smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NCCc1ccncc1)[C@]1(c2ccccc2)CC12CCCC2	ZINC000216917151	201502737	/nfs/dbraw/zinc/50/27/37/201502737.db2.gz	BPRWIZQQZNBZSI-OAQYLSRUSA-N	0	0	320.436	3.642	50	70		DHIARN
O=C(CSc1ccncc1)N1CC[C@H](C2CCCCC2)C1	ZINC000218464446	201539553	/nfs/dbraw/zinc/53/95/53/201539553.db2.gz	PCSZFFQDPKYCRK-HNNXBMFYSA-N	0	0	304.459	3.603	50	70		DHIARN
CCCOc1ccccc1C(=O)N(Cc1ccncc1)C1CC1	ZINC000218087155	563715414	/nfs/dbraw/zinc/71/54/14/563715414.db2.gz	IRQCSQLKIKFBSK-UHFFFAOYSA-N	0	0	310.397	3.675	50	70		DHIARN
O=C(c1ccncc1F)N1CC[C@@H](c2cccc(Cl)c2)C1	ZINC000218464898	563716140	/nfs/dbraw/zinc/71/61/40/563716140.db2.gz	QAYJANOLWFGIPB-GFCCVEGCSA-N	0	0	304.752	3.504	50	70		DHIARN
O=C(NCc1ccc(-c2ccccc2)cc1)[C@H]1CCC[C@H](O)C1	ZINC000218721482	563717028	/nfs/dbraw/zinc/71/70/28/563717028.db2.gz	NOIJEMGAJDFBCM-OALUTQOASA-N	0	0	309.409	3.521	50	70		DHIARN
O=C(/C=C/c1ccccc1Cl)NCC[C@@H](O)c1ccsc1	ZINC000217530913	563943666	/nfs/dbraw/zinc/94/36/66/563943666.db2.gz	JVMFRGJXIABIOB-LLYBFZRZSA-N	0	0	321.829	3.655	50	70		DHIARN
O=S(=O)(C1CCCCC1)N1CCCC[C@@H](c2ccccc2)C1	ZINC000217288541	201513430	/nfs/dbraw/zinc/51/34/30/201513430.db2.gz	ZJMVUBOGFIHLHD-QGZVFWFLSA-N	0	0	321.486	3.919	50	70		DHIARN
Cc1cc2c(c(=O)o1)[C@H](c1cccc3ccccc31)CC(=O)O2	ZINC000218113518	201532032	/nfs/dbraw/zinc/53/20/32/201532032.db2.gz	RDVMVRQYUGXOFD-HNNXBMFYSA-N	0	0	306.317	3.542	50	70		DHIARN
Cc1nc(NC(=O)C2(c3ccccc3)CCC2)cc(C2CC2)n1	ZINC000160059414	334863605	/nfs/dbraw/zinc/86/36/05/334863605.db2.gz	RWLMLCWZOHUKOZ-UHFFFAOYSA-N	0	0	307.397	3.723	50	70		DHIARN
CCSCc1cccc(NC2CCC(NC(C)=O)CC2)c1	ZINC000161187487	337383502	/nfs/dbraw/zinc/38/35/02/337383502.db2.gz	GKXLOGRPHGGEQW-UHFFFAOYSA-N	0	0	306.475	3.799	50	70		DHIARN
O=C(CCCOc1ccccc1)N1CCCC[C@@H]1c1ccccn1	ZINC000217151446	563712995	/nfs/dbraw/zinc/71/29/95/563712995.db2.gz	MDYFSQSAJYBKMB-LJQANCHMSA-N	0	0	324.424	3.994	50	70		DHIARN
Cc1ccc(CCNC(=O)c2ccccc2N2CCCC2)s1	ZINC000218071114	563715353	/nfs/dbraw/zinc/71/53/53/563715353.db2.gz	YDIQITWGKMLRFA-UHFFFAOYSA-N	0	0	314.454	3.629	50	70		DHIARN
Cc1sc(Cl)nc1C(=O)Nc1ccc(F)c(F)c1F	ZINC000218372066	563716012	/nfs/dbraw/zinc/71/60/12/563716012.db2.gz	HZGQILYJOKUIFE-UHFFFAOYSA-N	0	0	306.696	3.775	50	70		DHIARN
O=C(NCc1cc(C2CC2)on1)c1ccc(-c2ccco2)cc1	ZINC000218283470	563716302	/nfs/dbraw/zinc/71/63/02/563716302.db2.gz	BXHQPGFSGQXUGE-UHFFFAOYSA-N	0	0	308.337	3.742	50	70		DHIARN
Cc1ccc(F)c(NC(=O)c2csc([C@H]3CCCO3)n2)c1	ZINC000160628805	197427838	/nfs/dbraw/zinc/42/78/38/197427838.db2.gz	DXXNDKRWLMBJJM-CYBMUJFWSA-N	0	0	306.362	3.694	50	70		DHIARN
CC[C@@H](NC(=O)CSCc1ccccc1C)c1cccnc1	ZINC000218570725	257274040	/nfs/dbraw/zinc/27/40/40/257274040.db2.gz	IPAGLZLNNAKOLZ-QGZVFWFLSA-N	0	0	314.454	3.891	50	70		DHIARN
CC(C)(C)c1ccc(C(=O)NCC[C@H](O)c2ccsc2)cc1	ZINC000217529479	563943668	/nfs/dbraw/zinc/94/36/68/563943668.db2.gz	YSPCOBRYTUWPKK-INIZCTEOSA-N	0	0	317.454	3.899	50	70		DHIARN
O=C(c1ccc2[nH]cnc2c1)N1CCCC[C@H](c2ccccc2)C1	ZINC000217490142	563943744	/nfs/dbraw/zinc/94/37/44/563943744.db2.gz	PWZLETSGKJHVGG-KRWDZBQOSA-N	0	0	319.408	3.973	50	70		DHIARN
O=C(NCc1cccs1)N1CCS[C@H]1c1ccccc1F	ZINC000217630202	563943926	/nfs/dbraw/zinc/94/39/26/563943926.db2.gz	NSGNOEYJQGHGQS-AWEZNQCLSA-N	0	0	322.430	3.844	50	70		DHIARN
