smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc(OCC)c1OCC	ZINC000008963346	554838209	/nfs/dbraw/zinc/83/82/09/554838209.db2.gz	DSIUTNYJFXHHOI-XMMPIXPASA-N	0	3	481.637	4.442	50	10		JICAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(O)c(O)c3)[C@H]2C(=O)N1c1cccc2ccccc21	ZINC000013805013	555623003	/nfs/dbraw/zinc/62/30/03/555623003.db2.gz	JKOBNXOZGUFQCX-DSNGMDLFSA-N	0	3	452.466	4.302	50	10		JICAHN
COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)C(C(=O)c2ccccc2F)[C@]12C(=O)Nc1ccccc12	ZINC000245312008	570063746	/nfs/dbraw/zinc/06/37/46/570063746.db2.gz	RQHRUNVIBHBZCX-YIPGRGJBSA-N	0	3	482.511	4.397	50	10		JICAHN
COc1ccc(N2C(=O)C3ON(c4ccccc4C)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1	ZINC000006151098	524395574	/nfs/dbraw/zinc/39/55/74/524395574.db2.gz	IORQHUCVSKRCCL-UBFVSLLYSA-N	0	3	457.530	4.121	50	10		JICAHN
CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000017822946	556267251	/nfs/dbraw/zinc/26/72/51/556267251.db2.gz	NCMVZFVLJJQUDY-ZRBLBEILSA-N	0	3	492.919	4.365	50	10		JICAHN
COc1cccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NC3(CCN(C(C)C)CC3)N2)c1O	ZINC000065298235	569670666	/nfs/dbraw/zinc/67/06/66/569670666.db2.gz	KAMMXNQOUZOJNM-NRFANRHFSA-N	0	3	453.583	4.142	50	10	biogenic	JICAHN
COc1ccc(N2CCN(Cc3coc([O-])c(C[NH+]4CCC(c5ccccc5)CC4)c3=O)CC2)cc1	ZINC000101372778	569794680	/nfs/dbraw/zinc/79/46/80/569794680.db2.gz	BSELOBSGDVWNOO-UHFFFAOYSA-N	0	3	489.616	4.056	50	10		JICAHN
COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c1O	ZINC000102744728	569819604	/nfs/dbraw/zinc/81/96/04/569819604.db2.gz	JAIXRIXGWKMHOY-KCZVDYSFSA-N	0	3	495.329	4.214	50	10		JICAHN
CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000227247963	570040139	/nfs/dbraw/zinc/04/01/39/570040139.db2.gz	NCMVZFVLJJQUDY-DNVJHFABSA-N	0	3	492.919	4.365	50	10		JICAHN
O=S(=O)(NC1CC[NH+](Cc2c([O-])ccc3cc(Br)ccc32)CC1)c1ccccc1	ZINC000009113635	194533518	/nfs/dbraw/zinc/53/35/18/194533518.db2.gz	XDYJETZFVCLYGD-UHFFFAOYSA-N	0	3	475.408	4.251	50	10		JICAHN
COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(C)=O)C(C(=O)c2ccccc2F)[C@]12C(=O)Nc1ccccc12	ZINC000009016142	554866445	/nfs/dbraw/zinc/86/64/45/554866445.db2.gz	RQHRUNVIBHBZCX-GFQWBHFJSA-N	0	3	482.511	4.397	50	10		JICAHN
COc1cc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc(OC)c1OC	ZINC000009137325	554933029	/nfs/dbraw/zinc/93/30/29/554933029.db2.gz	KSMASIHFMPKAIX-QHCPKHFHSA-N	0	3	467.610	4.052	50	10		JICAHN
COc1cccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1O	ZINC000011880227	555848330	/nfs/dbraw/zinc/84/83/30/555848330.db2.gz	XEUPSPLTCCVSOP-QHCPKHFHSA-N	0	3	491.636	4.185	50	10		JICAHN
COc1ccc(N(C2CCN(Cc3ccccc3O)CC2)S(=O)(=O)c2ccccc2)cc1OC	ZINC000034683941	569644784	/nfs/dbraw/zinc/64/47/84/569644784.db2.gz	DSFPILFOVALMMS-UHFFFAOYSA-N	0	3	482.602	4.269	50	10		JICAHN
CCN1CCC2(CC1)N=C(c1ccc(Br)cc1)C[C@H](c1cccc(OC)c1O)N2	ZINC000065298217	569670781	/nfs/dbraw/zinc/67/07/81/569670781.db2.gz	WXAQGIXWVYLZIT-HXUWFJFHSA-N	0	3	458.400	4.499	50	10	biogenic	JICAHN
CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101144343	569784411	/nfs/dbraw/zinc/78/44/11/569784411.db2.gz	NCMVZFVLJJQUDY-ZLNRFVROSA-N	0	3	492.919	4.365	50	10		JICAHN
COc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(C)=O)C(C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12	ZINC000009273106	555045360	/nfs/dbraw/zinc/04/53/60/555045360.db2.gz	BRUAMEXMFBBSCU-PSELDJGJSA-N	0	3	470.550	4.319	50	10		JICAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)c(O)c3)[C@@H]2C(=O)N1c1cccc2ccccc21	ZINC000137915302	569865463	/nfs/dbraw/zinc/86/54/63/569865463.db2.gz	JKOBNXOZGUFQCX-ISJGIBHGSA-N	0	3	452.466	4.302	50	10		JICAHN
