smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(C)nc(C)cc2[nH]1	586925969	ZTHBMGDIZFFHDJ-UHFFFAOYSA-N	386.260	3.831	70	1	GHIF	
COC(=O)c1cccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12	586928081	PJIQFCGJSYRYCZ-UHFFFAOYSA-N	385.228	3.597	70	1	GHIF	
CCCN1CCC[C@@H]2c3cccc(OS(=O)(=O)C(F)(F)F)c3CC[C@H]21	58608544	NSTMABOREYEUNT-UKRRQHHQSA-N	377.428	3.819	70	1	GHIF	
O=[N+]([O-])c1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cc1F	586927900	UAMXMHGUWJAFGO-UHFFFAOYSA-N	390.179	3.858	70	1	GHIF	
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cnn(-c3ccccc3)c2)n1	218480386	XRHQJGGGJFOMPH-CRAIPNDOSA-N	392.463	3.817	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1	587918267	JQIFGWWNDGPPRP-UHFFFAOYSA-N	386.212	3.584	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cccc2c(S(=O)(=O)Cl)n(C)nc12	587918527	VORCZNIKLVNICR-UHFFFAOYSA-N	395.267	3.563	70	1	GHIF	
CCc1ccc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1S(=O)(=O)Cl	586927911	UDJNWLHIHHGQQS-UHFFFAOYSA-N	381.244	3.640	70	1	GHIF	
CC[C@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587451504	YRYMQNCOXQOLST-DNVCBOLYSA-N	392.860	3.676	70	1	GHIF	
COc1nccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12	586925504	FOEWXBPDTYAMCX-UHFFFAOYSA-N	392.651	3.868	70	1	GHIF	
N#Cc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cc1C#N	586928361	YMNMGGYESOKVGN-UHFFFAOYSA-N	377.212	3.554	70	1	GHIF	
COc1cc(Cc2nc3cc(C)cc(F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925718	VJJVBKPNNVQJQJ-UHFFFAOYSA-N	398.843	3.546	70	1	GHIF	
Cc1c(F)ccc2c1[C@]1(CCCc3cc(S(=O)(=O)Cl)ccc31)NCC2	962090439	IVFVQNICWWFVMV-LJQANCHMSA-N	379.884	3.787	70	1	GHIF	
O=S(=O)(Cl)c1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1Cl	586926092	GPOSCLLCRXXFPB-UHFFFAOYSA-N	399.255	3.972	70	1	GHIF	
O=S(=O)(Cl)c1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1Cl	586928293	VAKPECXZTQCQFI-UHFFFAOYSA-N	397.165	3.571	70	1	GHIF	
O=S(=O)(Cl)c1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccc1Cl	586925926	CCVSTPISLLDGDH-UHFFFAOYSA-N	385.228	3.582	70	1	GHIF	
O=S(=O)(F)c1cccc(N=c2nc(-c3ccncc3)[nH]c3ccccc23)c1	1772622412	XXXOVBLFVXXWRB-UHFFFAOYSA-N	380.404	3.516	70	1	GHIF	
O=S(=O)(Cl)c1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1Cl	586928068	XVUDLKZDRYIEBJ-UHFFFAOYSA-N	397.165	3.571	70	1	GHIF	
O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3c(Cl)ncnc3[nH]2)c1Cl	586926040	KPLRFDXCHJSAGG-UHFFFAOYSA-N	398.058	3.908	70	1	GHIF	
Cc1ncc([C@@H](CNC(=O)c2c(F)cccc2Cl)C2CCOCC2)cn1	217374170	JSKYVDGKVXCBLD-HNNXBMFYSA-N	377.847	3.518	70	1	GHIF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@@]1(CS(=O)(=O)Cl)C3(C)C)O2	587408007	DDLPQJRGWUTWHR-QQGDVQBRSA-N	397.924	3.676	70	1	GHIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc4c(cc3[nH]2)OCO4)c1Cl	586928453	AAMKNBKWMNGLHA-UHFFFAOYSA-N	385.228	3.848	70	1	GHIF	
COc1cc(OC)c2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc2c1	586927684	IZCVTKXKXGYGJI-UHFFFAOYSA-N	387.244	3.828	70	1	GHIF	
Cc1ncc([C@@H](CNC(=O)c2cccc(F)c2Cl)C2CCOCC2)cn1	217373982	QEYKDQHFRMNKGH-INIZCTEOSA-N	377.847	3.518	70	1	GHIF	
CCc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1S(=O)(=O)Cl	586926856	GLYYNZCFOFZIAH-UHFFFAOYSA-N	392.864	3.881	70	1	GHIF	
COc1cc(OC)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc2c1	586927974	VFANASPTCUIHLR-UHFFFAOYSA-N	387.244	3.828	70	1	GHIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc(OC)c2[nH]1	586925857	XCBQKMJUWBIRDH-UHFFFAOYSA-N	387.244	3.828	70	1	GHIF	
COc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cn1	586926624	RXVQZCXJMLMYFZ-UHFFFAOYSA-N	392.651	3.868	70	1	GHIF	
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(C3CCC3)CC2)n1	218482755	CVKGNEYPSFSOQJ-MAUKXSAKSA-N	387.528	3.523	70	1	GHIF	
