smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)Nc3ccccc3)CC2)c1[O-]	ZINC000177246904	823408989	/nfs/dbraw/zinc/40/89/89/823408989.db2.gz	UGHPRICJSSYUIM-UHFFFAOYSA-N	-1	3	386.879	4.099	20	10		GICDHM
Cc1ccc(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c([O-])c1O	ZINC000179503171	822492513	/nfs/dbraw/zinc/49/25/13/822492513.db2.gz	UUFHIVMVECDVLB-MUUNZHRXSA-N	-1	3	395.480	4.107	20	10		GICDHM
CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1[O-]	ZINC000177365074	823445766	/nfs/dbraw/zinc/44/57/66/823445766.db2.gz	PWSXOOCPVXBYTJ-XELLLNAOSA-N	-1	3	379.909	4.179	20	10		GICDHM
Cc1ccc(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)c([O-])c1O	ZINC000182073669	822082704	/nfs/dbraw/zinc/08/27/04/822082704.db2.gz	IOFJGTIUCYQUCD-UHFFFAOYSA-N	-1	3	376.412	4.219	20	10		GICDHM
Cc1ccc(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)c([O-])c1O	ZINC000179503157	822492502	/nfs/dbraw/zinc/49/25/02/822492502.db2.gz	UUFHIVMVECDVLB-NDEPHWFRSA-N	-1	3	395.480	4.107	20	10		GICDHM
CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)c1nc(C(C)(C)C)no1	ZINC000174425706	822788356	/nfs/dbraw/zinc/78/83/56/822788356.db2.gz	LOVUYHDXQBYZQD-NSHDSACASA-N	-1	3	382.302	4.418	20	10		GICDHM
C[C@@H](N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1[O-]	ZINC000185593618	822800245	/nfs/dbraw/zinc/80/02/45/822800245.db2.gz	DBIIBMUDDOEQMH-IVZQSRNASA-N	-1	3	399.487	4.375	20	10		GICDHM
CCN(Cc1csc([C@H](C)OC)n1)Cc1cc(Br)ccc1[O-]	ZINC000175285532	822924460	/nfs/dbraw/zinc/92/44/60/822924460.db2.gz	DWIWPCZSWIQZQA-NSHDSACASA-N	-1	3	385.327	4.341	20	10		GICDHM
CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1	ZINC000187088300	823009017	/nfs/dbraw/zinc/00/90/17/823009017.db2.gz	OVONMSIPCWDLSF-OAHLLOKOSA-N	-1	3	379.460	4.048	20	10		GICDHM
Cc1ccc(C(=O)N2CCSCC2)cc1NCc1c([O-])cccc1Cl	ZINC000126035630	823771086	/nfs/dbraw/zinc/77/10/86/823771086.db2.gz	PEHYHJIIHVWENF-UHFFFAOYSA-N	-1	3	376.909	4.155	20	10		GICDHM
CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1[O-]	ZINC000177365059	823445786	/nfs/dbraw/zinc/44/57/86/823445786.db2.gz	PWSXOOCPVXBYTJ-UOXLDJKESA-N	-1	3	379.909	4.179	20	10		GICDHM
C[C@@H](NCc1ncc(-c2ccccc2)cn1)c1ccc(Br)cc1[O-]	ZINC000186048784	822847218	/nfs/dbraw/zinc/84/72/18/822847218.db2.gz	SSPCCDYAEAFMMV-CYBMUJFWSA-N	-1	3	384.277	4.463	20	10		GICDHM
COc1ccc(N[C@@H](C)c2ccc3ccccc3c2O)cc1[N-]S(C)(=O)=O	ZINC000186405155	822889050	/nfs/dbraw/zinc/88/90/50/822889050.db2.gz	ADVFTRZAGMKXAT-ZDUSSCGKSA-N	-1	3	386.473	4.099	20	10		GICDHM
[O-]c1ccc(Br)cc1CN[C@@H](c1ncon1)c1ccc(Cl)cc1	ZINC000122533350	823368138	/nfs/dbraw/zinc/36/81/38/823368138.db2.gz	NOZSLNFSKCGCMN-OAHLLOKOSA-N	-1	3	394.656	4.070	20	10		GICDHM