CCCC[C@H](CC)C(=O)N(CCN(C)C)Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC	ZINC000034921506	521156213	/nfs/dbraw/zinc/15/62/13/521156213.db2.gz	PRYNFEWVCYVKLG-NRFANRHFSA-N	0	3	483.719	4.368	50	10		JICAHN
CO[C@H]1[C@H](NC(=O)COc2ccccc2)c2ccccc2C12CC[NH+](Cc1ccccc1[O-])CC2	ZINC000014980181	524023035	/nfs/dbraw/zinc/02/30/35/524023035.db2.gz	XKFBPLXIEUPKSX-IZLXSDGUSA-N	0	3	472.585	4.191	50	10		JICAHN
O=C1N(CCCc2cccnc2)C(=O)C2(CC[NH+](Cc3ccccc3[O-])CC2)N1Cc1ccccc1	ZINC000014538626	555828268	/nfs/dbraw/zinc/82/82/68/555828268.db2.gz	PNVJJQDEIJIAGB-UHFFFAOYSA-N	0	3	484.600	4.219	50	10		JICAHN
O=C([C@H]1CC12CCN(Cc1ccc(N3CCCC3)cc1)CC2)N1CCN(Cc2ccccc2)CC1	ZINC000012056714	555898882	/nfs/dbraw/zinc/89/88/82/555898882.db2.gz	KGESDJKPDPCJNU-MUUNZHRXSA-N	0	3	472.677	4.233	50	10		JICAHN
CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1	ZINC000017823152	556267336	/nfs/dbraw/zinc/26/73/36/556267336.db2.gz	SCPFZMLSOGXVIX-ZRBLBEILSA-N	0	3	492.919	4.365	50	10		JICAHN
COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)C3ON2c2ccccc2)c1O	ZINC000102730213	569818163	/nfs/dbraw/zinc/81/81/63/569818163.db2.gz	ABBJGWSFAACZDO-MQSCRBSSSA-N	0	3	464.905	4.414	50	10		JICAHN
COc1cccc(C[NH+]2CCC([C@@]3(Cc4ccccc4Cl)NC(=O)N(CC4CC4)C3=O)CC2)c1[O-]	ZINC000014882453	525935290	/nfs/dbraw/zinc/93/52/90/525935290.db2.gz	VJAHDOWQARIAAR-HHHXNRCGSA-N	0	3	498.023	4.210	50	10		JICAHN
CC[NH+]1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@@H](c1cc(Br)ccc1[O-])N2	ZINC000065298145	569670646	/nfs/dbraw/zinc/67/06/46/569670646.db2.gz	LKNWMWXCEXRFJZ-IBGZPJMESA-N	0	3	472.383	4.219	50	10	biogenic	JICAHN
CCN(CC)c1ccc(CN(CCN(C)C)C(=O)Nc2ccccc2C)c(OS(=O)(=O)CC)c1	ZINC000034921765	569672617	/nfs/dbraw/zinc/67/26/17/569672617.db2.gz	UEKGNPGNKOKADG-UHFFFAOYSA-N	0	3	490.670	4.165	50	10		JICAHN
CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc(N3CCCC3)cc1)CC2	ZINC000014741587	519719505	/nfs/dbraw/zinc/71/95/05/519719505.db2.gz	ZKBGELJIIBKPBY-UHFFFAOYSA-N	0	3	475.637	4.137	50	10		JICAHN
COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)C(C(=O)c2ccccc2F)[C@]12C(=O)Nc1ccccc12	ZINC000043727081	525510420	/nfs/dbraw/zinc/51/04/20/525510420.db2.gz	RQHRUNVIBHBZCX-QPPCPWFDSA-N	0	3	482.511	4.397	50	10		JICAHN
COc1cccc([O-])c1C[NH+]1CCC2(CC1)c1ccccc1[C@@H](NC(=O)c1ccsc1)[C@@H]2OC	ZINC000011996490	562958449	/nfs/dbraw/zinc/95/84/49/562958449.db2.gz	VYEZFKSKAKOHRF-RPBOFIJWSA-N	0	3	478.614	4.496	50	10		JICAHN
CCCC[C@@H](CC)C(=O)N(CCN(C)C)Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC	ZINC000034921505	569672425	/nfs/dbraw/zinc/67/24/25/569672425.db2.gz	PRYNFEWVCYVKLG-OAQYLSRUSA-N	0	3	483.719	4.368	50	10		JICAHN
COc1cccc(C[NH+]2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3cc(C)nn3C)CC2)c1[O-]	ZINC000012204639	525936455	/nfs/dbraw/zinc/93/64/55/525936455.db2.gz	KOWUVMXLLQAPSO-DEOSSOPVSA-N	0	3	476.621	4.038	50	10		JICAHN
COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1[O-]	ZINC000014317727	555794340	/nfs/dbraw/zinc/79/43/40/555794340.db2.gz	LZBZTXRDWARDGB-UHFFFAOYSA-N	0	3	461.514	4.198	50	10		JICAHN
CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1	ZINC000090443213	569720790	/nfs/dbraw/zinc/72/07/90/569720790.db2.gz	SCPFZMLSOGXVIX-ZLNRFVROSA-N	0	3	492.919	4.365	50	10		JICAHN
COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1	ZINC000101268013	569788598	/nfs/dbraw/zinc/78/85/98/569788598.db2.gz	JZDDPAXVSIKVSU-KMDXXIMOSA-N	0	3	477.948	4.466	50	10		JICAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(OC)c4O)[C@@H]3C2=O)cc1	ZINC000102735425	569818689	/nfs/dbraw/zinc/81/86/89/569818689.db2.gz	GJVVOBSDBLTNQQ-SONWIMMPSA-N	0	3	474.513	4.241	50	10		JICAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(OC)c4O)[C@H]3C2=O)cc1	ZINC000245325606	570064320	/nfs/dbraw/zinc/06/43/20/570064320.db2.gz	GJVVOBSDBLTNQQ-VDKIKQQVSA-N	0	3	474.513	4.241	50	10		JICAHN
COc1cc(C[C@@H]2CC(CN[C@@H](C)c3ccc(N4CCCCC4)cc3)=NO2)c(OC)c2c1OCO2	ZINC000015084029	555874245	/nfs/dbraw/zinc/87/42/45/555874245.db2.gz	XBBRUIHTLGOVOW-FDDCHVKYSA-N	0	3	481.593	4.461	50	10		JICAHN
CCCCCCC(=O)N(CCN(C)C)Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC	ZINC000034921509	569672379	/nfs/dbraw/zinc/67/23/79/569672379.db2.gz	HUCOVIFREJVTNM-UHFFFAOYSA-N	0	3	469.692	4.122	50	10		JICAHN
O=C1c2ccccc2-c2onc3c2c1c(N1CCOCC1)cc3N1CCN(C2CCCCC2)CC1	ZINC000009641556	555352430	/nfs/dbraw/zinc/35/24/30/555352430.db2.gz	KESBNXGNFLHJQP-UHFFFAOYSA-N	0	3	472.589	4.331	50	10		JICAHN
CN(C)CCCNc1cc(N2CCN(c3ccccn3)CC2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000020322483	555770852	/nfs/dbraw/zinc/77/08/52/555770852.db2.gz	DKQPSLLARRMJEQ-UHFFFAOYSA-N	0	3	482.588	4.124	50	10		JICAHN
CN1CCCc2cc(CNC(=O)c3ccc(CN4CCC(Cc5ccccc5)CC4)[nH]c3=O)ccc21	ZINC000012247895	555947260	/nfs/dbraw/zinc/94/72/60/555947260.db2.gz	BJLNVCSYHLGWIK-UHFFFAOYSA-N	0	3	484.644	4.142	50	10		JICAHN
COc1ccc(N2CCN(c3nccc4ccc(C(=O)NCCN5CCCCCC5)cc43)CC2)cc1	ZINC000065002087	524439392	/nfs/dbraw/zinc/43/93/92/524439392.db2.gz	ODKAWQSFZYYJQR-UHFFFAOYSA-N	0	3	487.648	4.176	50	10		JICAHN
COc1cccc(C[NH+]2CCC([C@]3(Cc4ccccc4Cl)NC(=O)N(CC4CC4)C3=O)CC2)c1[O-]	ZINC000014882454	525936422	/nfs/dbraw/zinc/93/64/22/525936422.db2.gz	VJAHDOWQARIAAR-MHZLTWQESA-N	0	3	498.023	4.210	50	10		JICAHN
CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3ccc(N(CC)CC)cc3)CC2)CC1	ZINC000009849761	555552020	/nfs/dbraw/zinc/55/20/20/555552020.db2.gz	YIKQCWGKVPVQOA-UHFFFAOYSA-N	0	3	478.681	4.492	50	10		JICAHN
COc1cc(C[C@H]2CC(CN[C@H](C)c3ccc(N4CCCCC4)cc3)=NO2)c(OC)c2c1OCO2	ZINC000015084036	555874346	/nfs/dbraw/zinc/87/43/46/555874346.db2.gz	XBBRUIHTLGOVOW-JPYJTQIMSA-N	0	3	481.593	4.461	50	10		JICAHN
CCN(CC)c1ccc(CN(CCN(C)C)C(=O)Nc2ccc(C)cc2)c(OS(=O)(=O)CC)c1	ZINC000034921764	569672591	/nfs/dbraw/zinc/67/25/91/569672591.db2.gz	YDHWVLJLATUANL-UHFFFAOYSA-N	0	3	490.670	4.165	50	10		JICAHN
CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1	ZINC000137536542	569864975	/nfs/dbraw/zinc/86/49/75/569864975.db2.gz	SCPFZMLSOGXVIX-YTFSRNRJSA-N	0	3	492.919	4.365	50	10		JICAHN
CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1	ZINC000169688926	569871393	/nfs/dbraw/zinc/87/13/93/569871393.db2.gz	SCPFZMLSOGXVIX-DNVJHFABSA-N	0	3	492.919	4.365	50	10		JICAHN
CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(C/C=C/c1ccc(N(C)C)cc1)CC2	ZINC000014733365	521525209	/nfs/dbraw/zinc/52/52/09/521525209.db2.gz	MNFIDWVZLPLJSN-BQYQJAHWSA-N	0	3	472.633	4.052	50	10		JICAHN
O=C1C(=CNC2CCN(Cc3ccccc3)CC2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	ZINC000020024590	555602619	/nfs/dbraw/zinc/60/26/19/555602619.db2.gz	KZLOGYUHMYMPKI-UHFFFAOYSA-N	0	3	496.636	4.489	50	10		JICAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccccc3O)[C@H]2C(=O)N1c1ccc(Br)cc1	ZINC000020060216	555623281	/nfs/dbraw/zinc/62/32/81/555623281.db2.gz	MRJIAYAOKOGDKM-NJDAHSKKSA-N	0	3	465.303	4.206	50	10		JICAHN
CN1CCN(c2ccc(CNC(=O)Cn3ccc4c3ccnc4SCc3ccccc3)cc2)CC1	ZINC000033298623	523926218	/nfs/dbraw/zinc/92/62/18/523926218.db2.gz	LVSIXQUZPQMJAZ-UHFFFAOYSA-N	0	3	485.657	4.397	50	10		JICAHN