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nnc(-c3ccccc3)o2)n1	218482552	ZMZPHZAKMFRWLI-DZGCQCFKSA-N	394.435	3.681	70	1	GHIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1	587178042	MZDNQLNFWGIJSC-UHFFFAOYSA-N	379.722	3.955	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cc(F)c(S(=O)(=O)Cl)c(F)c1	587914459	BAXKNGTVTBMVMG-UHFFFAOYSA-N	377.195	3.954	70	1	GHIF	
CCc1ccc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1S(=O)(=O)Cl	586928003	VUWCXRAVXCTBSV-UHFFFAOYSA-N	379.825	3.936	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cc(F)c(S(=O)(=O)Cl)cc1F	587915061	IPIHSIUSELEMSZ-UHFFFAOYSA-N	377.195	3.954	70	1	GHIF	
COc1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2n1	586926520	QNXYFBWGMJJWHH-UHFFFAOYSA-N	392.651	3.868	70	1	GHIF	
COc1cc(Cc2nc3cc(C)cc(C)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925034	KUOHWFYJJZLKOM-UHFFFAOYSA-N	394.880	3.715	70	1	GHIF	
O=S(=O)(Cl)c1ccc2c(c1)CCC[C@@]21c2nc(Cl)cc3c2CCN1C3	963471284	NEUBGCAQPKRHFR-SFHVURJKSA-N	395.311	3.614	70	1	GHIF	
C=CCN(CCC)[C@@H]1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1	43504660	PISUUUANZQYJMJ-CQSZACIVSA-N	377.428	3.670	70	1	GHIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1	587178259	XUUNGPJMLJDITA-UHFFFAOYSA-N	394.790	3.866	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Cl	587918195	GDRJJZORKNUTIH-UHFFFAOYSA-N	386.212	3.584	70	1	GHIF	
CCc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1S(=O)(=O)Cl	586927123	JHUGWDHPYODJID-UHFFFAOYSA-N	389.864	3.605	70	1	GHIF	
CCCN(CCC)[C@H]1CCc2c(cccc2OS(=O)(=O)C(F)(F)F)C1	36187800	GQWGKLIYDKGPRT-AWEZNQCLSA-N	379.444	3.894	70	1	GHIF	
Cn1cc(-c2ccc(N3CCC(n4ncc5ccc(Cl)cc54)CC3)nn2)cn1	218759386	JVQBWEUUWDOXLT-UHFFFAOYSA-N	393.882	3.722	70	1	GHIF	
COc1ccc(C#Cc2cc(Cl)ccc2OC)c(CS(=O)(=O)Cl)c1	587918417	QUKPCQNELWOCPS-UHFFFAOYSA-N	385.268	3.826	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)cnc1Cl	587918116	BDIGTGBTWGSDQU-UHFFFAOYSA-N	376.648	3.724	70	1	GHIF	
O=S(=O)(Cl)c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1Cl	586927221	DSELMMXPSFMSCV-UHFFFAOYSA-N	399.255	3.972	70	1	GHIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1Cl	586926588	NBKIHUFEBLTPTF-AWEZNQCLSA-N	399.259	3.843	70	1	GHIF	
CCOC(=O)Cc1ccc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2c1	586928308	VZLGKKWOLARSII-UHFFFAOYSA-N	392.864	3.571	70	1	GHIF	
O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3nc(Cl)c[nH]c-3n2)c1Cl	586925263	DGUQOMUQAYRKOP-UHFFFAOYSA-N	398.058	3.859	70	1	GHIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cnc(Cl)[nH]c-3n2)c1Cl	586926892	RQTNHINZROGYJW-UHFFFAOYSA-N	377.640	3.514	70	1	GHIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1	587180897	PQIVSVJMLKTNBS-UHFFFAOYSA-N	382.800	3.703	70	1	GHIF	
O=C(O)CCC/C=C\C[C@@H]1[C@@H](c2ccc3c(c2)CC[C@@H]3O)[C@H](O)C[C@H]1Cl	137016135	GZOYDZXHUXHYPQ-SVVZVAANSA-N	378.896	3.939	70	1	GHIF	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)Cl)cc1)CC2=O	587483911	GMNSUEDCEJIRBH-QGZVFWFLSA-N	380.849	3.979	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)ccc1NC(C)=O	587918594	YMGIZDLKEBUIIR-UHFFFAOYSA-N	398.267	3.634	70	1	GHIF	
O=S(=O)(F)CCNc1cccc(-c2c(O)nc3cc(Cl)ccc3c2O)c1	36294545	PWSNMZQMCLBAOZ-UHFFFAOYSA-N	396.827	3.678	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cc2c(c(S(=O)(=O)Cl)c1)OCC2	587918512	UZRPNPPJCATOPR-UHFFFAOYSA-N	383.252	3.611	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1ccc2c(S(=O)(=O)Cl)n(C)nc2c1	587918540	WAVBHACYHROIEB-UHFFFAOYSA-N	395.267	3.563	70	1	GHIF	
C[C@]1(c2ncc(S(=O)(=O)Cl)s2)NCCc2c(Cl)cc(Cl)cc21	963111619	RFBSBTSCGXJPQI-ZDUSSCGKSA-N	397.736	3.787	70	1	GHIF	