Cc1ccc(F)c(NC(=O)c2csc([C@@H]3CCCO3)n2)c1	ZINC000160628663	197427681	/nfs/dbraw/zinc/42/76/81/197427681.db2.gz	DXXNDKRWLMBJJM-ZDUSSCGKSA-N	0	0	306.362	3.694	50	70		DHIARN
COCc1csc(NC(=O)N2C[C@H](C)[C@H]2c2ccccc2)n1	ZINC000161364607	337383477	/nfs/dbraw/zinc/38/34/77/337383477.db2.gz	SQECJIZRJPPUDA-FZMZJTMJSA-N	0	0	317.414	3.514	50	70		DHIARN
Cc1ccc(NC(=O)NCC[C@@H](O)c2ccsc2)cc1C	ZINC000217545776	563943658	/nfs/dbraw/zinc/94/36/58/563943658.db2.gz	JVKYNMASVJSCEW-OAHLLOKOSA-N	0	0	304.415	3.610	50	70		DHIARN
O=C(Cc1cccs1)N1CCCC[C@H]1CCc1ccccn1	ZINC000218052876	563715223	/nfs/dbraw/zinc/71/52/23/563715223.db2.gz	VRKKOCHWINLTKQ-INIZCTEOSA-N	0	0	314.454	3.700	50	70		DHIARN
O=C(c1ccncc1F)N1CC[C@H](c2cccc(Cl)c2)C1	ZINC000218464957	563715933	/nfs/dbraw/zinc/71/59/33/563715933.db2.gz	QAYJANOLWFGIPB-LBPRGKRZSA-N	0	0	304.752	3.504	50	70		DHIARN
COc1cccc([C@H]2SCCN2C(=O)c2ccccc2C)c1	ZINC000217637088	563943852	/nfs/dbraw/zinc/94/38/52/563943852.db2.gz	HZCMJMHUEZJIAR-GOSISDBHSA-N	0	0	313.422	3.891	50	70		DHIARN
Cc1ccc(OCC(=O)N2CCCC[C@H]2c2ccccn2)cc1C	ZINC000217343029	563713236	/nfs/dbraw/zinc/71/32/36/563713236.db2.gz	RBXHAJDRZPPRDE-IBGZPJMESA-N	0	0	324.424	3.831	50	70		DHIARN
CSCc1ccc(C(=O)N2CCCC[C@@H]2c2ccccn2)o1	ZINC000217871921	563714631	/nfs/dbraw/zinc/71/46/31/563714631.db2.gz	RCLLXLARACKJIC-OAHLLOKOSA-N	0	0	316.426	3.905	50	70		DHIARN
Cc1noc(C)c1CN(C)C(=O)c1scc2c1CCCC2	ZINC000218376769	563715956	/nfs/dbraw/zinc/71/59/56/563715956.db2.gz	JHFHUKXWWXRWMM-UHFFFAOYSA-N	0	0	304.415	3.504	50	70		DHIARN
COc1cccc([C@@H]2SCCN2C(=O)c2ccccc2C)c1	ZINC000217637167	563943861	/nfs/dbraw/zinc/94/38/61/563943861.db2.gz	HZCMJMHUEZJIAR-SFHVURJKSA-N	0	0	313.422	3.891	50	70		DHIARN
O=C(Cn1ccc2ccccc21)N1CCCC[C@H]1c1cccnc1	ZINC000217953176	563944294	/nfs/dbraw/zinc/94/42/94/563944294.db2.gz	MKJBJQDCXAOXJH-IBGZPJMESA-N	0	0	319.408	3.790	50	70		DHIARN
Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccon2)ccc1F	ZINC000217004405	201506644	/nfs/dbraw/zinc/50/66/44/201506644.db2.gz	UZANBFFXBRJODY-QDMKHBRRSA-N	0	0	314.360	3.673	50	70		DHIARN
Cc1ccc(NC(=O)c2csc([C@@H]3CCCO3)n2)c(F)c1	ZINC000160623450	332839741	/nfs/dbraw/zinc/83/97/41/332839741.db2.gz	XQCDBYVEEDRBGW-ZDUSSCGKSA-N	0	0	306.362	3.694	50	70		DHIARN
C[C@H](C(=O)Nc1ccc(-c2nccs2)cc1)C1CCOCC1	ZINC000161119457	197466407	/nfs/dbraw/zinc/46/64/07/197466407.db2.gz	HREADMAHKIRCAS-LBPRGKRZSA-N	0	0	316.426	3.811	50	70		DHIARN
Cc1ccccc1CN(C)C(=O)[C@H](C)Sc1ccncc1	ZINC000160004834	525126172	/nfs/dbraw/zinc/12/61/72/525126172.db2.gz	SNRMSENCPITDNJ-AWEZNQCLSA-N	0	0	300.427	3.529	50	70		DHIARN
CC(=O)c1ccc(F)cc1C[C@H]1CC(=O)N(c2ccccc2)C1	ZINC000218741054	563716863	/nfs/dbraw/zinc/71/68/63/563716863.db2.gz	PJRLNDCXVQPQOB-AWEZNQCLSA-N	0	0	311.356	3.624	50	70		DHIARN
CC1(C)CCC(C(=O)NCc2nc(C(F)(F)F)cs2)CC1	ZINC000160624205	563865123	/nfs/dbraw/zinc/86/51/23/563865123.db2.gz	QAOWWCJIEHYETO-UHFFFAOYSA-N	0	0	320.380	3.995	50	70		DHIARN
COc1cccc(C(=O)NCC2(c3ccsc3)CCCC2)c1	ZINC000217480211	563943724	/nfs/dbraw/zinc/94/37/24/563943724.db2.gz	PSAHVDXYKRYBRD-UHFFFAOYSA-N	0	0	315.438	3.999	50	70		DHIARN
O=C([C@H]1CCCCO1)N(Cc1c(F)cccc1Cl)C1CC1	ZINC000160239110	197395287	/nfs/dbraw/zinc/39/52/87/197395287.db2.gz	HASVYNFQNLFDMX-OAHLLOKOSA-N	0	0	311.784	3.539	50	70		DHIARN