CCOc1cc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc(OCC)c1OCC	ZINC000008963345	554838270	/nfs/dbraw/zinc/83/82/70/554838270.db2.gz	DSIUTNYJFXHHOI-DEOSSOPVSA-N	0	3	481.637	4.442	50	10		JICAHN
COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1[O-]	ZINC000013000111	556192778	/nfs/dbraw/zinc/19/27/78/556192778.db2.gz	WBPARRCXMXOTTI-UHFFFAOYSA-N	0	3	458.558	4.129	50	10		JICAHN
CCOc1ccc([C@H](NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1OCC	ZINC000027380412	556277699	/nfs/dbraw/zinc/27/76/99/556277699.db2.gz	BBGAHJZDVPRSGX-HHHXNRCGSA-N	0	3	469.626	4.128	50	10		JICAHN
COc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4ccc(N(C)C)cc4)CC3)nc2)c1	ZINC000034681790	569643634	/nfs/dbraw/zinc/64/36/34/569643634.db2.gz	FGDPPAJHLKJOPD-UHFFFAOYSA-N	0	3	459.594	4.121	50	10		JICAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@@H]2C(=O)N1c1ccccc1Br	ZINC000136190396	569864622	/nfs/dbraw/zinc/86/46/22/569864622.db2.gz	MSXMJNKCPKGJFQ-PCCBWWKXSA-N	0	3	465.303	4.206	50	10		JICAHN
COc1cccc(C[C@H](C2CC[NH+](Cc3c([O-])cccc3OC)CC2)N(C)C(=O)c2ccccn2)c1	ZINC000014987183	526076901	/nfs/dbraw/zinc/07/69/01/526076901.db2.gz	LCAZRLGDMUJQHP-AREMUKBSSA-N	0	3	489.616	4.400	50	10		JICAHN
CCOc1cccc(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3cc(C)nn3C)CC2)c1[O-]	ZINC000012037365	555890412	/nfs/dbraw/zinc/89/04/12/555890412.db2.gz	LOLCGGOFSLDMLW-RUZDIDTESA-N	0	3	490.648	4.428	50	10		JICAHN
CCOc1cccc(C[NH+]2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3cc(C)nn3C)CC2)c1[O-]	ZINC000012037368	555890444	/nfs/dbraw/zinc/89/04/44/555890444.db2.gz	LOLCGGOFSLDMLW-VWLOTQADSA-N	0	3	490.648	4.428	50	10		JICAHN
CCN1CCN(c2ccc(NC(=O)COC(=O)c3cc(C)n(-c4ccc(C)cc4)c3C)cc2)CC1	ZINC000014901617	521698210	/nfs/dbraw/zinc/69/82/10/521698210.db2.gz	XGQZRIQMNPSXKV-UHFFFAOYSA-N	0	3	474.605	4.340	50	10		JICAHN
COc1ccc(O)c(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1	ZINC000014888586	524748181	/nfs/dbraw/zinc/74/81/81/524748181.db2.gz	PPKULHRNQJSJSE-DEOSSOPVSA-N	0	3	491.636	4.185	50	10		JICAHN
COc1ccc(N2CCN(C(=O)C3CCN(Cc4cn(C)c5ccc(Cl)cc45)CC3)CC2)cc1	ZINC000035562278	569704779	/nfs/dbraw/zinc/70/47/79/569704779.db2.gz	HGWZSTFXISYTIP-UHFFFAOYSA-N	0	3	481.040	4.401	50	10		JICAHN
COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c1O	ZINC000101114831	569783497	/nfs/dbraw/zinc/78/34/97/569783497.db2.gz	JAIXRIXGWKMHOY-SJBKTWHCSA-N	0	3	495.329	4.214	50	10		JICAHN
COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c1O	ZINC000101114831	569783498	/nfs/dbraw/zinc/78/34/98/569783498.db2.gz	JAIXRIXGWKMHOY-SJBKTWHCSA-N	0	3	495.329	4.214	50	10		JICAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@@H]2C(=O)N1c1ccc(Br)cc1	ZINC000102004909	569808961	/nfs/dbraw/zinc/80/89/61/569808961.db2.gz	MRJIAYAOKOGDKM-PCCBWWKXSA-N	0	3	465.303	4.206	50	10		JICAHN
COc1ccc(N2CCN(c3nccc4ccc(C(=O)NCCN5CCCC[C@H]5C)cc43)CC2)cc1	ZINC000065002092	524439339	/nfs/dbraw/zinc/43/93/39/524439339.db2.gz	NUHZXHPBALISQF-JOCHJYFZSA-N	0	3	487.648	4.174	50	10		JICAHN
CCC[C@]1(C2CCN(Cc3ccc(N(CC)CC)cc3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O	ZINC000011790766	555826944	/nfs/dbraw/zinc/82/69/44/555826944.db2.gz	SZFUNHHUFFSPMQ-SHQCIBLASA-N	0	3	470.658	4.015	50	10		JICAHN
CCN(CC)c1ccc(CN2C[C@@H](NCc3ccc(F)cc3)C[C@H]2C(=O)NCc2cccnc2)cc1	ZINC000032586985	556447240	/nfs/dbraw/zinc/44/72/40/556447240.db2.gz	YVWUWCCAKLAWQP-XCZPVHLTSA-N	0	3	489.639	4.116	50	10		JICAHN
CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1)Cc1ccccc1O	ZINC000034836451	569665708	/nfs/dbraw/zinc/66/57/08/569665708.db2.gz	FXSRREHOQHLQLS-UHFFFAOYSA-N	0	3	451.590	4.189	50	10		JICAHN
CC[NH+]1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@H](c1cc(Br)ccc1[O-])N2	ZINC000065298147	569670721	/nfs/dbraw/zinc/67/07/21/569670721.db2.gz	LKNWMWXCEXRFJZ-LJQANCHMSA-N	0	3	472.383	4.219	50	10	biogenic	JICAHN
COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1	ZINC000229968841	570042801	/nfs/dbraw/zinc/04/28/01/570042801.db2.gz	JZDDPAXVSIKVSU-RBZQAINGSA-N	0	3	477.948	4.466	50	10		JICAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccccc3O)[C@@H]2C(=O)N1c1ccc(Br)cc1	ZINC000230046305	570044077	/nfs/dbraw/zinc/04/40/77/570044077.db2.gz	MRJIAYAOKOGDKM-PWRODBHTSA-N	0	3	465.303	4.206	50	10		JICAHN
COc1ccc([O-])c(C[NH+]2CCC([C@@]3(Cc4ccccc4Cl)NC(=O)N(CC4CC4)C3=O)CC2)c1	ZINC000014988294	524737511	/nfs/dbraw/zinc/73/75/11/524737511.db2.gz	BWGFCEHXMATXGR-HHHXNRCGSA-N	0	3	498.023	4.210	50	10		JICAHN
COc1cc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc(OC)c1OC	ZINC000009137321	554933098	/nfs/dbraw/zinc/93/30/98/554933098.db2.gz	KSMASIHFMPKAIX-HSZRJFAPSA-N	0	3	467.610	4.052	50	10		JICAHN
O=C([C@@H]1CC12CCN(Cc1ccc(N3CCCC3)cc1)CC2)N1CCN(Cc2ccccc2)CC1	ZINC000012056711	555898831	/nfs/dbraw/zinc/89/88/31/555898831.db2.gz	KGESDJKPDPCJNU-NDEPHWFRSA-N	0	3	472.677	4.233	50	10		JICAHN
COc1ccc(N2C(=O)C3ON(c4ccccc4C)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1	ZINC000229997287	570043244	/nfs/dbraw/zinc/04/32/44/570043244.db2.gz	IORQHUCVSKRCCL-ISJGIBHGSA-N	0	3	457.530	4.121	50	10		JICAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@H]2C(=O)N1c1ccccc1Br	ZINC000009428381	555194066	/nfs/dbraw/zinc/19/40/66/555194066.db2.gz	MSXMJNKCPKGJFQ-QHAWAJNXSA-N	0	3	465.303	4.206	50	10		JICAHN
COc1cccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1O	ZINC000011880226	555848291	/nfs/dbraw/zinc/84/82/91/555848291.db2.gz	XEUPSPLTCCVSOP-HSZRJFAPSA-N	0	3	491.636	4.185	50	10		JICAHN
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)C3ON2c2ccccc2)c1O	ZINC000018043742	556279479	/nfs/dbraw/zinc/27/94/79/556279479.db2.gz	ABBJGWSFAACZDO-XJUOHMSHSA-N	0	3	464.905	4.414	50	10		JICAHN
O=C(Nc1ccc(N2CCN(Cc3ccccc3O)CC2)nc1)c1ccccc1C(F)(F)F	ZINC000034681595	569643294	/nfs/dbraw/zinc/64/32/94/569643294.db2.gz	BFLINSZGQJNDHH-UHFFFAOYSA-N	0	3	456.468	4.381	50	10		JICAHN
CCOc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=NC3(CCN(C(C)C)CC3)N2)c1O	ZINC000065298425	569670824	/nfs/dbraw/zinc/67/08/24/569670824.db2.gz	BZFNZXLTIYBBGC-NRFANRHFSA-N	0	3	451.567	4.244	50	10	biogenic	JICAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)c(O)c3)[C@H]2C(=O)N1c1cccc2ccccc21	ZINC000013805010	555622875	/nfs/dbraw/zinc/62/28/75/555622875.db2.gz	JKOBNXOZGUFQCX-UBFVSLLYSA-N	0	3	452.466	4.302	50	10		JICAHN
COc1cccc(C[NH+]2CCC([C@@]3(CC(C)C)NC(=O)N(CCc4cccs4)C3=O)CC2)c1[O-]	ZINC000012191443	555938782	/nfs/dbraw/zinc/93/87/82/555938782.db2.gz	KAQCZVVHLTVQCT-AREMUKBSSA-N	0	3	485.650	4.254	50	10		JICAHN
COc1ccc([O-])c(C[NH+]2CCC([C@]3(Cc4ccc(F)cc4)NC(=O)N(C4CCCC4)C3=O)CC2)c1	ZINC000014990979	524737533	/nfs/dbraw/zinc/73/75/33/524737533.db2.gz	KRFXQEVTWBLOIO-NDEPHWFRSA-N	0	3	495.595	4.228	50	10		JICAHN
CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CC[NH+](Cc1ccccc1[O-])CC2	ZINC000012165453	555932848	/nfs/dbraw/zinc/93/28/48/555932848.db2.gz	CWRHNVJFJSKJHY-FTJBHMTQSA-N	0	3	462.615	4.416	50	10		JICAHN
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c1O	ZINC000017885941	556269673	/nfs/dbraw/zinc/26/96/73/556269673.db2.gz	JAIXRIXGWKMHOY-VWPQPMDRSA-N	0	3	495.329	4.214	50	10		JICAHN
CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000137536126	569865015	/nfs/dbraw/zinc/86/50/15/569865015.db2.gz	NCMVZFVLJJQUDY-YTFSRNRJSA-N	0	3	492.919	4.365	50	10		JICAHN
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c1O	ZINC000102744723	569819694	/nfs/dbraw/zinc/81/96/94/569819694.db2.gz	JAIXRIXGWKMHOY-TUNNFDKTSA-N	0	3	495.329	4.214	50	10		JICAHN
COc1ccc(N2CCN(C(=O)COc3ccc(-c4ccccc4)cc3CN(C)C)CC2)cc1	ZINC000299766398	570175209	/nfs/dbraw/zinc/17/52/09/570175209.db2.gz	DEPMUSYAPQFDLU-UHFFFAOYSA-N	0	3	459.590	4.151	50	10		JICAHN
CCN1CCC2(CC1)N=C(c1ccc(Br)cc1)C[C@@H](c1cccc(OC)c1O)N2	ZINC000065298214	517655179	/nfs/dbraw/zinc/65/51/79/517655179.db2.gz	WXAQGIXWVYLZIT-FQEVSTJZSA-N	0	3	458.400	4.499	50	10	biogenic	JICAHN
COc1ccc(N2CCN(c3nccc4ccc(C(=O)NCCN5CCCC[C@@H]5C)cc43)CC2)cc1	ZINC000065002095	524438413	/nfs/dbraw/zinc/43/84/13/524438413.db2.gz	NUHZXHPBALISQF-QFIPXVFZSA-N	0	3	487.648	4.174	50	10		JICAHN
COc1ccc([O-])c(C[NH+]2CCC([C@@]3(Cc4ccc(F)cc4)NC(=O)N(C4CCCC4)C3=O)CC2)c1	ZINC000014990977	524736042	/nfs/dbraw/zinc/73/60/42/524736042.db2.gz	KRFXQEVTWBLOIO-MUUNZHRXSA-N	0	3	495.595	4.228	50	10		JICAHN
COc1ccc([O-])c(C[NH+]2CCC([C@]3(Cc4ccccc4Cl)NC(=O)N(CC4CC4)C3=O)CC2)c1	ZINC000014988297	524738978	/nfs/dbraw/zinc/73/89/78/524738978.db2.gz	BWGFCEHXMATXGR-MHZLTWQESA-N	0	3	498.023	4.210	50	10		JICAHN
COc1cccc(C[C@@H](C2CC[NH+](Cc3c([O-])cccc3OC)CC2)N(C)C(=O)c2ccccn2)c1	ZINC000014987181	526072814	/nfs/dbraw/zinc/07/28/14/526072814.db2.gz	LCAZRLGDMUJQHP-SANMLTNESA-N	0	3	489.616	4.400	50	10		JICAHN
CCOc1cccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccc(OC)cc2)C(=O)N3CC(C)C)c1[O-]	ZINC000014533790	555821931	/nfs/dbraw/zinc/82/19/31/555821931.db2.gz	KKDDTUMVVFDLGZ-UHFFFAOYSA-N	0	3	495.620	4.255	50	10		JICAHN
CCOc1ccc([C@@H](NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1OCC	ZINC000027380408	556277781	/nfs/dbraw/zinc/27/77/81/556277781.db2.gz	BBGAHJZDVPRSGX-MHZLTWQESA-N	0	3	469.626	4.128	50	10		JICAHN
Cc1cccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)C2CCN(Cc3ccccc3O)CC2)c1	ZINC000034683992	569644782	/nfs/dbraw/zinc/64/47/82/569644782.db2.gz	DRXABOSTTSCLTP-UHFFFAOYSA-N	0	3	480.586	4.289	50	10		JICAHN
CCOc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=NC3(CCN(C(C)C)CC3)N2)c1O	ZINC000065298430	569670839	/nfs/dbraw/zinc/67/08/39/569670839.db2.gz	BZFNZXLTIYBBGC-OAQYLSRUSA-N	0	3	451.567	4.244	50	10	biogenic	JICAHN
COc1ccc(N2C(=O)C3ON(c4ccccc4C)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1	ZINC000100723738	569767994	/nfs/dbraw/zinc/76/79/94/569767994.db2.gz	IORQHUCVSKRCCL-CCDWMCETSA-N	0	3	457.530	4.121	50	10		JICAHN
COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)C(C(=O)c2ccccc2F)[C@@]12C(=O)Nc1ccccc12	ZINC000245312006	570063535	/nfs/dbraw/zinc/06/35/35/570063535.db2.gz	RQHRUNVIBHBZCX-QNVWVOQGSA-N	0	3	482.511	4.397	50	10		JICAHN
COc1ccc2c(c1)C=C[C@@H]1N2[C@@H](C(C)=O)C(C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12	ZINC000009273107	555045373	/nfs/dbraw/zinc/04/53/73/555045373.db2.gz	BRUAMEXMFBBSCU-IPVQETTRSA-N	0	3	470.550	4.319	50	10		JICAHN
CCOC(=O)C1CCN(c2cc(NCCCN(C)C)c3c4c2noc4-c2ccccc2C3=O)CC1	ZINC000020322470	555770695	/nfs/dbraw/zinc/77/06/95/555770695.db2.gz	BKQPEJKWSKGKLQ-UHFFFAOYSA-N	0	3	476.577	4.182	50	10		JICAHN
CN1CCCc2cc(CNC(=O)c3ccc(CN4CCC(c5ccccc5)CC4)[nH]c3=O)ccc21	ZINC000012152269	555925991	/nfs/dbraw/zinc/92/59/91/555925991.db2.gz	BOKUNSDDOYCGGU-UHFFFAOYSA-N	0	3	470.617	4.067	50	10		JICAHN