COC(=O)c1cc(Cl)c2nc(-c3ccc(S(=O)(=O)Cl)c(C)c3)[nH]c2c1	586928306	VQNZWCZWDMXWGX-UHFFFAOYSA-N	399.255	3.906	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1c(C)cc(C(=O)O)cc1S(=O)(=O)Cl	587918221	HIYCTYXEIXQCNN-UHFFFAOYSA-N	399.251	3.683	70	1	GHIF	
COc1ccc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)cc1OC	218479202	NIXWPEDNSULKIR-UKRRQHHQSA-N	386.452	3.648	70	1	GHIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc(Br)nc3[nH]2)c1	587178209	VGDVPGNCYSARQD-UHFFFAOYSA-N	390.621	3.699	70	1	GHIF	
Cc1ncc([C@H](CNC(=O)c2c(F)cccc2Cl)C2CCOCC2)cn1	217374237	JSKYVDGKVXCBLD-OAHLLOKOSA-N	377.847	3.518	70	1	GHIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(Cl)ncnc3[nH]2)c1Cl	586926031	FGJIAGFCMJQRNT-UHFFFAOYSA-N	377.640	3.563	70	1	GHIF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(S(=O)(=O)Cl)ccc1C)O2	587409033	JRURYPZJOFGMLI-SFHVURJKSA-N	379.865	3.694	70	1	GHIF	
Cc1cc(-c2nc3nccc(Br)c3[nH]2)ccc1S(=O)(=O)Cl	586926827	AMIXLRBASHMOMP-UHFFFAOYSA-N	386.658	3.623	70	1	GHIF	
O=C1CCc2cc3nc(-c4ccc(Cl)c(S(=O)(=O)Cl)c4)[nH]c3cc2N1	586927419	YLDKKCPEYJFFHS-UHFFFAOYSA-N	396.255	3.696	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cc(F)cc(F)c1S(=O)(=O)Cl	587914429	ABYJMLASVBOXFC-UHFFFAOYSA-N	377.195	3.954	70	1	GHIF	
Cc1cc(=O)oc2cc(-c3ccccc3)c(OS(=O)(=O)C(F)(F)F)cc12	1772657351	LQXMDRFOOQMTLL-UHFFFAOYSA-N	384.331	3.997	70	1	GHIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3nc(Cl)c[nH]c-3n2)c1Cl	586927281	VXVMBEGRHACEFK-UHFFFAOYSA-N	377.640	3.514	70	1	GHIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc3cn[nH]c3cc2[nH]1	586927618	HZJOYBLSKKCTSC-UHFFFAOYSA-N	397.243	3.696	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cnc(Cl)c(S(=O)(=O)Cl)c1	587918097	AEKYWRSRLDFHOU-UHFFFAOYSA-N	376.648	3.724	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)c(Cl)n1	587918595	YNAFZOBFIIYTFF-UHFFFAOYSA-N	376.648	3.724	70	1	GHIF	
CC[C@]1(c2nc(C)c(S(=O)(=O)Cl)s2)NCCc2c1sc(C)c2C	963009171	KPIRSSOFMSLFCN-HNNXBMFYSA-N	390.983	3.857	70	1	GHIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(Cl)ccnc2[nH]1	586925493	RQRSXPFLXOEGDT-UHFFFAOYSA-N	392.651	3.868	70	1	GHIF	
O=S(=O)(Cl)c1ccc(-c2nc3c(F)cnc(Cl)c3[nH]2)cc1Cl	586926868	AZLGZLPOZXGVMD-UHFFFAOYSA-N	380.615	3.998	70	1	GHIF	
O=S(=O)(Cl)c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1Cl	586927955	MRZNNHGTNTUBQG-UHFFFAOYSA-N	385.228	3.582	70	1	GHIF	
COP(O)(OC)=C([N+]#N)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	586993957	MYEZXZXTURUXPL-UHFFFAOYSA-O	396.319	3.531	70	1	GHIF	
CC[C@@]1(c2cccc(S(=O)(=O)Cl)c2)CC(=O)c2cc(C)cc(N)c2O1	587408104	FIJUTJBAKUEUBA-SFHVURJKSA-N	379.865	3.775	70	1	GHIF	
O=C(O)c1cc(F)cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12	586927087	IUTAHIDVGARTOW-UHFFFAOYSA-N	389.191	3.648	70	1	GHIF	
Cc1cc(-c2nc3cnc(Br)cc3[nH]2)ccc1S(=O)(=O)Cl	586926849	ARAZQXYQOSMSIX-UHFFFAOYSA-N	386.658	3.623	70	1	GHIF	
N#Cc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cc1C#N	586928121	ZKZVAIOCGJQCFB-UHFFFAOYSA-N	377.212	3.554	70	1	GHIF	
Cc1cc(-c2nc3nc(Br)ccc3[nH]2)ccc1S(=O)(=O)Cl	586927227	DTTXSZOLPIRPRE-UHFFFAOYSA-N	386.658	3.623	70	1	GHIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(C(=O)O)cc3[nH]2)c1Cl	586928494	AZORJIKJNWDDPK-UHFFFAOYSA-N	385.228	3.817	70	1	GHIF	
Cc1cc(-c2nc3ncc(Br)cc3[nH]2)ccc1S(=O)(=O)Cl	586928299	VCXDFMKCDKMULQ-UHFFFAOYSA-N	386.658	3.623	70	1	GHIF	
O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(F)cnc3[nH]2)c1Cl	586927454	YIYHTRMPCFXSKS-UHFFFAOYSA-N	380.615	3.998	70	1	GHIF	
Cc1cn(-c2ccc(N3CCC(c4noc5cc(F)ccc45)CC3)nn2)cn1	218775268	WNWRTHGYPQYCMH-UHFFFAOYSA-N	378.411	3.635	70	1	GHIF	