Cc1nnc([C@@H](N[C@H](C)c2ccc(Br)cc2[O-])c2ccccc2)[nH]1	ZINC000185324880	822766353	/nfs/dbraw/zinc/76/63/53/822766353.db2.gz	HQVOFQZZLRXAOL-DIFFPNOSSA-N	-1	3	387.281	4.021	20	10		GICDHM
C[C@H](NCc1cc(COC(C)(C)C)on1)c1cc(Br)ccc1[O-]	ZINC000186824418	822961921	/nfs/dbraw/zinc/96/19/21/822961921.db2.gz	QAMQNNFLKRKABJ-NSHDSACASA-N	-1	3	383.286	4.309	20	10		GICDHM
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1nnc2ccccc2c1[O-]	ZINC000181584694	821890266	/nfs/dbraw/zinc/89/02/66/821890266.db2.gz	AKNMEMKAPDBRAX-MRXNPFEDSA-N	-1	3	399.450	4.032	20	10		GICDHM
CC(=O)c1cc(Cl)cc(CN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1[O-]	ZINC000185424277	822782038	/nfs/dbraw/zinc/78/20/38/822782038.db2.gz	QGSBSWVPQYWHRE-LJQANCHMSA-N	-1	3	387.842	4.000	20	10		GICDHM
C[C@H](NCc1cc(Br)ccc1[O-])c1nc(-c2cccc(F)c2)no1	ZINC000174668278	822821056	/nfs/dbraw/zinc/82/10/56/822821056.db2.gz	FJAZVDWHHKBUKC-JTQLQIEISA-N	-1	3	392.228	4.195	20	10		GICDHM
CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(O)cc(Br)c1[O-]	ZINC000124761118	823624130	/nfs/dbraw/zinc/62/41/30/823624130.db2.gz	LRJVAYCGGTWUFN-HNNXBMFYSA-N	-1	3	397.656	4.100	20	10		GICDHM
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1	ZINC000181731063	821965768	/nfs/dbraw/zinc/96/57/68/821965768.db2.gz	VAAMHNXLAIHVJN-UHFFFAOYSA-N	-1	3	385.432	4.269	20	10		GICDHM
C[C@@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1[O-]	ZINC000185593582	822800239	/nfs/dbraw/zinc/80/02/39/822800239.db2.gz	DBIIBMUDDOEQMH-QRQCRPRQSA-N	-1	3	399.487	4.375	20	10		GICDHM
CC[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1nc(C(F)(F)F)cs1	ZINC000185957762	822837375	/nfs/dbraw/zinc/83/73/75/822837375.db2.gz	SGCDPIPNVMZMFG-LBPRGKRZSA-N	-1	3	376.375	4.450	20	10		GICDHM
C[C@H](NCc1ncc(-c2ccccc2)cn1)c1cc(Br)ccc1[O-]	ZINC000186051649	822847446	/nfs/dbraw/zinc/84/74/46/822847446.db2.gz	HORWMRJUHNFQPV-ZDUSSCGKSA-N	-1	3	384.277	4.463	20	10		GICDHM
Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(C)n1-c1ccccc1C	ZINC000032332229	820918354	/nfs/dbraw/zinc/91/83/54/820918354.db2.gz	IZSSUEMNMINDAQ-UHFFFAOYSA-N	-1	3	397.500	4.026	20	10		GICDHM
CC(=O)c1cc(F)cc(CN[C@H](c2cccc(F)c2F)C(F)(F)F)c1[O-]	ZINC000182610007	822321537	/nfs/dbraw/zinc/32/15/37/822321537.db2.gz	PSYFWLXUOLMEFW-MRXNPFEDSA-N	-1	3	377.284	4.405	20	10		GICDHM
[O-]c1c(Br)cccc1CNCc1cc(F)ccc1Br	ZINC000048797558	822683760	/nfs/dbraw/zinc/68/37/60/822683760.db2.gz	PVTDMMCTOMRGNO-UHFFFAOYSA-N	-1	3	389.062	4.346	20	10		GICDHM