COc1ccccc1C(=O)Nc1cccc(N2CCC(N3CCC(O)(c4ccccn4)CC3)CC2)c1	ZINC000012455766	555981147	/nfs/dbraw/zinc/98/11/47/555981147.db2.gz	FCYQGGBYBLPJSZ-UHFFFAOYSA-N	0	3	486.616	4.295	50	10		JICAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccccc3O)[C@@H]2C(=O)N1c1ccccc1Br	ZINC000136602404	569864689	/nfs/dbraw/zinc/86/46/89/569864689.db2.gz	MSXMJNKCPKGJFQ-PWRODBHTSA-N	0	3	465.303	4.206	50	10		JICAHN
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)C3ON2c2ccccc2)c1O	ZINC000143588434	569867624	/nfs/dbraw/zinc/86/76/24/569867624.db2.gz	ABBJGWSFAACZDO-QZNHQXDQSA-N	0	3	464.905	4.414	50	10		JICAHN
CCOc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000065298112	520930594	/nfs/dbraw/zinc/93/05/94/520930594.db2.gz	YZCRPHLONGEJHM-NRFANRHFSA-N	0	3	458.400	4.499	50	10	biogenic	JICAHN
CCC[C@]1(C2CCN(Cc3ccc(N(CC)CC)cc3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O	ZINC000011790764	555826914	/nfs/dbraw/zinc/82/69/14/555826914.db2.gz	SZFUNHHUFFSPMQ-RPLLCQBOSA-N	0	3	470.658	4.015	50	10		JICAHN
O=C1N(Cc2ccccc2)C(=O)C2(CC[NH+](Cc3ccccc3[O-])CC2)N1CCc1ccccc1	ZINC000014538303	555827750	/nfs/dbraw/zinc/82/77/50/555827750.db2.gz	UQSVKPLMRTVASA-UHFFFAOYSA-N	0	3	469.585	4.434	50	10		JICAHN
COc1cc(C[C@@H]2CC(CN[C@H](C)c3ccc(N4CCCCC4)cc3)=NO2)c(OC)c2c1OCO2	ZINC000015084034	555874234	/nfs/dbraw/zinc/87/42/34/555874234.db2.gz	XBBRUIHTLGOVOW-WZONZLPQSA-N	0	3	481.593	4.461	50	10		JICAHN
CCC[C@@]1(C2CCN(Cc3ccc(N(CC)CC)cc3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O	ZINC000011790763	555826970	/nfs/dbraw/zinc/82/69/70/555826970.db2.gz	SZFUNHHUFFSPMQ-IGKIAQTJSA-N	0	3	470.658	4.015	50	10		JICAHN
COc1cccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NC3(CCN(C(C)C)CC3)N2)c1O	ZINC000065298238	569670656	/nfs/dbraw/zinc/67/06/56/569670656.db2.gz	KAMMXNQOUZOJNM-OAQYLSRUSA-N	0	3	453.583	4.142	50	10	biogenic	JICAHN
COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)C3ON2c2ccccc2)c1O	ZINC000101050336	569780560	/nfs/dbraw/zinc/78/05/60/569780560.db2.gz	ABBJGWSFAACZDO-XPNTWCBSSA-N	0	3	464.905	4.414	50	10		JICAHN
COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)C(C(=O)c2ccccc2F)[C@@]12C(=O)Nc1ccccc12	ZINC000245312004	570063603	/nfs/dbraw/zinc/06/36/03/570063603.db2.gz	RQHRUNVIBHBZCX-OSSDZZHWSA-N	0	3	482.511	4.397	50	10		JICAHN
COc1ccc(N2C(=O)C3ON(c4ccccc4C)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1	ZINC000011917810	555868576	/nfs/dbraw/zinc/86/85/76/555868576.db2.gz	IORQHUCVSKRCCL-DSNGMDLFSA-N	0	3	457.530	4.121	50	10		JICAHN
O=S(=O)(c1ccc(F)cc1)N(c1ccc2c(c1)OCO2)C1CCN(Cc2ccccc2O)CC1	ZINC000034683985	569644852	/nfs/dbraw/zinc/64/48/52/569644852.db2.gz	JRJUHYXKYLDRHG-UHFFFAOYSA-N	0	3	484.549	4.120	50	10		JICAHN
CCOc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000065298114	569670735	/nfs/dbraw/zinc/67/07/35/569670735.db2.gz	YZCRPHLONGEJHM-OAQYLSRUSA-N	0	3	458.400	4.499	50	10	biogenic	JICAHN
COc1ccc(O)c(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1	ZINC000014888584	524744794	/nfs/dbraw/zinc/74/47/94/524744794.db2.gz	PPKULHRNQJSJSE-XMMPIXPASA-N	0	3	491.636	4.185	50	10		JICAHN
O=C1C2ON(c3ccccc3)[C@H](c3ccccc3O)[C@H]2C(=O)N1c1ccccc1Br	ZINC000013688067	555581188	/nfs/dbraw/zinc/58/11/88/555581188.db2.gz	MSXMJNKCPKGJFQ-NJDAHSKKSA-N	0	3	465.303	4.206	50	10		JICAHN
COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1ccccc1[O-])CC2	ZINC000014533087	555821293	/nfs/dbraw/zinc/82/12/93/555821293.db2.gz	WMTCRPUKGIGRKR-UHFFFAOYSA-N	0	3	487.600	4.381	50	10		JICAHN