Cc1ccc([C@]2(C(=O)NCc3ccncc3C)CC2(C)C)cc1	ZINC000218201978	563716335	/nfs/dbraw/zinc/71/63/35/563716335.db2.gz	AHOKJNVSSCILMF-FQEVSTJZSA-N	0	0	308.425	3.683	50	70		DHIARN
CCc1ccc(-c2ccc(C(=O)Nc3c[nH]c(=O)c(C)c3)o2)cc1	ZINC000159672595	563785566	/nfs/dbraw/zinc/78/55/66/563785566.db2.gz	IVCZEBXBBLBREQ-UHFFFAOYSA-N	0	0	322.364	3.758	50	70		DHIARN
COc1ccc([C@H]2SCCN2C(=O)/C=C/c2ccco2)cc1	ZINC000217628002	563943833	/nfs/dbraw/zinc/94/38/33/563943833.db2.gz	XUMNNVJWTBQKRF-KBOKABMXSA-N	0	0	315.394	3.576	50	70		DHIARN
O=C(CCCc1cccs1)NC[C@H]1OCCc2ccccc21	ZINC000217097618	568416209	/nfs/dbraw/zinc/41/62/09/568416209.db2.gz	RUDJPSBBSIBSNM-QGZVFWFLSA-N	0	0	315.438	3.501	50	70		DHIARN
CC(=O)c1ccc(F)cc1C[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000218740991	201541131	/nfs/dbraw/zinc/54/11/31/201541131.db2.gz	PJRLNDCXVQPQOB-CQSZACIVSA-N	0	0	311.356	3.624	50	70		DHIARN
O=C([C@@H]1CCCCO1)N(Cc1c(F)cccc1Cl)C1CC1	ZINC000160238963	197394712	/nfs/dbraw/zinc/39/47/12/197394712.db2.gz	HASVYNFQNLFDMX-HNNXBMFYSA-N	0	0	311.784	3.539	50	70		DHIARN
COCc1csc(NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)n1	ZINC000161364743	337383455	/nfs/dbraw/zinc/38/34/55/337383455.db2.gz	SQECJIZRJPPUDA-BXUZGUMPSA-N	0	0	317.414	3.514	50	70		DHIARN
Cc1csc(C2(NC(=O)CCCn3cccc3)CCCC2)n1	ZINC000159516176	526323301	/nfs/dbraw/zinc/32/33/01/526323301.db2.gz	CDVCDUFHGGYOFR-UHFFFAOYSA-N	0	0	317.458	3.619	50	70		DHIARN
Cc1ncsc1CCN(C)C(=O)CSc1ccccc1C	ZINC000216984573	563712558	/nfs/dbraw/zinc/71/25/58/563712558.db2.gz	XAFCODGOIORQAA-UHFFFAOYSA-N	0	0	320.483	3.553	50	70		DHIARN
Cc1sc(Cl)nc1C(=O)Nc1nc2c(s1)CCCC2	ZINC000218129538	563715280	/nfs/dbraw/zinc/71/52/80/563715280.db2.gz	AJBGUZHCDNXEOD-UHFFFAOYSA-N	0	0	313.835	3.693	50	70		DHIARN
O=C(Cc1cccs1)N1CCCC[C@@H]1CCc1ccccn1	ZINC000218052802	563715292	/nfs/dbraw/zinc/71/52/92/563715292.db2.gz	VRKKOCHWINLTKQ-MRXNPFEDSA-N	0	0	314.454	3.700	50	70		DHIARN
Cc1cc(Cl)ccc1C(=O)Nc1ccc2c(c1)NC(=O)CC2	ZINC000159842010	563788707	/nfs/dbraw/zinc/78/87/07/563788707.db2.gz	AQERNFCBTLEEAB-UHFFFAOYSA-N	0	0	314.772	3.785	50	70		DHIARN
CCc1ncnc(N[C@H]2CCO[C@H](c3ccccc3)C2)c1F	ZINC000160640529	563865607	/nfs/dbraw/zinc/86/56/07/563865607.db2.gz	FHIAGZGEPJDCHT-ZFWWWQNUSA-N	0	0	301.365	3.510	50	70		DHIARN
Cc1ccc(CN(C(=O)c2nn(C)c(C)c2Cl)C2CC2)s1	ZINC000217204874	563713083	/nfs/dbraw/zinc/71/30/83/563713083.db2.gz	LPMDFJGMODLQJS-UHFFFAOYSA-N	0	0	323.849	3.557	50	70		DHIARN
Cc1cc(CNC(=O)[C@H](C)SCc2ccc(Cl)cc2)on1	ZINC000217422599	563713733	/nfs/dbraw/zinc/71/37/33/563713733.db2.gz	RMJXMQOMODDLMA-NSHDSACASA-N	0	0	324.833	3.575	50	70		DHIARN
O=C(c1cccc2cccnc21)N1CCC(c2ccncc2)CC1	ZINC000218302592	563716056	/nfs/dbraw/zinc/71/60/56/563716056.db2.gz	UBAMXBBPVGYPIO-UHFFFAOYSA-N	0	0	317.392	3.650	50	70		DHIARN
CN(CC1(CO)CCCC1)C(=O)c1cccc(-c2ccccc2)c1	ZINC000218690547	563716640	/nfs/dbraw/zinc/71/66/40/563716640.db2.gz	AJMDDVAZWRQPNT-UHFFFAOYSA-N	0	0	323.436	3.978	50	70		DHIARN
Cc1c(C(=O)N2CCC[C@@H]2C2CCCC2)cnn1CC(C)C	ZINC000160981299	563887428	/nfs/dbraw/zinc/88/74/28/563887428.db2.gz	KUZTVNJTFZBHTF-QGZVFWFLSA-N	0	0	303.450	3.642	50	70		DHIARN
