O=C1NC(=O)/C(=C\c2ccc(N3CCCC3)cc2)N1 ZINC000000033931 27/82/01/280278201 DBBPIJZZBFBDRE-FMIVXFBMSA-N 0 257.293 CD 1.467 1 Clean mid CDCAMN O=C1NC(=O)/C(=C\c2ccc(N3CCCC3)cc2)N1 O=C1NC(=O)/C(=C\c2ccc(N3CCCC3)cc2)N1 ZINC000000033931 27/81/99/280278199 DBBPIJZZBFBDRE-FMIVXFBMSA-N -1 257.293 CD 1.467 0 Clean ref CDCARM O=C1[N-]C(=O)/C(=C\c2ccc(N3CCCC3)cc2)N1 Cc1cc(N2CCOCC2)ccc1/C=N/n1cnnc1 ZINC000000037666 88/09/20/355880920 NOBGCIYAYTYPLP-RQZCQDPDSA-N 0 271.324 CD 1.305 0 Mild ref CDEARN Cc1cc(N2CCOCC2)ccc1/C=N/n1cnnc1 COc1ccc(-n2cccc2/C=C2/NC(=O)NC2=O)cc1 ZINC000000072223 88/29/88/355882988 QJIPSXCMWGTUMC-UKTHLTGXSA-N 0 283.287 CD 1.666 1 Anodyne mid CDAAMN COc1ccc(-n2cccc2/C=C2/NC(=O)NC2=O)cc1 COc1ccc(-n2cccc2/C=C2/NC(=O)NC2=O)cc1 ZINC000000072223 88/29/75/355882975 QJIPSXCMWGTUMC-UKTHLTGXSA-N -1 283.287 CD 1.666 0 Anodyne ref CDAARM COc1ccc(-n2cccc2/C=C2/NC(=O)[N-]C2=O)cc1 COc1ccc(Cl)cc1/C=C1/NC(=O)NC1=O ZINC000000072229 88/33/89/355883389 SBSCZJBUBPTRGF-VMPITWQZSA-N 0 252.657 CD 1.529 1 Anodyne mid CDAAMN COc1ccc(Cl)cc1/C=C1/NC(=O)NC1=O COc1ccc(Cl)cc1/C=C1/NC(=O)NC1=O ZINC000000072229 88/33/84/355883384 SBSCZJBUBPTRGF-VMPITWQZSA-N -1 252.657 CD 1.529 0 Anodyne ref CDAARM COc1ccc(Cl)cc1/C=C1/NC(=O)[N-]C1=O COc1ccc(/C=C2/NC(=O)NC2=O)c(OC)c1C ZINC000000072258 88/32/20/355883220 MMRNXMGIVODBOI-RMKNXTFCSA-N 0 262.265 CD 1.193 1 Anodyne mid CDAAMN COc1ccc(/C=C2/NC(=O)NC2=O)c(OC)c1C COc1ccc(/C=C2/NC(=O)NC2=O)c(OC)c1C ZINC000000072258 88/32/12/355883212 MMRNXMGIVODBOI-RMKNXTFCSA-N -1 262.265 CD 1.193 0 Anodyne ref CDAARM COc1ccc(/C=C2/NC(=O)[N-]C2=O)c(OC)c1C COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccsc1 ZINC000000072588 52/63/10/169526310 QJKNCYMVAPBLOZ-SECBINFHSA-N 0 252.295 CD 1.549 0 Anodyne ref CDAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccsc1 COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccsc1 ZINC000000072592 88/35/44/355883544 QJKNCYMVAPBLOZ-VIFPVBQESA-N 0 252.295 CD 1.549 0 Anodyne ref CDAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccsc1 O=C1NC(=O)/C(=C\c2cccc(C(F)(F)F)c2)N1 ZINC000000073074 88/34/04/355883404 MILYCRZXXXKJFB-VMPITWQZSA-N 0 256.183 CD 1.886 1 Anodyne mid CDAAMN O=C1NC(=O)/C(=C\c2cccc(C(F)(F)F)c2)N1 O=C1NC(=O)/C(=C\c2cccc(C(F)(F)F)c2)N1 ZINC000000073074 88/33/96/355883396 MILYCRZXXXKJFB-VMPITWQZSA-N -1 256.183 CD 1.886 0 Anodyne ref CDAARM O=C1[N-]C(=O)/C(=C\c2cccc(C(F)(F)F)c2)N1 Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccccc2O)n1 ZINC000000086490 88/51/61/355885161 NVGCDJZHZBZZAY-CXUHLZMHSA-N -1 296.334 CD 1.977 3 Mild high CDEAHM Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccccc2[O-])n1 Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccccc2O)n1 ZINC000000086490 88/51/56/355885156 NVGCDJZHZBZZAY-CXUHLZMHSA-N 0 296.334 CD 1.977 0 Mild ref CDEARN Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccccc2O)n1 CN1C(=O)C(=Cc2cccs2)C(=O)N(C)C1=S ZINC000000086679 87/25/95/276872595 PRUHFDRJHVCLES-UHFFFAOYSA-N 0 266.347 CD 1.347 0 Clean ref CDCARN CN1C(=O)C(=Cc2cccs2)C(=O)N(C)C1=S CCN1C(=O)[C@](O)(CC(=O)c2ccccn2)c2ccccc21 ZINC000000086867 88/54/92/355885492 DMGRHOZMGMKIBU-KRWDZBQOSA-N 0 296.326 CD 1.909 0 Anodyne ref CDAARN CCN1C(=O)[C@](O)(CC(=O)c2ccccn2)c2ccccc21 CCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2ccccc21 ZINC000000086868 88/52/94/355885294 DMGRHOZMGMKIBU-QGZVFWFLSA-N 0 296.326 CD 1.909 0 Anodyne ref CDAARN CCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2ccccc21 Cc1ccc2c(c1)[C@@](O)(CC(=O)c1ccccn1)C(=O)N2 ZINC000000086872 88/50/63/355885063 LZBDRKHGFDMVSB-INIZCTEOSA-N 0 282.299 CD 1.803 0 Anodyne ref CDAARN Cc1ccc2c(c1)[C@@](O)(CC(=O)c1ccccn1)C(=O)N2 Cc1ccc2c(c1)[C@](O)(CC(=O)c1ccccn1)C(=O)N2 ZINC000000086875 88/53/79/355885379 LZBDRKHGFDMVSB-MRXNPFEDSA-N 0 282.299 CD 1.803 0 Anodyne ref CDAARN Cc1ccc2c(c1)[C@](O)(CC(=O)c1ccccn1)C(=O)N2 O=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1ccccn1 ZINC000000086991 53/16/16/169531616 WKCSXUPCAHROIH-HNNXBMFYSA-N 0 286.262 CD 1.633 0 Anodyne ref CDAARN O=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1ccccn1 COCc1cc(C)nc2sc(C(N)=O)c(N)c12 ZINC000000087687 49/23/46/285492346 IHMBNOOUSWWUFM-UHFFFAOYSA-N 0 251.311 CD 1.432 0 Anodyne ref CDAARN COCc1cc(C)nc2sc(C(N)=O)c(N)c12 N#Cc1ccc(-c2ccc(/C=C3/NC(=O)NC3=O)o2)cc1 ZINC000000088972 83/07/18/373830718 COOPVPZMXVZZLD-KPKJPENVSA-N 0 279.255 CD 1.999 1 Mild mid CDEAMN N#Cc1ccc(-c2ccc(/C=C3/NC(=O)NC3=O)o2)cc1 N#Cc1ccc(-c2ccc(/C=C3/NC(=O)NC3=O)o2)cc1 ZINC000000088972 83/07/05/373830705 COOPVPZMXVZZLD-KPKJPENVSA-N -1 279.255 CD 1.999 0 Mild ref CDEARM N#Cc1ccc(-c2ccc(/C=C3/NC(=O)[N-]C3=O)o2)cc1 Cc1ccsc1C=C1C(=O)N(C)C(=S)N(C)C1=O ZINC000000105187 13/40/06/390134006 GNHROICSTJBSDW-UHFFFAOYSA-N 0 280.374 CD 1.655 0 Clean ref CDCARN Cc1ccsc1C=C1C(=O)N(C)C(=S)N(C)C1=O Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)NC3=O)c2C)nc1 ZINC000000105726 88/73/45/355887345 WWFGHMZQCXLPAE-NTUHNPAUSA-N 0 296.33 CD 1.978 1 Clean mid CDCAMN Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)NC3=O)c2C)nc1 Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)NC3=O)c2C)nc1 ZINC000000105726 88/73/42/355887342 WWFGHMZQCXLPAE-NTUHNPAUSA-N -1 296.33 CD 1.978 0 Clean ref CDCARM Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)[N-]C3=O)c2C)nc1 COCc1cc(C)nc(SCC(=O)O)c1C#N ZINC000000109032 83/32/19/373833219 MJLLTDZSIPEIAO-UHFFFAOYSA-N -1 252.295 CD 1.585 0 Mild ref CDEARM COCc1cc(C)nc(SCC(=O)[O-])c1C#N CSc1ccc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc1 ZINC000000122088 17/09/52/278170952 WIZCRUUGHPJDMK-JXMROGBWSA-N 0 276.317 CD 1.5 1 Clean mid CDCAMN CSc1ccc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc1 CSc1ccc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc1 ZINC000000122088 17/09/47/278170947 WIZCRUUGHPJDMK-JXMROGBWSA-N -1 276.317 CD 1.5 0 Clean ref CDCARM CSc1ccc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)cc1 Cc1cccc2c1N(C)C(=O)/C2=C1\N=C(S)NC1=O ZINC000000199220 28/08/68/281280868 MYXVXNVYFFLVMN-HJWRWDBZSA-N -1 273.317 CD 1.098 1 Anodyne mid CDAAMM Cc1cccc2c1N(C)C(=O)C2=C1NC(=S)[N-]C1=O Cc1cccc2c1N(C)C(=O)/C2=C1\N=C(S)NC1=O ZINC000000199220 28/08/67/281280867 MYXVXNVYFFLVMN-HJWRWDBZSA-N 0 273.317 CD 1.098 0 Anodyne ref CDAARN Cc1cccc2c1N(C)C(=O)C2=C1NC(=S)NC1=O O=C1NC(=S)N/C1=C/c1ccc(N2CCCC2)c(F)c1 ZINC000000202300 89/51/44/355895144 WGZOIRWRWYEZIR-DHZHZOJOSA-N -1 291.351 CD 1.771 1 Clean mid CDCAMM O=C1[N-]C(=S)NC1=Cc1ccc(N2CCCC2)c(F)c1 O=C1NC(=S)N/C1=C/c1ccc(N2CCCC2)c(F)c1 ZINC000000202300 89/51/38/355895138 WGZOIRWRWYEZIR-DHZHZOJOSA-N 0 291.351 CD 1.771 0 Clean ref CDCARN O=C1NC(=S)NC1=Cc1ccc(N2CCCC2)c(F)c1 Nc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccccc32)cc1 ZINC000000283778 90/12/33/355901233 KFRYAJUTOBAFDT-MRXNPFEDSA-N 0 282.299 CD 1.681 0 Anodyne ref CDAARN Nc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccccc32)cc1 N#C/C(=C\c1cccs1)C(=O)NC[C@@H]1CCCO1 ZINC000000289069 79/11/82/263791182 OAXOEQIIUUDNSZ-HUYFXPKMSA-N 0 262.334 CD 1.95 0 Reactive ref CDGARN N#C/C(=C\c1cccs1)C(=O)NC[C@@H]1CCCO1 COc1ccccc1C=C1C(=O)N(C)C(=S)N(C)C1=O ZINC000000296070 04/79/08/278047908 YAFKDGYJASXXSD-UHFFFAOYSA-N 0 290.344 CD 1.294 0 Clean ref CDCARN COc1ccccc1C=C1C(=O)N(C)C(=S)N(C)C1=O Oc1ccc(-n2cccc2/C=N/n2cnnc2)cc1 ZINC000000310335 90/36/50/355903650 CWVHXBBIXWGQBP-LZYBPNLTSA-N 0 253.265 CD 1.657 0 Mild ref CDEARN Oc1ccc(-n2cccc2/C=N/n2cnnc2)cc1 COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1C ZINC000000312303 13/56/66/390135666 VOUGSDKLXKTSDO-LBPRGKRZSA-N 0 260.293 CD 1.796 1 Anodyne mid CDAAMN COC(=O)C1C(C)=NC(=O)N[C@H]1c1ccccc1C COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1C ZINC000000312303 13/56/63/390135663 VOUGSDKLXKTSDO-LBPRGKRZSA-N 0 260.293 CD 1.796 0 Anodyne ref CDAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1C COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C ZINC000000312304 13/64/83/390136483 VOUGSDKLXKTSDO-GFCCVEGCSA-N 0 260.293 CD 1.796 1 Anodyne mid CDAAMN COC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccccc1C COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C ZINC000000312304 13/64/80/390136480 VOUGSDKLXKTSDO-GFCCVEGCSA-N 0 260.293 CD 1.796 0 Anodyne ref CDAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C COc1cccc(/C=C2/NC(=O)NC2=O)c1OC(C)C ZINC000000317916 90/44/93/355904493 RFDZPSQCBFJHSO-JXMROGBWSA-N 0 276.292 CD 1.663 1 Anodyne mid CDAAMN COc1cccc(/C=C2/NC(=O)NC2=O)c1OC(C)C COc1cccc(/C=C2/NC(=O)NC2=O)c1OC(C)C ZINC000000317916 90/44/91/355904491 RFDZPSQCBFJHSO-JXMROGBWSA-N -1 276.292 CD 1.663 0 Anodyne ref CDAARM COc1cccc(/C=C2/NC(=O)[N-]C2=O)c1OC(C)C O=C1NC(=O)/C(=C\c2ccccc2Br)N1 ZINC000000318192 16/94/83/364169483 IXOQHQRBVUQOTH-VMPITWQZSA-N 0 267.082 CD 1.629 1 Anodyne mid CDAAMN O=C1NC(=O)/C(=C\c2ccccc2Br)N1 O=C1NC(=O)/C(=C\c2ccccc2Br)N1 ZINC000000318192 16/94/74/364169474 IXOQHQRBVUQOTH-VMPITWQZSA-N -1 267.082 CD 1.629 0 Anodyne ref CDAARM O=C1[N-]C(=O)/C(=C\c2ccccc2Br)N1 Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1C ZINC000000318471 88/15/57/291881557 OGDYUPAQBZJSNJ-UHFFFAOYSA-N 0 291.376 CD 1.241 0 Clean ref CDCARN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1C O=C1N=C(O)/C(=C\C=C\c2ccc([N+](=O)[O-])o2)C(=O)N1 ZINC000000332537 27/72/67/280277267 ARLZGCMAOWAQKG-OWOJBTEDSA-N 0 277.192 CD 1.334 1 Clean mid CDCAMN O=C1NC(=O)C(=CC=Cc2ccc([N+](=O)[O-])o2)C(=O)N1 O=C1N=C(O)/C(=C\C=C\c2ccc([N+](=O)[O-])o2)C(=O)N1 ZINC000000332537 27/72/65/280277265 ARLZGCMAOWAQKG-OWOJBTEDSA-N -1 277.192 CD 1.334 0 Clean ref CDCARM O=C1[N-]C(=O)C(=CC=Cc2ccc([N+](=O)[O-])o2)C(=O)N1 Cn1c2ccccc2c2nnc(SCC(=O)O)nc21 ZINC000000368664 90/72/04/355907204 IAALDQFHCHESFM-UHFFFAOYSA-N -1 274.305 CD 1.693 0 Anodyne ref CDAARM Cn1c2ccccc2c2nnc(SCC(=O)[O-])nc21 COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(C)c1 ZINC000000395980 90/86/90/355908690 JADRMQQPVYRZDI-ZDUSSCGKSA-N 0 290.319 CD 1.805 1 Anodyne mid CDAAMN COC(=O)C1C(C)=NC(=O)N[C@H]1c1ccc(OC)c(C)c1 COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(C)c1 ZINC000000395980 90/86/87/355908687 JADRMQQPVYRZDI-ZDUSSCGKSA-N 0 290.319 CD 1.805 0 Anodyne ref CDAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(C)c1 COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(C)c1 ZINC000000395981 90/88/83/355908883 JADRMQQPVYRZDI-CYBMUJFWSA-N 0 290.319 CD 1.805 1 Anodyne mid CDAAMN COC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc(OC)c(C)c1 COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(C)c1 ZINC000000395981 90/88/80/355908880 JADRMQQPVYRZDI-CYBMUJFWSA-N 0 290.319 CD 1.805 0 Anodyne ref CDAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(C)c1 CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccsc1 ZINC000000445658 91/18/58/355911858 YDPAVIZFYHAEHR-JTQLQIEISA-N 0 266.322 CD 1.939 0 Anodyne ref CDAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccsc1 CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccsc1 ZINC000000445659 91/16/19/355911619 YDPAVIZFYHAEHR-SNVBAGLBSA-N 0 266.322 CD 1.939 0 Anodyne ref CDAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccsc1 O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1 ZINC000000446583 98/45/52/361984552 ZHSZQQXSIGLRTL-DHZHZOJOSA-N 0 299.242 CD 1.649 2 Clean low CDCALN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1 O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1 ZINC000000446583 98/45/49/361984549 ZHSZQQXSIGLRTL-DHZHZOJOSA-N -1 299.242 CD 1.649 0 Clean ref CDCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1 CN1C(=O)C(=Cc2ccsc2)C(=O)N(C)C1=S ZINC000000450794 91/24/76/355912476 BXVYPVDUEOIJGD-UHFFFAOYSA-N 0 266.347 CD 1.347 0 Clean ref CDCARN CN1C(=O)C(=Cc2ccsc2)C(=O)N(C)C1=S Cc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)s1 ZINC000000450798 09/08/20/292090820 PDUMXVUZNDKNSR-UHFFFAOYSA-N 0 280.374 CD 1.655 0 Clean ref CDCARN Cc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)s1 CCc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 ZINC000000450915 66/69/44/276666944 COBAAWMMMQKVEA-UHFFFAOYSA-N 0 288.372 CD 1.848 0 Clean ref CDCARN CCc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 O=C(O)COc1ccc(/C=N/n2cnnc2)cc1Cl ZINC000000451018 64/39/04/169643904 HGZQBTHGYJGVCY-SYZQJQIISA-N -1 280.671 CD 1.277 0 Mild ref CDEARM O=C([O-])COc1ccc(/C=N/n2cnnc2)cc1Cl Cc1ccccc1C=C1C(=O)N(C)C(=S)N(C)C1=O ZINC000000451094 34/02/58/281340258 VSWUJOQZDGXXSB-UHFFFAOYSA-N 0 274.345 CD 1.594 0 Clean ref CDCARN Cc1ccccc1C=C1C(=O)N(C)C(=S)N(C)C1=O C[C@H](Oc1ccc(/C=N/n2cnnc2)cc1)C(=O)O ZINC000000451337 91/27/25/355912725 GBFQAEKSUGXARA-JBZZFUPASA-N -1 260.253 CD 1.012 0 Mild ref CDEARM C[C@H](Oc1ccc(/C=N/n2cnnc2)cc1)C(=O)[O-] C[C@@H](Oc1ccc(/C=N/n2cnnc2)cc1)C(=O)O