COc1cc(Cc2nc3cc(C)c(C)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924446	DXIYQXPXRVFODI-UHFFFAOYSA-N	394.880	3.715	70	1	GHIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(CCO)cc3[nH]2)c1Cl	586928709	HWAHGEZXLCNADF-UHFFFAOYSA-N	385.272	3.654	70	1	GHIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(C(=O)O)c3[nH]2)c1Cl	586929600	WRHFCSRDLAADCI-UHFFFAOYSA-N	385.228	3.817	70	1	GHIF	
COc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cc1OC	586927937	LRUNFQKFFXDMAL-UHFFFAOYSA-N	387.244	3.828	70	1	GHIF	
Cc1cc(-c2nc3c(Br)nccc3[nH]2)ccc1S(=O)(=O)Cl	586927673	ISLYXAIPOJDSOX-UHFFFAOYSA-N	386.658	3.623	70	1	GHIF	
CC[C@]1(c2cccc(S(=O)(=O)Cl)c2)CC(=O)c2cc(C)cc(N)c2O1	587408103	FIJUTJBAKUEUBA-GOSISDBHSA-N	379.865	3.775	70	1	GHIF	
COc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cc1F	586928082	YDQDGMPCSYZKCD-UHFFFAOYSA-N	375.208	3.959	70	1	GHIF	
COc1cc(Cc2nc3ccc(F)c(C)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925127	LZEWZHTYDPEJQH-UHFFFAOYSA-N	398.843	3.546	70	1	GHIF	
Cc1c(F)ccc2c1[C@@]1(CCCc3cc(S(=O)(=O)Cl)ccc31)NCC2	962090424	IVFVQNICWWFVMV-IBGZPJMESA-N	379.884	3.787	70	1	GHIF	
CCc1ccc(-c2nc3cc(OC)cc(OC)c3[nH]2)cc1S(=O)(=O)Cl	586927080	INXXRUDMHOWFSM-UHFFFAOYSA-N	380.853	3.737	70	1	GHIF	
Cc1cc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)ccc1S(=O)(=O)Cl	586928217	RNLJQSNZZLNVKM-UHFFFAOYSA-N	390.827	3.791	70	1	GHIF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@@]1(CS(=O)(=O)Cl)C3(C)C)O2	587407989	DDLPQJRGWUTWHR-DPMMWBKBSA-N	397.924	3.676	70	1	GHIF	
CCOC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2c1	586927791	KGPJQDKMHOMIGZ-UHFFFAOYSA-N	378.837	3.643	70	1	GHIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(F)cc2[nH]1	586924578	FYRWVTKNXWDRAI-UHFFFAOYSA-N	375.208	3.959	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cccc2nn(C)c(S(=O)(=O)Cl)c12	587918513	VANMYWOGBDMHHW-UHFFFAOYSA-N	395.267	3.563	70	1	GHIF	
Cc1cc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)ccc1S(=O)(=O)Cl	586927518	GBHWNSDVZYSUOW-UHFFFAOYSA-N	375.759	3.880	70	1	GHIF	
COC(=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1	586928026	WOQXMRLDYJPKFX-UHFFFAOYSA-N	385.228	3.597	70	1	GHIF	
COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2c1	586928908	LPWZQTDBWLBPDW-UHFFFAOYSA-N	399.255	3.906	70	1	GHIF	
CCOC(=O)c1ccc2nc(-c3ccc(CC)c(S(=O)(=O)Cl)c3)[nH]c2c1	586927476	NEMFNBROZRMBOA-UHFFFAOYSA-N	392.864	3.897	70	1	GHIF	
Cc1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccc1S(=O)(=O)Cl	586928188	QXWXVFWTPFVLDL-UHFFFAOYSA-N	386.763	3.787	70	1	GHIF	
C[C@@]1(c2ncc(S(=O)(=O)Cl)s2)NCCc2c(Cl)cc(Cl)cc21	963111612	RFBSBTSCGXJPQI-CYBMUJFWSA-N	397.736	3.787	70	1	GHIF	
CC1(C)Oc2ccc(-c3ccc4[nH]ccc4c3)cc2[C@@]2(COC(N)=N2)C12COC2	218011354	VVFPODWCIIZSFT-QHCPKHFHSA-N	389.455	3.563	70	1	GHIF	
COc1cc2c3c(c1)O[C@](C)(c1cc(S(=O)(=O)Cl)ccc1C)[C@@H](C2)C3=O	587447564	CJRWPDNQAKMZQU-HNAYVOBHSA-N	392.860	3.594	70	1	GHIF	
CN1CCc2cccc3c2[C@H]1Cc1cccc(OS(=O)(=O)C(F)(F)F)c1-3	36187803	AZFCGGUCEYWFCK-CQSZACIVSA-N	383.391	3.667	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1c(F)cc(S(=O)(=O)Cl)cc1F	587915573	URCPARPPOANMIC-UHFFFAOYSA-N	377.195	3.954	70	1	GHIF	
COC(=O)c1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12	586925947	CFLFCADTPNDZTO-UHFFFAOYSA-N	385.228	3.597	70	1	GHIF	
O=[N+]([O-])c1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cc1F	586928406	ZTCOPXUKGOASOO-UHFFFAOYSA-N	390.179	3.858	70	1	GHIF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3ccc(S(=O)(=O)Cl)cc31)O2	587408824	IXEBBHFOYIVVGY-LJQANCHMSA-N	391.876	3.702	70	1	GHIF	
CCc1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc1S(=O)(=O)Cl	586928111	YYMIMEBYLWQUME-UHFFFAOYSA-N	380.853	3.737	70	1	GHIF	
COC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1	586927531	GDMNGHHNODJENY-UHFFFAOYSA-N	385.228	3.597	70	1	GHIF	