O=C(Cc1c[nH]c2ccccc12)N1CCCC[C@H]1c1cccnc1	ZINC000218022634	563944443	/nfs/dbraw/zinc/94/44/43/563944443.db2.gz	ZNUOHFQDYXXNEK-IBGZPJMESA-N	0	0	319.408	3.859	50	70		DHIARN
Cc1ccc([C@@]2(C(=O)NCc3ccncc3C)CC2(C)C)cc1	ZINC000218201906	201533427	/nfs/dbraw/zinc/53/34/27/201533427.db2.gz	AHOKJNVSSCILMF-HXUWFJFHSA-N	0	0	308.425	3.683	50	70		DHIARN
COCc1csc(NC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)n1	ZINC000161364501	337383473	/nfs/dbraw/zinc/38/34/73/337383473.db2.gz	SQECJIZRJPPUDA-RISCZKNCSA-N	0	0	317.414	3.514	50	70		DHIARN
COc1ccc2[nH]c(C(=O)N3C[C@@H]4CC(C)=CC[C@@H]4C3)cc2c1	ZINC000218661247	563716940	/nfs/dbraw/zinc/71/69/40/563716940.db2.gz	IYCMZUTVKRPSIA-HIFRSBDPSA-N	0	0	310.397	3.605	50	70		DHIARN
COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CC(C)C	ZINC000217878509	201526942	/nfs/dbraw/zinc/52/69/42/201526942.db2.gz	NOGLXKGDXJJLCC-MRXNPFEDSA-N	0	0	300.402	3.716	50	70		DHIARN
Cc1nnc(-c2cccc(CC[C@@H]3COc4ccccc4O3)c2)o1	ZINC000218193667	201533811	/nfs/dbraw/zinc/53/38/11/201533811.db2.gz	XSOBLQSCXIQCHD-MRXNPFEDSA-N	0	0	322.364	3.818	50	70		DHIARN
CC[C@@H](NC(=O)c1cccc(-c2ccco2)c1)c1nc(C)c[nH]1	ZINC000217558193	563713794	/nfs/dbraw/zinc/71/37/94/563713794.db2.gz	NLPPCOQZCCUWEK-OAHLLOKOSA-N	0	0	309.369	3.859	50	70		DHIARN
CSc1ncccc1C(=O)N1CCS[C@@H]1c1ccsc1	ZINC000217635931	563943864	/nfs/dbraw/zinc/94/38/64/563943864.db2.gz	BNIFSQOCIZQFPO-CQSZACIVSA-N	0	0	322.480	3.753	50	70		DHIARN
O=C(NCC[C@@H](O)c1ccsc1)c1cccc2ccccc21	ZINC000217529164	563943712	/nfs/dbraw/zinc/94/37/12/563943712.db2.gz	PSQJGORSWXFLMA-QGZVFWFLSA-N	0	0	311.406	3.755	50	70		DHIARN
CSc1ccc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1	ZINC000217924025	563944421	/nfs/dbraw/zinc/94/44/21/563944421.db2.gz	JLMYQVRUWSUFFN-LBPRGKRZSA-N	0	0	314.362	3.578	50	70		DHIARN
Cn1cc(C(=O)N2CCCC[C@H]2c2ccccn2)c2ccccc21	ZINC000217002002	201507821	/nfs/dbraw/zinc/50/78/21/201507821.db2.gz	LJROCTPYTRUNQN-IBGZPJMESA-N	0	0	319.408	3.941	50	70		DHIARN
O=C(CCC1CCCC1)N(Cc1ccncc1)C[C@@H]1CCCO1	ZINC000218275032	563716316	/nfs/dbraw/zinc/71/63/16/563716316.db2.gz	ZYYMWVIKZCXOCS-SFHVURJKSA-N	0	0	316.445	3.560	50	70		DHIARN
CCc1ncnc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1F	ZINC000160640641	563865825	/nfs/dbraw/zinc/86/58/25/563865825.db2.gz	FHIAGZGEPJDCHT-UKRRQHHQSA-N	0	0	301.365	3.510	50	70		DHIARN
NC(=O)CSc1ccccc1NCc1ccc(Cl)cc1F	ZINC000160733143	563871472	/nfs/dbraw/zinc/87/14/72/563871472.db2.gz	CLJLBFGNQKDRGU-UHFFFAOYSA-N	0	0	324.808	3.669	50	70		DHIARN
Cc1noc(-c2ccsc2NC(=O)/C=C/c2cccs2)n1	ZINC000217647665	563943946	/nfs/dbraw/zinc/94/39/46/563943946.db2.gz	KCUGOIYYAAPBCL-SNAWJCMRSA-N	0	0	317.395	3.820	50	70		DHIARN
COC(=O)COc1ccc2occ(-c3ccc(OC)cc3)c2c1	ZINC000217755192	563944113	/nfs/dbraw/zinc/94/41/13/563944113.db2.gz	XGZDACNEUYHPKP-UHFFFAOYSA-N	0	0	312.321	3.660	50	70		DHIARN
CSc1ccc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1	ZINC000217924101	563944448	/nfs/dbraw/zinc/94/44/48/563944448.db2.gz	JLMYQVRUWSUFFN-GFCCVEGCSA-N	0	0	314.362	3.578	50	70		DHIARN
O=C(Cc1cccs1)NCc1cncc(-c2ccsc2)c1	ZINC000217690572	201522493	/nfs/dbraw/zinc/52/24/93/201522493.db2.gz	VVCALKDFKAMQDF-UHFFFAOYSA-N	0	0	314.435	3.731	50	70		DHIARN
CC[C@H](NC(=O)CSCc1ccccc1C)c1cccnc1	ZINC000218570814	257273944	/nfs/dbraw/zinc/27/39/44/257273944.db2.gz	IPAGLZLNNAKOLZ-KRWDZBQOSA-N	0	0	314.454	3.891	50	70		DHIARN