Cc1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)C2CCN(Cc3ccccc3O)CC2)cc1	ZINC000034683980	569644764	/nfs/dbraw/zinc/64/47/64/569644764.db2.gz	VZTMXUAEZNZHLY-UHFFFAOYSA-N	0	3	480.586	4.289	50	10		JICAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccc(O)c(O)c3)[C@@H]2C(=O)N1c1cccc2ccccc21	ZINC000137915408	569865400	/nfs/dbraw/zinc/86/54/00/569865400.db2.gz	JKOBNXOZGUFQCX-CCDWMCETSA-N	0	3	452.466	4.302	50	10		JICAHN
COc1cccc(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3cc(C)nn3C)CC2)c1[O-]	ZINC000012204629	525932638	/nfs/dbraw/zinc/93/26/38/525932638.db2.gz	KOWUVMXLLQAPSO-XMMPIXPASA-N	0	3	476.621	4.038	50	10		JICAHN
CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(Cc3ccccc3O)CC2)n1	ZINC000037380668	569785002	/nfs/dbraw/zinc/78/50/02/569785002.db2.gz	ARLHCAWYMNAMGZ-UHFFFAOYSA-N	0	3	460.557	4.243	50	10		JICAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(OC)c4O)[C@H]3C2=O)cc1	ZINC000102735429	569818591	/nfs/dbraw/zinc/81/85/91/569818591.db2.gz	GJVVOBSDBLTNQQ-GIFXNVAJSA-N	0	3	474.513	4.241	50	10		JICAHN
CCN1CCN(c2ccc(NC(=O)COC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)cc2)CC1	ZINC000014902324	521698222	/nfs/dbraw/zinc/69/82/22/521698222.db2.gz	SBQQQPASNOYYMY-UHFFFAOYSA-N	0	3	478.568	4.171	50	10		JICAHN
O=C(Nc1ccc(N2CCN(Cc3ccccc3O)CC2)nc1)c1ccc(C(F)(F)F)cc1	ZINC000095538842	569726280	/nfs/dbraw/zinc/72/62/80/569726280.db2.gz	ZSGAEDGUZAUJPR-UHFFFAOYSA-N	0	3	456.468	4.381	50	10		JICAHN
COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1	ZINC000101268017	569788557	/nfs/dbraw/zinc/78/85/57/569788557.db2.gz	JZDDPAXVSIKVSU-TZRRMPRUSA-N	0	3	477.948	4.466	50	10		JICAHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(OC)c4O)[C@@H]3C2=O)cc1	ZINC000229998376	570043207	/nfs/dbraw/zinc/04/32/07/570043207.db2.gz	GJVVOBSDBLTNQQ-JBRSBNLGSA-N	0	3	474.513	4.241	50	10		JICAHN
CCC[C@@]1(C2CCN(Cc3ccc(N(CC)CC)cc3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O	ZINC000011790765	555826893	/nfs/dbraw/zinc/82/68/93/555826893.db2.gz	SZFUNHHUFFSPMQ-SQHAQQRYSA-N	0	3	470.658	4.015	50	10		JICAHN
COc1cccc(C[NH+]2CCC([C@]3(CC(C)C)NC(=O)N(CCc4cccs4)C3=O)CC2)c1[O-]	ZINC000012191444	555938823	/nfs/dbraw/zinc/93/88/23/555938823.db2.gz	KAQCZVVHLTVQCT-SANMLTNESA-N	0	3	485.650	4.254	50	10		JICAHN
COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1	ZINC000238900788	570047614	/nfs/dbraw/zinc/04/76/14/570047614.db2.gz	JZDDPAXVSIKVSU-WXFUMESZSA-N	0	3	477.948	4.466	50	10		JICAHN
CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccc(N3CCCC3)cc1)CC2	ZINC000014740578	521525934	/nfs/dbraw/zinc/52/59/34/521525934.db2.gz	RDDNGEWEYVTDBP-UHFFFAOYSA-N	0	3	472.633	4.073	50	10		JICAHN
CCN(CC)CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1	ZINC000006511889	554548572	/nfs/dbraw/zinc/54/85/72/554548572.db2.gz	RZRINMIJCXBOOQ-PGMHBOJBSA-N	0	3	497.642	4.025	50	10		JICAHN
O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@H]2C(=O)N1c1ccc(Br)cc1	ZINC000020060218	555623161	/nfs/dbraw/zinc/62/31/61/555623161.db2.gz	MRJIAYAOKOGDKM-QHAWAJNXSA-N	0	3	465.303	4.206	50	10		JICAHN
COc1cc(C[C@H]2CC(CN[C@@H](C)c3ccc(N4CCCCC4)cc3)=NO2)c(OC)c2c1OCO2	ZINC000015084031	555874254	/nfs/dbraw/zinc/87/42/54/555874254.db2.gz	XBBRUIHTLGOVOW-MBSDFSHPSA-N	0	3	481.593	4.461	50	10		JICAHN
O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCC[N@@H+](Cc3ccccc3[O-])CC2)nc1	ZINC000034681715	569643470	/nfs/dbraw/zinc/64/34/70/569643470.db2.gz	ZQUGSNDIYWMMKT-UHFFFAOYSA-N	0	3	466.969	4.170	50	10		JICAHN
O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCC[N@H+](Cc3ccccc3[O-])CC2)nc1	ZINC000034681715	569643471	/nfs/dbraw/zinc/64/34/71/569643471.db2.gz	ZQUGSNDIYWMMKT-UHFFFAOYSA-N	0	3	466.969	4.170	50	10		JICAHN