O=C(O)c1cc(F)cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12	586927656	IJDBNYFZAFZHBI-UHFFFAOYSA-N	389.191	3.648	70	1	GHIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc(F)c2[nH]1	586925437	PIFOQHYQFFISGC-UHFFFAOYSA-N	375.208	3.959	70	1	GHIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(Br)ncc3[nH]2)c1	587178243	WWQGZDJWPFHNCC-UHFFFAOYSA-N	390.621	3.699	70	1	GHIF	
CCOC(=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1	586927436	MUWCVLJQIQYZIT-UHFFFAOYSA-N	399.255	3.988	70	1	GHIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3c(Br)ccnc3[nH]2)c1	587177996	KWNLTBKJGWLAOL-UHFFFAOYSA-N	390.621	3.699	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cc(F)c(OC)c(S(=O)(=O)Cl)c1	587914680	GDDIRMDJQWUWRC-UHFFFAOYSA-N	389.231	3.824	70	1	GHIF	
CCCN(CCC)[C@H]1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1	36187760	YEEMKPJFAQAHOW-AWEZNQCLSA-N	379.444	3.894	70	1	GHIF	
CN(C)C(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1	586927932	LMVBNFWLKXMIEI-UHFFFAOYSA-N	398.271	3.513	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl	587918533	VXSHUXNRHZEZOF-UHFFFAOYSA-N	386.212	3.584	70	1	GHIF	
N#Cc1nc(Cl)cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12	586928311	WEOMLVXDUKGPRK-UHFFFAOYSA-N	387.635	3.731	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1ccnc2[nH]cc(S(=O)(=O)Cl)c12	587918428	RIKUWXBQSMGDSG-UHFFFAOYSA-N	381.240	3.552	70	1	GHIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1Cl	586928787	IZXRNTUPEUUPHM-UHFFFAOYSA-N	399.255	3.890	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1	587918187	FRCWLDJHDMFRDG-UHFFFAOYSA-N	386.212	3.584	70	1	GHIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccnc(Cl)c2[nH]1	586924774	INGDZEHMYMJOGJ-UHFFFAOYSA-N	392.651	3.868	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cc(OC)c(S(=O)(=O)Cl)cc1F	587915341	LHBNZXRJRSQUKJ-UHFFFAOYSA-N	389.231	3.824	70	1	GHIF	
Cc1cc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)ccc1S(=O)(=O)Cl	586928004	NSBQZXUVKOUBFI-UHFFFAOYSA-N	375.759	3.880	70	1	GHIF	
CC[C@@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587451502	YRYMQNCOXQOLST-BEFAXECRSA-N	392.860	3.676	70	1	GHIF	
O=S(=O)(Cl)c1ccc2c(c1)CCC[C@]21c2nc(Cl)cc3c2CCN1C3	963471279	NEUBGCAQPKRHFR-GOSISDBHSA-N	395.311	3.614	70	1	GHIF	
CCCN(CCC)[C@@H]1CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1	36093063	BGPASGZLQNQAAZ-OAHLLOKOSA-N	379.444	3.894	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c(C)c(S(=O)(=O)Cl)c1	587918355	OCCKWBVUTRTGKR-UHFFFAOYSA-N	399.251	3.683	70	1	GHIF	
Cc1cn(-c2ccc(N3CCC(c4noc5ccc(F)cc45)CC3)nn2)cn1	218775783	YNJJNKJRNAZYAT-UHFFFAOYSA-N	378.411	3.635	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1c(F)ccc(S(=O)(=O)Cl)c1F	587916589	OOEZFTYTVQZNEV-UHFFFAOYSA-N	377.195	3.954	70	1	GHIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(C#N)cc2[nH]1	586925599	UBPGLXZHPRXJMK-UHFFFAOYSA-N	382.228	3.691	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)cc1C(C)=O	587918266	JPOLFQJZUBUBHM-UHFFFAOYSA-N	383.252	3.879	70	1	GHIF	
Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCCc5cccnc54)ncc23)ccn1	218534871	ZLOAZKLYUJTIAF-QGZVFWFLSA-N	399.458	3.922	70	1	GHIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1	587177887	DYLAOYXMTDZXIB-UHFFFAOYSA-N	379.722	3.955	70	1	GHIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(Br)cnc3[nH]2)c1	587177844	CABVKSGAUVAINM-UHFFFAOYSA-N	390.621	3.699	70	1	GHIF	
CCCN(CCC)[C@@H]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	36187801	JVSIKYVCSMXDOZ-OAHLLOKOSA-N	379.444	3.894	70	1	GHIF	