Clc1ccccc1OCCn1nc(C2CC2)nc1C1CC1	ZINC000161431763	337584527	/nfs/dbraw/zinc/58/45/27/337584527.db2.gz	JLKUAYCHKIHFBX-UHFFFAOYSA-N	0	0	303.793	3.765	50	70		DHIARN
O=C(NCC[C@H](O)c1ccsc1)C12CC3CC(CC(C3)C1)C2	ZINC000217530523	563943637	/nfs/dbraw/zinc/94/36/37/563943637.db2.gz	GHHSVMFPMONFBG-IEKYFPHUSA-N	0	0	319.470	3.504	50	70		DHIARN
Cc1cccnc1NC(=O)c1cc(C(C)C)n(-c2ccccc2)n1	ZINC000160084008	197384621	/nfs/dbraw/zinc/38/46/21/197384621.db2.gz	LKBTYLIHPLIVCU-UHFFFAOYSA-N	0	0	320.396	3.951	50	70		DHIARN
CCc1nnc(CN[C@@H](c2ccc(F)cc2F)C(C)(C)C)[nH]1	ZINC000160502880	522347393	/nfs/dbraw/zinc/34/73/93/522347393.db2.gz	RQJKVUIRQCLBRM-HNNXBMFYSA-N	0	0	308.376	3.522	50	70		DHIARN
O=C(NCCc1ccncc1)[C@@]1(c2ccccc2)CC12CCCC2	ZINC000216917125	563712280	/nfs/dbraw/zinc/71/22/80/563712280.db2.gz	BPRWIZQQZNBZSI-NRFANRHFSA-N	0	0	320.436	3.642	50	70		DHIARN
Cn1cc(C(=O)N2CCCC[C@@H]2c2ccccn2)c2ccccc21	ZINC000217001991	563712663	/nfs/dbraw/zinc/71/26/63/563712663.db2.gz	LJROCTPYTRUNQN-LJQANCHMSA-N	0	0	319.408	3.941	50	70		DHIARN
CCc1ncnc(N[C@@H]2CCO[C@H](c3ccccc3)C2)c1F	ZINC000160640424	563865824	/nfs/dbraw/zinc/86/58/24/563865824.db2.gz	FHIAGZGEPJDCHT-HIFRSBDPSA-N	0	0	301.365	3.510	50	70		DHIARN
Cc1c(C(=O)N2CCC[C@H]2C2CCCC2)cnn1CC(C)C	ZINC000160981404	563887373	/nfs/dbraw/zinc/88/73/73/563887373.db2.gz	KUZTVNJTFZBHTF-KRWDZBQOSA-N	0	0	303.450	3.642	50	70		DHIARN
CSc1ncccc1C(=O)N1CCS[C@H]1c1ccsc1	ZINC000217636021	563943942	/nfs/dbraw/zinc/94/39/42/563943942.db2.gz	BNIFSQOCIZQFPO-AWEZNQCLSA-N	0	0	322.480	3.753	50	70		DHIARN
Cc1ccccc1NC(=O)NC[C@@](C)(O)c1cc2ccccc2o1	ZINC000218004242	563944441	/nfs/dbraw/zinc/94/44/41/563944441.db2.gz	DMQUMMOXFZTJKQ-LJQANCHMSA-N	0	0	324.380	3.770	50	70		DHIARN
CSCc1ccc(C(=O)N2CCCC[C@H]2c2ccccn2)o1	ZINC000217872004	563714662	/nfs/dbraw/zinc/71/46/62/563714662.db2.gz	RCLLXLARACKJIC-HNNXBMFYSA-N	0	0	316.426	3.905	50	70		DHIARN
CN(Cc1nccs1)C(=O)[C@@]1(c2cccs2)CC1(C)C	ZINC000217831303	563714879	/nfs/dbraw/zinc/71/48/79/563714879.db2.gz	XHDDJZPEIDMGQS-HNNXBMFYSA-N	0	0	306.456	3.531	50	70		DHIARN
CC(C)C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1C	ZINC000218376175	563715904	/nfs/dbraw/zinc/71/59/04/563715904.db2.gz	JOITUSJLGMWQAH-AWEZNQCLSA-N	0	0	311.385	3.684	50	70		DHIARN
CC1(C)CC(=O)c2ccc3c(c2O1)[C@@H](c1ccccc1)CC(=O)O3	ZINC000217702725	563944119	/nfs/dbraw/zinc/94/41/19/563944119.db2.gz	AYLIUBXMQLJBSV-CQSZACIVSA-N	0	0	322.360	3.871	50	70		DHIARN
Cn1c(C(=O)N2CCCC[C@H]2c2cccnc2)cc2ccccc21	ZINC000218104682	563944359	/nfs/dbraw/zinc/94/43/59/563944359.db2.gz	VPERJGFZQKPZFE-SFHVURJKSA-N	0	0	319.408	3.941	50	70		DHIARN
Cc1ccccc1CN(C)C(=O)[C@@H](C)Sc1ccncc1	ZINC000160004691	525125113	/nfs/dbraw/zinc/12/51/13/525125113.db2.gz	SNRMSENCPITDNJ-CQSZACIVSA-N	0	0	300.427	3.529	50	70		DHIARN
CCCC[C@@H](NC(=O)c1csc(SC)n1)c1cccnc1	ZINC000218359254	563716186	/nfs/dbraw/zinc/71/61/86/563716186.db2.gz	LYBXJBXSEMASJA-GFCCVEGCSA-N	0	0	321.471	3.921	50	70		DHIARN
CO[C@H](CNC(=O)Nc1cccs1)c1ccccc1Cl	ZINC000218353294	563797106	/nfs/dbraw/zinc/79/71/06/563797106.db2.gz	NAVCHROZKIKSMT-GFCCVEGCSA-N	0	0	310.806	3.911	50	70		DHIARN