CC[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1nc(C(F)(F)F)cs1	ZINC000185957780	822837284	/nfs/dbraw/zinc/83/72/84/822837284.db2.gz	SGCDPIPNVMZMFG-GFCCVEGCSA-N	-1	3	376.375	4.450	20	10		GICDHM
CCN(Cc1csc([C@@H](C)OC)n1)Cc1cc(Br)ccc1[O-]	ZINC000175285513	822924324	/nfs/dbraw/zinc/92/43/24/822924324.db2.gz	DWIWPCZSWIQZQA-LLVKDONJSA-N	-1	3	385.327	4.341	20	10		GICDHM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1Cl	ZINC000123880765	823548833	/nfs/dbraw/zinc/54/88/33/823548833.db2.gz	REWULXHUXUONPS-UHFFFAOYSA-N	-1	3	396.896	4.237	20	10		GICDHM
CC(=O)c1cc(F)cc(CN[C@H](c2c(F)cccc2F)C(F)(F)F)c1[O-]	ZINC000183457049	822477660	/nfs/dbraw/zinc/47/76/60/822477660.db2.gz	SRRWPSGPFWBENS-MRXNPFEDSA-N	-1	3	377.284	4.405	20	10		GICDHM
C[C@@H](NCc1cc(COC(C)(C)C)on1)c1ccc(Br)cc1[O-]	ZINC000186828464	822962784	/nfs/dbraw/zinc/96/27/84/822962784.db2.gz	QDOIFEMSVHEEPW-LLVKDONJSA-N	-1	3	383.286	4.309	20	10		GICDHM
[O-]c1ccc(Br)cc1CN[C@H](c1ncon1)c1ccc(Cl)cc1	ZINC000122533114	823368254	/nfs/dbraw/zinc/36/82/54/823368254.db2.gz	NOZSLNFSKCGCMN-HNNXBMFYSA-N	-1	3	394.656	4.070	20	10		GICDHM
CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000179739510	822539885	/nfs/dbraw/zinc/53/98/85/822539885.db2.gz	ZCWATKIBFDXBIE-NSHDSACASA-N	-1	3	375.296	4.046	20	10		GICDHM
CCN(Cc1nc(-c2ccsc2)no1)Cc1cc(Br)ccc1[O-]	ZINC000174424932	822788227	/nfs/dbraw/zinc/78/82/27/822788227.db2.gz	WODRAAMCPIZMGD-UHFFFAOYSA-N	-1	3	394.294	4.288	20	10		GICDHM
C[C@H](N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1[O-]	ZINC000185593599	822800186	/nfs/dbraw/zinc/80/01/86/822800186.db2.gz	DBIIBMUDDOEQMH-OYHNWAKOSA-N	-1	3	399.487	4.375	20	10		GICDHM
CCN(Cc1cc(Br)ccc1[O-])[C@H](C)c1nc(C(C)(C)C)no1	ZINC000174425720	822788384	/nfs/dbraw/zinc/78/83/84/822788384.db2.gz	LOVUYHDXQBYZQD-LLVKDONJSA-N	-1	3	382.302	4.418	20	10		GICDHM
C[C@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1[O-]	ZINC000185593563	822800170	/nfs/dbraw/zinc/80/01/70/822800170.db2.gz	DBIIBMUDDOEQMH-NYHFZMIOSA-N	-1	3	399.487	4.375	20	10		GICDHM
Cc1ccc(N[C@H](C)c2ccc(F)cc2[O-])cc1NC(=O)CN1CCCCC1	ZINC000186427585	822893148	/nfs/dbraw/zinc/89/31/48/822893148.db2.gz	NFMBUJQILBSTMY-MRXNPFEDSA-N	-1	3	385.483	4.437	20	10		GICDHM
CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(O)cc(Br)c1[O-]	ZINC000124760879	823624123	/nfs/dbraw/zinc/62/41/23/823624123.db2.gz	LRJVAYCGGTWUFN-OAHLLOKOSA-N	-1	3	397.656	4.100	20	10		GICDHM
Cc1nnc([C@H](N[C@@H](C)c2ccc(Br)cc2[O-])c2ccccc2)[nH]1	ZINC000185324827	822766346	/nfs/dbraw/zinc/76/63/46/822766346.db2.gz	HQVOFQZZLRXAOL-APPDUMDISA-N	-1	3	387.281	4.021	20	10		GICDHM