CC[C@@]1(c2nc(C)c(S(=O)(=O)Cl)s2)NCCc2c1sc(C)c2C	963009175	KPIRSSOFMSLFCN-OAHLLOKOSA-N	390.983	3.857	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)cc(C(=O)O)c1C	587918246	ILXGSPCBAUGCTM-UHFFFAOYSA-N	399.251	3.683	70	1	GHIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1	587178252	XFHUACCXZXYDRM-UHFFFAOYSA-N	390.726	3.863	70	1	GHIF	
CCc1ccc(-c2nc3cccc(C(=O)OC)c3[nH]2)cc1S(=O)(=O)Cl	586927762	RFCDQGYTOBUYQA-UHFFFAOYSA-N	378.837	3.506	70	1	GHIF	
Cc1ncc([C@H](CNC(=O)c2cccc(F)c2Cl)C2CCOCC2)cn1	217374064	QEYKDQHFRMNKGH-MRXNPFEDSA-N	377.847	3.518	70	1	GHIF	
COc1cc2c3c(c1)O[C@@](C)(c1cc(S(=O)(=O)Cl)ccc1C)[C@@H](C2)C3=O	587447565	CJRWPDNQAKMZQU-KXBFYZLASA-N	392.860	3.594	70	1	GHIF	
CCc1ccc(-c2nc3ccc(C(=O)OC)cc3[nH]2)cc1S(=O)(=O)Cl	586926795	FNOXRTIPDHDMKS-UHFFFAOYSA-N	378.837	3.506	70	1	GHIF	
CCCN1CCC[C@H]2c3cccc(OS(=O)(=O)C(F)(F)F)c3CC[C@@H]21	36187793	NSTMABOREYEUNT-ZFWWWQNUSA-N	377.428	3.819	70	1	GHIF	
COP(O)(OC)=C([N+]#N)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	587208943	HAGDPCXHQUAHIJ-UHFFFAOYSA-N	380.320	3.825	70	1	GHIF	
COc1cncc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12	586925583	HDCMBVPNZRAZOE-UHFFFAOYSA-N	392.651	3.868	70	1	GHIF	
CCOC(=O)Cc1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1	587180839	OCWQDPXXPAACHY-UHFFFAOYSA-N	396.827	3.647	70	1	GHIF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3ccc(S(=O)(=O)Cl)cc31)O2	587408822	IXEBBHFOYIVVGY-IBGZPJMESA-N	391.876	3.702	70	1	GHIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccnc(Br)c3[nH]2)c1	587178032	MKHLFUKHHWPHON-UHFFFAOYSA-N	390.621	3.699	70	1	GHIF	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)F)cc1)CC2=O	587471988	NZRVBQGWTQIDQT-LJQANCHMSA-N	378.421	3.884	70	1	GHIF	
N[C@@H](N=O)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1	586927737	JMXMIUHKBJSMML-ZDUSSCGKSA-N	385.232	3.535	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Cl)c1	587918391	POVICQWZWULESW-UHFFFAOYSA-N	386.212	3.584	70	1	GHIF	
CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)Cl)cc1)CC2=O	587483909	GMNSUEDCEJIRBH-KRWDZBQOSA-N	380.849	3.979	70	1	GHIF	
CC1(C)Oc2ccc(-c3ccc4[nH]ccc4c3)cc2[C@]2(COC(N)=N2)C12COC2	218011275	VVFPODWCIIZSFT-HSZRJFAPSA-N	389.455	3.563	70	1	GHIF	
Cc1cnn(-c2ccc(N3CCC(c4noc5ccc(F)cc45)CC3)nn2)c1	218760071	QOETUANYKPWXAI-UHFFFAOYSA-N	378.411	3.635	70	1	GHIF	
Cc1ccn(-c2ccc(N3CCC(c4noc5ccc(F)cc45)CC3)nn2)n1	218760129	IZHLUPKVNPPMFR-UHFFFAOYSA-N	378.411	3.635	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cc(F)c(F)cc1S(=O)(=O)Cl	587915796	URURIBHVHXRLQG-UHFFFAOYSA-N	377.195	3.954	70	1	GHIF	
O=C(O)c1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cc1F	586928321	WOCGBFLJPDDNMN-UHFFFAOYSA-N	389.191	3.648	70	1	GHIF	
CCCN(CCC)[C@@H]1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1	36187759	YEEMKPJFAQAHOW-CQSZACIVSA-N	379.444	3.894	70	1	GHIF	
N[C@H](N=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1	586927311	KVMBOFRAUZIKBM-CYBMUJFWSA-N	385.232	3.535	70	1	GHIF	
O=S(=O)(Cl)c1cc(-c2nc3c(F)cnc(Cl)c3[nH]2)ccc1Cl	586927975	VFYZIWIDQWQWJD-UHFFFAOYSA-N	380.615	3.998	70	1	GHIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Cl)cnc2[nH]1	586925476	RBJOKHJSDKFROF-UHFFFAOYSA-N	392.651	3.868	70	1	GHIF	
O=C(O)c1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cc1F	586927481	NNCXFHPNUNTIPT-UHFFFAOYSA-N	389.191	3.648	70	1	GHIF	
CCOC(=O)c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1	587181202	VRVOMRYYFJUPLU-UHFFFAOYSA-N	382.800	3.718	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1sc(S(=O)(=O)Cl)cc1[N+](=O)[O-]	587918208	GSPWFORUKVOBFR-UHFFFAOYSA-N	392.241	3.646	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1ccc2nn(C)c(S(=O)(=O)Cl)c2c1	587918521	VILJFCNLBUIPAL-UHFFFAOYSA-N	395.267	3.563	70	1	GHIF	
O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cnc(Cl)[nH]c-3n2)c1Cl	586926078	LRRNYMGKPHJZNB-UHFFFAOYSA-N	398.058	3.859	70	1	GHIF	