CSC1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(Cl)cc1	ZINC000217714247	563944053	/nfs/dbraw/zinc/94/40/53/563944053.db2.gz	OXWUHOFOGNDUHT-YIONKMFJSA-N	0	0	324.877	3.908	50	70		DHIARN
CCCCOc1ccc(C(=O)Nc2ccn3nccc3c2)cc1	ZINC000217952970	563944398	/nfs/dbraw/zinc/94/43/98/563944398.db2.gz	YVUFOJHRAPZZNI-UHFFFAOYSA-N	0	0	309.369	3.766	50	70		DHIARN
O=C(/C=C/c1ccoc1)NCC1(c2ccsc2)CCCC1	ZINC000217583111	201519952	/nfs/dbraw/zinc/51/99/52/201519952.db2.gz	ISBSSRKOHPJVCQ-ONEGZZNKSA-N	0	0	301.411	3.983	50	70		DHIARN
COc1ccc([C@@H]2SCCN2C(=O)/C=C/c2ccco2)cc1	ZINC000217628084	201520930	/nfs/dbraw/zinc/52/09/30/201520930.db2.gz	XUMNNVJWTBQKRF-IJDCCNJMSA-N	0	0	315.394	3.576	50	70		DHIARN
O=C(CC1(n2cccc2)CCOCC1)Nc1ccc2cc[nH]c2c1	ZINC000218429705	563715980	/nfs/dbraw/zinc/71/59/80/563715980.db2.gz	YQUUNEANRQJSKW-UHFFFAOYSA-N	0	0	323.396	3.504	50	70		DHIARN
Cc1ncsc1CCCNC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000218664227	563716728	/nfs/dbraw/zinc/71/67/28/563716728.db2.gz	ZYLGCHKIFZDLJQ-UHFFFAOYSA-N	0	0	318.486	3.717	50	70		DHIARN
Nc1nc2cc(Cc3ccc4sc(N)nc4c3)ccc2s1	ZINC000216760019	201497837	/nfs/dbraw/zinc/49/78/37/201497837.db2.gz	XRGPUKYIWZOAGG-UHFFFAOYSA-N	0	0	312.423	3.661	50	70		DHIARN
O=C(NCc1cccs1)N1CCS[C@@H]1c1ccccc1F	ZINC000217630117	201520616	/nfs/dbraw/zinc/52/06/16/201520616.db2.gz	NSGNOEYJQGHGQS-CQSZACIVSA-N	0	0	322.430	3.844	50	70		DHIARN
O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccn2nccc2c1	ZINC000217957569	201528634	/nfs/dbraw/zinc/52/86/34/201528634.db2.gz	VCPSUCSAQPLPHF-UHFFFAOYSA-N	0	0	319.286	3.534	50	70		DHIARN
CC[C@H](NC(=O)c1ccc(N2CCCC2)cc1)c1ncccc1C	ZINC000218298751	201537310	/nfs/dbraw/zinc/53/73/10/201537310.db2.gz	OKYYLFYUULRFKV-SFHVURJKSA-N	0	0	323.440	3.871	50	70		DHIARN
COCc1csc(NC(=O)N2C[C@H](C)[C@@H]2c2ccccc2)n1	ZINC000161364875	337383498	/nfs/dbraw/zinc/38/34/98/337383498.db2.gz	SQECJIZRJPPUDA-SMDDNHRTSA-N	0	0	317.414	3.514	50	70		DHIARN
CC(C)CNc1nc(C(=O)Nc2cccc3[nH]ccc32)cs1	ZINC000218442529	563716034	/nfs/dbraw/zinc/71/60/34/563716034.db2.gz	VBXUQPUQYGLOQT-UHFFFAOYSA-N	0	0	314.414	3.945	50	70		DHIARN
O=S(=O)(C1CCCCC1)N1CCCC[C@H](c2ccccc2)C1	ZINC000217288543	563943256	/nfs/dbraw/zinc/94/32/56/563943256.db2.gz	ZJMVUBOGFIHLHD-KRWDZBQOSA-N	0	0	321.486	3.919	50	70		DHIARN
Cc1ccccc1NC(=O)NC[C@](C)(O)c1cc2ccccc2o1	ZINC000218004148	563944298	/nfs/dbraw/zinc/94/42/98/563944298.db2.gz	DMQUMMOXFZTJKQ-IBGZPJMESA-N	0	0	324.380	3.770	50	70		DHIARN
CN(Cc1cscn1)c1ncc(Cl)cc1Br	ZINC000159778999	197363457	/nfs/dbraw/zinc/36/34/57/197363457.db2.gz	OMTIDKVPOXISQY-UHFFFAOYSA-N	0	0	318.627	3.590	50	70		DHIARN
CC[C@H](NC(=O)c1cccc(-c2ccc(C)o2)c1)[C@H]1C[C@H](O)C1	ZINC000218107289	563715432	/nfs/dbraw/zinc/71/54/32/563715432.db2.gz	KITGHKHEPYGNMW-BBWFWOEESA-N	0	0	313.397	3.534	50	70		DHIARN
CCN(CC1CCOCC1)C(=O)CCCCc1ccccc1	ZINC000218082276	563715538	/nfs/dbraw/zinc/71/55/38/563715538.db2.gz	MNNBHUUVYUKOKY-UHFFFAOYSA-N	0	0	303.446	3.675	50	70		DHIARN
C[C@@H](C(=O)Nc1ccc(-c2nccs2)cc1)C1CCOCC1	ZINC000161119572	197466987	/nfs/dbraw/zinc/46/69/87/197466987.db2.gz	HREADMAHKIRCAS-GFCCVEGCSA-N	0	0	316.426	3.811	50	70		DHIARN
CC[C@@H](NC(=O)c1cccc(-c2ccc(C)o2)c1)[C@H]1C[C@H](O)C1	ZINC000218107216	563715345	/nfs/dbraw/zinc/71/53/45/563715345.db2.gz	KITGHKHEPYGNMW-IXDOHACOSA-N	0	0	313.397	3.534	50	70		DHIARN