CC(C)c1nnc2n1CCN(Cc1c3c(ccc1[O-])oc1c3CCCC1)[C@H]2C	ZINC000190222570	823552503	/nfs/dbraw/zinc/55/25/03/823552503.db2.gz	NJXOVHOEMADPKO-AWEZNQCLSA-N	-1	3	380.492	4.309	20	10		GICDHM
COc1ccc(N[C@H](C)c2ccc3ccccc3c2O)cc1[N-]S(C)(=O)=O	ZINC000186405172	822889001	/nfs/dbraw/zinc/88/90/01/822889001.db2.gz	ADVFTRZAGMKXAT-CYBMUJFWSA-N	-1	3	386.473	4.099	20	10		GICDHM
C[C@H](NCc1cc(COC(C)(C)C)on1)c1ccc(Br)cc1[O-]	ZINC000186828445	822962895	/nfs/dbraw/zinc/96/28/95/822962895.db2.gz	QDOIFEMSVHEEPW-NSHDSACASA-N	-1	3	383.286	4.309	20	10		GICDHM
CC(C)c1nnc2n1CCN(Cc1c3c(ccc1[O-])oc1c3CCCC1)[C@@H]2C	ZINC000190222550	823552369	/nfs/dbraw/zinc/55/23/69/823552369.db2.gz	NJXOVHOEMADPKO-CQSZACIVSA-N	-1	3	380.492	4.309	20	10		GICDHM
O=C(Nc1ccccc1O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000179767542	822548221	/nfs/dbraw/zinc/54/82/21/822548221.db2.gz	XXWOHABXUDMGAE-UHFFFAOYSA-N	-1	3	395.286	4.255	20	10		GICDHM
CCN(Cc1nnc(-c2ccccc2)o1)Cc1cc(Br)ccc1[O-]	ZINC000174423584	822788045	/nfs/dbraw/zinc/78/80/45/822788045.db2.gz	DSCGJGYALINJAO-UHFFFAOYSA-N	-1	3	388.265	4.227	20	10		GICDHM
C[C@@H](NCc1cc(Br)ccc1[O-])c1nc(-c2cccc(F)c2)no1	ZINC000174668294	822821110	/nfs/dbraw/zinc/82/11/10/822821110.db2.gz	FJAZVDWHHKBUKC-SNVBAGLBSA-N	-1	3	392.228	4.195	20	10		GICDHM
CCCc1nc([C@H](NCc2cc(Cl)cc(OC)c2[O-])c2ccccc2)no1	ZINC000359955334	209205296	/nfs/dbraw/zinc/20/52/96/209205296.db2.gz	BGRZDLUBRFNUAR-GOSISDBHSA-N	-1	3	387.867	4.269	20	10		GICDHM
Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)c([O-])c1O	ZINC000182148220	822117842	/nfs/dbraw/zinc/11/78/42/822117842.db2.gz	NDYBXBAUSSQMSI-UHFFFAOYSA-N	-1	3	376.412	4.219	20	10		GICDHM
Cc1nnc([C@@H](N[C@@H](C)c2ccc(Br)cc2[O-])c2ccccc2)[nH]1	ZINC000185324844	822766252	/nfs/dbraw/zinc/76/62/52/822766252.db2.gz	HQVOFQZZLRXAOL-GTNSWQLSSA-N	-1	3	387.281	4.021	20	10		GICDHM
CC(=O)c1cc(Cl)cc(CN[C@H](c2cnn(C)c2)c2ccc(F)cc2)c1[O-]	ZINC000185424259	822781982	/nfs/dbraw/zinc/78/19/82/822781982.db2.gz	QGSBSWVPQYWHRE-IBGZPJMESA-N	-1	3	387.842	4.000	20	10		GICDHM
O=[N+]([O-])c1cc(Cl)cc(CNC2(c3ccc(F)cc3F)CCOCC2)c1[O-]	ZINC000124715455	823620334	/nfs/dbraw/zinc/62/03/34/823620334.db2.gz	VQODGXFHMNHHTM-UHFFFAOYSA-N	-1	3	398.793	4.028	20	10		GICDHM
CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1[O-]	ZINC000177365031	823445736	/nfs/dbraw/zinc/44/57/36/823445736.db2.gz	PWSXOOCPVXBYTJ-VDBVYFBLSA-N	-1	3	379.909	4.179	20	10		GICDHM
Cc1ccc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c([O-])c1O	ZINC000179505416	822492709	/nfs/dbraw/zinc/49/27/09/822492709.db2.gz	WCCUSHQCBUGNNH-HHHXNRCGSA-N	-1	3	387.501	4.240	20	10		GICDHM