CN(C)C(=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1	586926577	BMIWFYAWNGIIOE-UHFFFAOYSA-N	398.271	3.513	70	1	GHIF	
CCc1ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1S(=O)(=O)Cl	586927254	JWPGCXQUALMUMW-UHFFFAOYSA-N	383.788	3.767	70	1	GHIF	
O=C(O)CCC/C=C\C[C@@H]1[C@@H](c2ccc3c(c2)CC[C@H]3O)[C@H](O)C[C@H]1Cl	137016181	GZOYDZXHUXHYPQ-WVVBMRQISA-N	378.896	3.939	70	1	GHIF	
CCc1ccc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2c1	586925676	UMCSKSMAVCCXPZ-UHFFFAOYSA-N	394.880	3.661	70	1	GHIF	
C=CCN(CCC)[C@H]1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1	43504662	PISUUUANZQYJMJ-AWEZNQCLSA-N	377.428	3.670	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)c(OC)cc1C	587918554	WLGBBWIYMPBFFQ-UHFFFAOYSA-N	385.268	3.993	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc(S(=O)(=O)Cl)c1C	587918454	SBJIMKHSEAUBKT-UHFFFAOYSA-N	399.251	3.683	70	1	GHIF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CC[C@@]1(CS(=O)(=O)Cl)C3(C)C)O2	587408011	DDLPQJRGWUTWHR-RQUSPXKASA-N	397.924	3.676	70	1	GHIF	
CC(C)[C@@H](CS(=O)(=O)F)NC(=O)OCC1c2ccccc2-c2ccccc21	71329104	QALVPYSKFFHDAE-LJQANCHMSA-N	391.464	3.849	70	1	GHIF	
CCOC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1	586927108	CNUPGCBYOLIHNZ-UHFFFAOYSA-N	399.255	3.988	70	1	GHIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc(C#N)c2[nH]1	586924830	JMOLWCXXSHMNFY-UHFFFAOYSA-N	382.228	3.691	70	1	GHIF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@]1(CS(=O)(=O)Cl)C3(C)C)O2	587408013	DDLPQJRGWUTWHR-ZUSMLRIVSA-N	397.924	3.676	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)c(F)c1F	587915563	UKQJCPHIDDAJQI-UHFFFAOYSA-N	377.195	3.954	70	1	GHIF	
N[C@@H](N=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1	586927312	KVMBOFRAUZIKBM-ZDUSSCGKSA-N	385.232	3.535	70	1	GHIF	
Nc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1N	586926606	RQDXUIIFPQQIJF-UHFFFAOYSA-N	391.667	3.629	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]	587918340	NLJNVIDHIDHGHA-UHFFFAOYSA-N	386.212	3.584	70	1	GHIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1Cl	586926589	NBKIHUFEBLTPTF-CQSZACIVSA-N	399.259	3.843	70	1	GHIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)c1Cl	586926988	SRJMNHDZFPQRTA-UHFFFAOYSA-N	391.239	3.863	70	1	GHIF	
CCc1ccc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1S(=O)(=O)Cl	586927765	RHBPTONSFICRIB-UHFFFAOYSA-N	382.800	3.557	70	1	GHIF	
CCCN1CCC[C@H]2c3cccc(OS(=O)(=O)C(F)(F)F)c3CC[C@H]21	253754610	NSTMABOREYEUNT-DZGCQCFKSA-N	377.428	3.819	70	1	GHIF	
N#Cc1nc(Cl)cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12	586926448	AGCIXYDCBPADSK-UHFFFAOYSA-N	387.635	3.731	70	1	GHIF	
O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(CO)cc3[nH]2)c1Cl	586925501	FNIRLUHRKWZFDS-UHFFFAOYSA-N	391.663	3.957	70	1	GHIF	
CCc1ccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1S(=O)(=O)Cl	586927477	NFPDUGJDBSROCQ-UHFFFAOYSA-N	382.800	3.557	70	1	GHIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1Cl	586928574	DIVLPDZILUUXIU-UHFFFAOYSA-N	381.244	3.996	70	1	GHIF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H]3CC[C@@]1(CS(=O)(=O)Cl)C3(C)C)O2	587408004	DDLPQJRGWUTWHR-GESALYCCSA-N	397.924	3.676	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)ccc1[N+](=O)[O-]	587918608	ZAGAYSUAEBLFNB-UHFFFAOYSA-N	386.212	3.584	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)c(F)cc1F	587915182	JYSKPFGZOPAOMM-UHFFFAOYSA-N	377.195	3.954	70	1	GHIF	
Cc1ccc(S(=O)(=O)Cl)cc1C(=O)c1coc2cc([N+](=O)[O-])ccc12	587280454	XJCSRXNQXTXMSQ-UHFFFAOYSA-N	379.777	3.808	70	1	GHIF	
COc1ccc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2c1	586925483	RMFUFMPYRPXODT-UHFFFAOYSA-N	387.244	3.828	70	1	GHIF	