c1ccc(CCC[SiH](c2ccccc2)c2ccccc2)cc1	ZINC000169817823	197760073	/nfs/dbraw/zinc/76/00/73/197760073.db2.gz	JXAKKWNQBKMMPU-UHFFFAOYSA-N	0	0	302.493	3.661	50	70		DHIARN
O=C(CCCOc1ccccc1)N1CCCC[C@H]1c1ccccn1	ZINC000217151455	563713440	/nfs/dbraw/zinc/71/34/40/563713440.db2.gz	MDYFSQSAJYBKMB-IBGZPJMESA-N	0	0	324.424	3.994	50	70		DHIARN
CC[C@@H](NC(=O)c1ccc(N2CCCC2)cc1)c1ncccc1C	ZINC000218298710	563716363	/nfs/dbraw/zinc/71/63/63/563716363.db2.gz	OKYYLFYUULRFKV-GOSISDBHSA-N	0	0	323.440	3.871	50	70		DHIARN
COc1cccc([C@@H]2SCCN2C(=O)c2ccsc2)c1	ZINC000217636973	563943834	/nfs/dbraw/zinc/94/38/34/563943834.db2.gz	PCBVALUEYWVUCQ-HNNXBMFYSA-N	0	0	305.424	3.645	50	70		DHIARN
Cc1cc2c(c(=O)o1)[C@@H](c1cccc3ccccc31)CC(=O)O2	ZINC000218113585	563944474	/nfs/dbraw/zinc/94/44/74/563944474.db2.gz	RDVMVRQYUGXOFD-OAHLLOKOSA-N	0	0	306.317	3.542	50	70		DHIARN
CC1(C)CC(=O)c2ccc3c(c2O1)[C@H](c1ccccc1)CC(=O)O3	ZINC000217702650	201522678	/nfs/dbraw/zinc/52/26/78/201522678.db2.gz	AYLIUBXMQLJBSV-AWEZNQCLSA-N	0	0	322.360	3.871	50	70		DHIARN
O=C(CCC1CCCC1)N(Cc1ccncc1)C[C@H]1CCCO1	ZINC000218275077	201535139	/nfs/dbraw/zinc/53/51/39/201535139.db2.gz	ZYYMWVIKZCXOCS-GOSISDBHSA-N	0	0	316.445	3.560	50	70		DHIARN
O=C(CC1(n2cccc2)CCOCC1)Nc1cccc2[nH]ccc21	ZINC000218264674	201535207	/nfs/dbraw/zinc/53/52/07/201535207.db2.gz	LSFGAFBPOKBVCZ-UHFFFAOYSA-N	0	0	323.396	3.504	50	70		DHIARN
O=C(NCc1ccco1)c1sc(Cl)nc1-c1ccccc1	ZINC000218446442	563716368	/nfs/dbraw/zinc/71/63/68/563716368.db2.gz	FIJDKBCQYRAGMD-UHFFFAOYSA-N	0	0	318.785	3.987	50	70		DHIARN
CCc1ncnc(N[C@H]2CCO[C@@H](c3ccccc3)C2)c1F	ZINC000160640758	563865623	/nfs/dbraw/zinc/86/56/23/563865623.db2.gz	FHIAGZGEPJDCHT-DZGCQCFKSA-N	0	0	301.365	3.510	50	70		DHIARN
CO[C@@H](CNC(=O)Nc1cccs1)c1ccccc1Cl	ZINC000218353211	563944715	/nfs/dbraw/zinc/94/47/15/563944715.db2.gz	NAVCHROZKIKSMT-LBPRGKRZSA-N	0	0	310.806	3.911	50	70		DHIARN
O=C(NCC[C@H](O)c1ccsc1)c1cccc2ccccc21	ZINC000217529086	201519555	/nfs/dbraw/zinc/51/95/55/201519555.db2.gz	PSQJGORSWXFLMA-KRWDZBQOSA-N	0	0	311.406	3.755	50	70		DHIARN
COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CC(C)C	ZINC000217878430	201526039	/nfs/dbraw/zinc/52/60/39/201526039.db2.gz	NOGLXKGDXJJLCC-INIZCTEOSA-N	0	0	300.402	3.716	50	70		DHIARN
CCc1nnc(CN[C@H](c2ccc(F)cc2F)C(C)(C)C)[nH]1	ZINC000160502999	522354706	/nfs/dbraw/zinc/35/47/06/522354706.db2.gz	RQJKVUIRQCLBRM-OAHLLOKOSA-N	0	0	308.376	3.522	50	70		DHIARN
Cc1sc(Cl)nc1C(=O)Nc1cc(F)c(F)c(F)c1	ZINC000218304675	563716253	/nfs/dbraw/zinc/71/62/53/563716253.db2.gz	OBIQVWAFMVAKEC-UHFFFAOYSA-N	0	0	306.696	3.775	50	70		DHIARN
Cc1ccc(NC(=O)NCC[C@H](O)c2ccsc2)cc1C	ZINC000217545687	563943770	/nfs/dbraw/zinc/94/37/70/563943770.db2.gz	JVKYNMASVJSCEW-HNNXBMFYSA-N	0	0	304.415	3.610	50	70		DHIARN
COc1cccc([C@H]2SCCN2C(=O)c2ccsc2)c1	ZINC000217636891	563943930	/nfs/dbraw/zinc/94/39/30/563943930.db2.gz	PCBVALUEYWVUCQ-OAHLLOKOSA-N	0	0	305.424	3.645	50	70		DHIARN
Cc1cc(CNC(=O)[C@@H](C)SCc2ccc(Cl)cc2)on1	ZINC000217422514	563714130	/nfs/dbraw/zinc/71/41/30/563714130.db2.gz	RMJXMQOMODDLMA-LLVKDONJSA-N	0	0	324.833	3.575	50	70		DHIARN
Cc1cc(CN(C)C(=O)C2c3ccccc3-c3ccccc32)on1	ZINC000217080334	568416210	/nfs/dbraw/zinc/41/62/10/568416210.db2.gz	CEXZFCNXCQAJRN-UHFFFAOYSA-N	0	0	318.376	3.754	50	70		DHIARN