Cc1nnc([C@H](N[C@H](C)c2ccc(Br)cc2[O-])c2ccccc2)[nH]1	ZINC000185324859	822766219	/nfs/dbraw/zinc/76/62/19/822766219.db2.gz	HQVOFQZZLRXAOL-PIGZYNQJSA-N	-1	3	387.281	4.021	20	10		GICDHM
Cc1cc(CN[C@H](C)c2cc(Br)cc(Br)c2[O-])on1	ZINC000185357124	822770631	/nfs/dbraw/zinc/77/06/31/822770631.db2.gz	VAKJCMFVZKHPJL-MRVPVSSYSA-N	-1	3	390.075	4.064	20	10		GICDHM
COc1cccc(C(NCc2cc([N+](=O)[O-])ccc2[O-])c2cccc(OC)c2)c1	ZINC000174929211	822857322	/nfs/dbraw/zinc/85/73/22/822857322.db2.gz	UGMAHZUJOIFTLD-UHFFFAOYSA-N	-1	3	394.427	4.197	20	10		GICDHM
COc1cc(Cl)cc(CN[C@H](c2noc(C3CC3)n2)c2ccccc2)c1[O-]	ZINC000359962349	209207921	/nfs/dbraw/zinc/20/79/21/209207921.db2.gz	VIDZKMOWCDREDV-KRWDZBQOSA-N	-1	3	385.851	4.194	20	10		GICDHM
COc1ccc(N(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)cc1F	ZINC000121704811	823234080	/nfs/dbraw/zinc/23/40/80/823234080.db2.gz	AIUXPRULTNWPQO-UHFFFAOYSA-N	-1	3	385.420	4.029	20	10		GICDHM
CC(=O)c1cc(F)cc(CN[C@@H](c2c(F)cccc2F)C(F)(F)F)c1[O-]	ZINC000183457027	822477650	/nfs/dbraw/zinc/47/76/50/822477650.db2.gz	SRRWPSGPFWBENS-INIZCTEOSA-N	-1	3	377.284	4.405	20	10		GICDHM
CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1	ZINC000187088319	823008979	/nfs/dbraw/zinc/00/89/79/823008979.db2.gz	OVONMSIPCWDLSF-HNNXBMFYSA-N	-1	3	379.460	4.048	20	10		GICDHM
CC(=O)c1cc(F)cc(CN[C@@H](c2cccc(F)c2F)C(F)(F)F)c1[O-]	ZINC000182609989	822321441	/nfs/dbraw/zinc/32/14/41/822321441.db2.gz	PSYFWLXUOLMEFW-INIZCTEOSA-N	-1	3	377.284	4.405	20	10		GICDHM
CCN(Cc1noc(-c2ccsc2)n1)Cc1cc(Br)ccc1[O-]	ZINC000174424753	822788200	/nfs/dbraw/zinc/78/82/00/822788200.db2.gz	CWQKWCADNPTRHP-UHFFFAOYSA-N	-1	3	394.294	4.288	20	10		GICDHM
C[C@@H](NCc1cc(COC(C)(C)C)on1)c1cc(Br)ccc1[O-]	ZINC000186824435	822961997	/nfs/dbraw/zinc/96/19/97/822961997.db2.gz	QAMQNNFLKRKABJ-LLVKDONJSA-N	-1	3	383.286	4.309	20	10		GICDHM
CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cc(O)cc(Br)c1[O-]	ZINC000124681328	823616819	/nfs/dbraw/zinc/61/68/19/823616819.db2.gz	UQLGHAURVPGNAS-KRWDZBQOSA-N	-1	3	391.265	4.083	20	10		GICDHM
CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1[O-]	ZINC000177365046	823445807	/nfs/dbraw/zinc/44/58/07/823445807.db2.gz	PWSXOOCPVXBYTJ-YDBLSZJJSA-N	-1	3	379.909	4.179	20	10		GICDHM
C[C@H](NCc1ncc(-c2ccccc2)cn1)c1ccc(Br)cc1[O-]	ZINC000186048765	822847134	/nfs/dbraw/zinc/84/71/34/822847134.db2.gz	SSPCCDYAEAFMMV-ZDUSSCGKSA-N	-1	3	384.277	4.463	20	10		GICDHM
Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)c([O-])c1O	ZINC000182265346	822177396	/nfs/dbraw/zinc/17/73/96/822177396.db2.gz	FYOHSNAEYNZGPG-UHFFFAOYSA-N	-1	3	376.412	4.219	20	10		GICDHM