N[C@H](N=O)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1	586927733	JMXMIUHKBJSMML-CYBMUJFWSA-N	385.232	3.535	70	1	GHIF	
Cc1cc(-c2nc3c(Br)cncc3[nH]2)ccc1S(=O)(=O)Cl	586927934	LPJYXGDUWDGONW-UHFFFAOYSA-N	386.658	3.623	70	1	GHIF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@]1(CS(=O)(=O)Cl)C3(C)C)O2	587408005	DDLPQJRGWUTWHR-HQOQDVMHSA-N	397.924	3.676	70	1	GHIF	
Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1Cl	586929365	UHMBKFYAYMIFRG-UHFFFAOYSA-N	397.243	3.701	70	1	GHIF	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)F)cc1)CC2=O	587471987	NZRVBQGWTQIDQT-IBGZPJMESA-N	378.421	3.884	70	1	GHIF	
COc1cc(Cc2nc3c(C)ccc(C)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925479	REOMKYNUGPBYCK-UHFFFAOYSA-N	394.880	3.715	70	1	GHIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(Cl)nc2[nH]1	586925239	NFASFDRMSUMMHJ-UHFFFAOYSA-N	392.651	3.868	70	1	GHIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cncc(Cl)c2[nH]1	586925904	YJGBQLKJQBGALT-UHFFFAOYSA-N	392.651	3.868	70	1	GHIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3cncc(Br)c3[nH]2)c1	587177922	HBOBZWMWFFQLGA-UHFFFAOYSA-N	390.621	3.699	70	1	GHIF	
COc1cc(Cc2nc3cc(C)c(F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924765	ILTMHCIGYLROEH-UHFFFAOYSA-N	398.843	3.546	70	1	GHIF	
O=C1CCc2cc3nc(-c4ccc(S(=O)(=O)Cl)c(Cl)c4)[nH]c3cc2N1	586927333	LGZHIMGZLBGYDS-UHFFFAOYSA-N	396.255	3.696	70	1	GHIF	
CCCN(CCC)[C@H]1CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1	36093064	BGPASGZLQNQAAZ-HNNXBMFYSA-N	379.444	3.894	70	1	GHIF	
CCCN1CCC[C@@H]2c3cccc(OS(=O)(=O)C(F)(F)F)c3CC[C@@H]21	36187794	NSTMABOREYEUNT-HIFRSBDPSA-N	377.428	3.819	70	1	GHIF	
O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccnc(O)c3[nH]2)c1Cl	586926735	UNKXQMQVRFMANG-UHFFFAOYSA-N	378.624	3.565	70	1	GHIF	
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnn(-c3ccccc3)c2)n1	218480459	XRHQJGGGJFOMPH-MAUKXSAKSA-N	392.463	3.817	70	1	GHIF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(S(=O)(=O)Cl)ccc1C)O2	587409032	JRURYPZJOFGMLI-GOSISDBHSA-N	379.865	3.694	70	1	GHIF	
O=C(O)Cc1c(-c2ccc(S(=O)(=O)Cl)cc2)nc2cccc3c2c1CC3	587216615	HIOMEPVFYBQOFK-UHFFFAOYSA-N	387.844	3.555	70	1	GHIF	
COc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cc1F	586928222	ROISSMWCRBSUBQ-UHFFFAOYSA-N	375.208	3.959	70	1	GHIF	
COC(=O)c1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c12	586928959	NGZBXQWPJLJROD-UHFFFAOYSA-N	399.255	3.906	70	1	GHIF	
CCCN(CCC)[C@H]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	36187802	JVSIKYVCSMXDOZ-HNNXBMFYSA-N	379.444	3.894	70	1	GHIF	
COc1cc(Cc2nc3ccc(C)c(C)c3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925587	TVFIRLAGVUOWBS-UHFFFAOYSA-N	394.880	3.715	70	1	GHIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Cl)ncc2[nH]1	586924653	GUCPVNKAEITYKS-UHFFFAOYSA-N	392.651	3.868	70	1	GHIF	
CCCN(CCC)[C@@H]1CCc2c(cccc2OS(=O)(=O)C(F)(F)F)C1	36187799	GQWGKLIYDKGPRT-CQSZACIVSA-N	379.444	3.894	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1cc2[nH]c(O)cc2cc1S(=O)(=O)Cl	587918155	DFMNMTQOPVHECM-UHFFFAOYSA-N	396.251	3.863	70	1	GHIF	
COc1ccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)cc1OC	218479284	NIXWPEDNSULKIR-DZGCQCFKSA-N	386.452	3.648	70	1	GHIF	
COc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cc1OC	586928098	YSRCVHYWYWDLIY-UHFFFAOYSA-N	387.244	3.828	70	1	GHIF	
Cc1nsc(-c2ccc(N3CCC(c4noc5ccc(F)cc45)CC3)nn2)n1	218764339	FYZPOAFODMHPSO-UHFFFAOYSA-N	396.451	3.968	70	1	GHIF	
COc1ccc(Cl)cc1C#Cc1ccc(N(C)C)cc1S(=O)(=O)Cl	587918460	SECCCXDOJAZWLC-UHFFFAOYSA-N	384.284	3.742	70	1	GHIF	
Cc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1S(=O)(=O)Cl	586927511	FXYWTCCBWUYIQP-UHFFFAOYSA-N	378.837	3.627	70	1	GHIF