.gz	LXGZVGMIWXLECK-WLHCNGQASA-N	-1	0	664.818	1.940	50	30		KDEARM
CSCC[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000257361177	572322243	/nfs/dbraw/zinc/32/22/43/572322243.db2.gz	LXGZVGMIWXLECK-ZXYIQTJPSA-N	-1	0	664.818	1.940	50	30		KDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC3CCN(S(C)(=O)=O)CC3)C1=O)O2	ZINC000263585917	572121020	/nfs/dbraw/zinc/12/10/20/572121020.db2.gz	NVYNFVQTBAUVBU-JYFCICGUSA-N	-1	0	504.561	1.582	50	30		KDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)Nc3cccc(N(CC(N)=O)S(C)(=O)=O)c3)C1=O)O2	ZINC000604406054	1066354548	/nfs/dbraw/zinc/35/45/48/1066354548.db2.gz	ZPYMOZHRRIZIRR-PGSXWIQSSA-N	-1	0	569.592	1.932	50	30		KDEARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CO)C(=O)[O-]	ZINC000888089263	1066223062	/nfs/dbraw/zinc/22/30/62/1066223062.db2.gz	RESORBICGDCNNU-GXGJKQSKSA-N	-1	0	533.618	1.704	50	30		KDEARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](CO)C(=O)[O-]	ZINC000888089264	1066223092	/nfs/dbraw/zinc/22/30/92/1066223092.db2.gz	RESORBICGDCNNU-IPKLDVGYSA-N	-1	0	533.618	1.704	50	30		KDEARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](CO)C(=O)[O-]	ZINC000888089265	1066222919	/nfs/dbraw/zinc/22/29/19/1066222919.db2.gz	RESORBICGDCNNU-NDBHDERLSA-N	-1	0	533.618	1.704	50	30		KDEARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CO)C(=O)[O-]	ZINC000888089266	1066222751	/nfs/dbraw/zinc/22/27/51/1066222751.db2.gz	RESORBICGDCNNU-UUTLWKSGSA-N	-1	0	533.618	1.704	50	30		KDEARM
CCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O)OC(=O)CCCCCCC	ZINC001501016412	1066420078	/nfs/dbraw/zinc/42/00/78/1066420078.db2.gz	UPUKKDCTWWVPCJ-LPFOVEROSA-N	-1	0	586.612	1.483	50	30		KDEARM
CCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC	ZINC001501016425	1066420246	/nfs/dbraw/zinc/42/02/46/1066420246.db2.gz	UPUKKDCTWWVPCJ-UALJFJSXSA-N	-1	0	586.612	1.483	50	30		KDEARM
CCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC	ZINC001501016429	1066420763	/nfs/dbraw/zinc/42/07/63/1066420763.db2.gz	UPUKKDCTWWVPCJ-WKIOSHABSA-N	-1	0	586.612	1.483	50	30		KDEARM