O=C(CSc1ccncc1)N1CC[C@@H](C2CCCCC2)C1	ZINC000218464370	201539968	/nfs/dbraw/zinc/53/99/68/201539968.db2.gz	PCSZFFQDPKYCRK-OAHLLOKOSA-N	0	0	304.459	3.603	50	70		DHIARN
CC[C@H](NC(=O)c1cccc(-c2ccco2)c1)c1nc(C)c[nH]1	ZINC000217558266	563713773	/nfs/dbraw/zinc/71/37/73/563713773.db2.gz	NLPPCOQZCCUWEK-HNNXBMFYSA-N	0	0	309.369	3.859	50	70		DHIARN
CC(C)(C)c1ccc(C(=O)NCC[C@@H](O)c2ccsc2)cc1	ZINC000217529556	201519484	/nfs/dbraw/zinc/51/94/84/201519484.db2.gz	YSPCOBRYTUWPKK-MRXNPFEDSA-N	0	0	317.454	3.899	50	70		DHIARN
CCc1nnc(CNC(=O)c2ccccc2-c2ccccc2)s1	ZINC000218616322	563717036	/nfs/dbraw/zinc/71/70/36/563717036.db2.gz	KLFHOVZXFCMDQK-UHFFFAOYSA-N	0	0	323.421	3.698	50	70		DHIARN
Cc1sc(Cl)nc1C(=O)Nc1nc2ccccc2s1	ZINC000218126620	201531270	/nfs/dbraw/zinc/53/12/70/201531270.db2.gz	ICTFCPLDCQOAMF-UHFFFAOYSA-N	0	0	309.803	3.967	50	70		DHIARN
Cc1nnc(-c2cccc(CC[C@H]3COc4ccccc4O3)c2)o1	ZINC000218193756	563715881	/nfs/dbraw/zinc/71/58/81/563715881.db2.gz	XSOBLQSCXIQCHD-INIZCTEOSA-N	0	0	322.364	3.818	50	70		DHIARN
O=S(=O)(NCC1(c2ccsc2)CCCC1)c1ccccc1	ZINC000217483280	563943634	/nfs/dbraw/zinc/94/36/34/563943634.db2.gz	WCUOMUYZMZACTP-UHFFFAOYSA-N	0	0	321.467	3.538	50	70		DHIARN
Cc1ccc(OCC(=O)N2CCCC[C@@H]2c2ccccn2)cc1C	ZINC000217342945	563713200	/nfs/dbraw/zinc/71/32/00/563713200.db2.gz	RBXHAJDRZPPRDE-LJQANCHMSA-N	0	0	324.424	3.831	50	70		DHIARN
CCCC[C@H](NC(=O)c1csc(SC)n1)c1cccnc1	ZINC000218359316	563716305	/nfs/dbraw/zinc/71/63/05/563716305.db2.gz	LYBXJBXSEMASJA-LBPRGKRZSA-N	0	0	321.471	3.921	50	70		DHIARN
O=C(c1ccc2[nH]cnc2c1)N1CCCC[C@@H](c2ccccc2)C1	ZINC000217490053	563943674	/nfs/dbraw/zinc/94/36/74/563943674.db2.gz	PWZLETSGKJHVGG-QGZVFWFLSA-N	0	0	319.408	3.973	50	70		DHIARN
O=C(NCC[C@@H](O)c1ccsc1)C12CC3CC(CC(C3)C1)C2	ZINC000217530444	563943696	/nfs/dbraw/zinc/94/36/96/563943696.db2.gz	GHHSVMFPMONFBG-JKJYUFNASA-N	0	0	319.470	3.504	50	70		DHIARN
Cn1ccc2c1cccc2C(=O)N1CCCC[C@H]1c1cccnc1	ZINC000218113686	563944307	/nfs/dbraw/zinc/94/43/07/563944307.db2.gz	NUJOAJJIMYJXCI-SFHVURJKSA-N	0	0	319.408	3.941	50	70		DHIARN
O=C(CCCc1cccs1)NC[C@@H]1OCCc2ccccc21	ZINC000217097598	568416190	/nfs/dbraw/zinc/41/61/90/568416190.db2.gz	RUDJPSBBSIBSNM-KRWDZBQOSA-N	0	0	315.438	3.501	50	70		DHIARN
CN(Cc1nccs1)C(=O)[C@]1(c2cccs2)CC1(C)C	ZINC000217831399	201525775	/nfs/dbraw/zinc/52/57/75/201525775.db2.gz	XHDDJZPEIDMGQS-OAHLLOKOSA-N	0	0	306.456	3.531	50	70		DHIARN
CC(C)(C)c1ccc(COC(=O)Cc2cn3ccccc3n2)cc1	ZINC000218506768	257240015	/nfs/dbraw/zinc/24/00/15/257240015.db2.gz	WZMMRVVCNMDBQV-UHFFFAOYSA-N	0	0	322.408	3.918	50	70		DHIARN
COC[C@H]1CCC[C@H]1NC(=O)Cc1ccc(-c2ccccc2)cc1	ZINC000218485265	563716157	/nfs/dbraw/zinc/71/61/57/563716157.db2.gz	QODOREIRZMTYHU-WOJBJXKFSA-N	0	0	323.436	3.827	50	70		DHIARN
O=C(CCc1ccc(F)c(F)c1)N(Cc1nccs1)C1CC1	ZINC000218264791	563716237	/nfs/dbraw/zinc/71/62/37/563716237.db2.gz	QBFDHBNHDDQNOI-UHFFFAOYSA-N	0	0	322.380	3.545	50	70		DHIARN
CC(C)c1cc(CNC(=O)c2cccc(-c3ccco3)c2)on1	ZINC000218669032	563716943	/nfs/dbraw/zinc/71/69/43/563716943.db2.gz	GWGQNCHDNKFQKA-UHFFFAOYSA-N	0	0	310.353	3.988	50	70		DHIARN
O=C(/C=C/c1ccccc1Cl)NCC[C@H](O)c1ccsc1	ZINC000217530823	563943735	/nfs/dbraw/zinc/94/37/35/563943735.db2.gz	JVMFRGJXIABIOB-NFAHFFEMSA-N	0	0	321.829	3.655	50	70		DHIARN