C[C@@H](NCc1ncc(-c2ccccc2)cn1)c1cc(Br)ccc1[O-]	ZINC000186051669	822847512	/nfs/dbraw/zinc/84/75/12/822847512.db2.gz	HORWMRJUHNFQPV-CYBMUJFWSA-N	-1	3	384.277	4.463	20	10		GICDHM
CC(C)CN1C(=O)c2ccccc2N[C@H]1c1cc(O)cc(Br)c1[O-]	ZINC000124681198	823616843	/nfs/dbraw/zinc/61/68/43/823616843.db2.gz	UQLGHAURVPGNAS-QGZVFWFLSA-N	-1	3	391.265	4.083	20	10		GICDHM
CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1	ZINC000060162104	823510586	/nfs/dbraw/zinc/51/05/86/823510586.db2.gz	UTPYSPFBMOSJLI-UHFFFAOYSA-N	-1	3	395.503	4.050	20	10		GICDHM
Cc1ccc(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)c([O-])c1O	ZINC000179505427	822492737	/nfs/dbraw/zinc/49/27/37/822492737.db2.gz	WCCUSHQCBUGNNH-MHZLTWQESA-N	-1	3	387.501	4.240	20	10		GICDHM
[O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000124159041	823573108	/nfs/dbraw/zinc/57/31/08/823573108.db2.gz	PFPULGVATQLCTD-CYBMUJFWSA-N	-1	3	395.334	4.397	20	10		GICDHM
COc1cc(Cl)cc(CN[C@@H](c2noc(C3CC3)n2)c2ccccc2)c1[O-]	ZINC000359962350	212127381	/nfs/dbraw/zinc/12/73/81/212127381.db2.gz	VIDZKMOWCDREDV-QGZVFWFLSA-N	-1	3	385.851	4.194	20	10		GICDHM
CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000179739523	822539877	/nfs/dbraw/zinc/53/98/77/822539877.db2.gz	ZCWATKIBFDXBIE-LLVKDONJSA-N	-1	3	375.296	4.046	20	10		GICDHM
Cc1ccc(N[C@@H](C)c2ccc(F)cc2[O-])cc1NC(=O)CN1CCCCC1	ZINC000186427575	822893138	/nfs/dbraw/zinc/89/31/38/822893138.db2.gz	NFMBUJQILBSTMY-INIZCTEOSA-N	-1	3	385.483	4.437	20	10		GICDHM
[O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000124158822	823573035	/nfs/dbraw/zinc/57/30/35/823573035.db2.gz	PFPULGVATQLCTD-ZDUSSCGKSA-N	-1	3	395.334	4.397	20	10		GICDHM
[O-]c1c(Cl)cc(Cl)cc1CN1CCC(c2nnc3ccccn32)CC1	ZINC000120912291	823085616	/nfs/dbraw/zinc/08/56/16/823085616.db2.gz	BIUPFRNNMHEIDN-UHFFFAOYSA-N	-1	3	377.275	4.121	20	10		GICDHM
O=C(NCc1ccccc1)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000120957249	823092917	/nfs/dbraw/zinc/09/29/17/823092917.db2.gz	LRAFELBVWYUCHR-UHFFFAOYSA-N	-1	3	393.314	4.227	20	10		GICDHM
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1nnc2ccccc2c1[O-]	ZINC000181584680	821890081	/nfs/dbraw/zinc/89/00/81/821890081.db2.gz	AKNMEMKAPDBRAX-INIZCTEOSA-N	-1	3	399.450	4.032	20	10		GICDHM
Cc1cc(CN[C@@H](C)c2cc(Br)cc(Br)c2[O-])on1	ZINC000185357104	822770725	/nfs/dbraw/zinc/77/07/25/822770725.db2.gz	VAKJCMFVZKHPJL-QMMMGPOBSA-N	-1	3	390.075	4.064	20	10		GICDHM
Cc1cc(-c2csc([N-]C(=O)c3cnns3)n2)c(C)n1-c1ccc(F)cc1	ZINC000047828629	822613210	/nfs/dbraw/zinc/61/32/10/822613210.db2.gz	FMZQBJVFQSKQEC-UHFFFAOYSA-N	-1	3	399.476	4.461	20	10		GICDHM