ZINC000000451340 91/26/55/355912655 GBFQAEKSUGXARA-UXWFALKESA-N -1 260.253 CD 1.012 0 Mild ref CDEARM C[C@@H](Oc1ccc(/C=N/n2cnnc2)cc1)C(=O)[O-] COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccsc1 ZINC000000451838 74/17/81/283741781 SILDBCVSLDIQPZ-SNVBAGLBSA-N 0 266.322 CD 1.891 0 Anodyne ref CDAARN COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccsc1 COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccsc1 ZINC000000451839 91/26/61/355912661 SILDBCVSLDIQPZ-JTQLQIEISA-N 0 266.322 CD 1.891 0 Anodyne ref CDAARN COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccsc1 COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000000451968 99/61/94/361996194 RGZGSTBIAFBXGZ-SNVBAGLBSA-N 0 295.251 CD 1.331 0 Bother ref CDBARN COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])o1 COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000000451969 64/41/39/169644139 RGZGSTBIAFBXGZ-JTQLQIEISA-N 0 295.251 CD 1.331 0 Bother ref CDBARN COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc([N+](=O)[O-])o1 C=CCc1cc(/C=N/n2cnnc2)cc(OCC)c1O ZINC000000452325 79/23/68/326792368 AMJMAOYRGJLIFG-CAOOACKPSA-N -1 272.308 CD 1.993 3 Mild high CDEAHM C=CCc1cc(/C=N/n2cnnc2)cc(OCC)c1[O-] C=CCc1cc(/C=N/n2cnnc2)cc(OCC)c1O ZINC000000452325 79/23/67/326792367 AMJMAOYRGJLIFG-CAOOACKPSA-N 0 272.308 CD 1.993 0 Mild ref CDEARN C=CCc1cc(/C=N/n2cnnc2)cc(OCC)c1O CCn1c(C)cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c1C ZINC000000463325 91/21/85/355912185 DJHLXJKVHRZLFE-XFFZJAGNSA-N -1 291.376 CD 1.381 1 Clean mid CDCAMM CCn1c(C)cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c1C CCn1c(C)cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c1C ZINC000000463325 91/21/75/355912175 DJHLXJKVHRZLFE-XFFZJAGNSA-N 0 291.376 CD 1.381 0 Clean ref CDCARN CCn1c(C)cc(C=C2C(=O)NC(=S)N(C)C2=O)c1C CCc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1 ZINC000000478875 66/47/63/276664763 AJPXYMMKTNHOMA-DHZHZOJOSA-N -1 274.345 CD 1.505 1 Clean mid CDCAMM CCc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1 CCc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1 ZINC000000478875 66/47/61/276664761 AJPXYMMKTNHOMA-DHZHZOJOSA-N 0 274.345 CD 1.505 0 Clean ref CDCARN CCc1ccc(C=C2C(=O)NC(=S)N(C)C2=O)cc1 Cc1c(/C=C2/NC(=O)NC2=O)c2ccccc2n1C ZINC000000489295 58/20/63/278582063 IFIXUEROBQQWRK-YRNVUSSQSA-N 0 255.277 CD 1.667 1 Clean mid CDCAMN Cc1c(/C=C2/NC(=O)NC2=O)c2ccccc2n1C Cc1c(/C=C2/NC(=O)NC2=O)c2ccccc2n1C ZINC000000489295 58/20/58/278582058 IFIXUEROBQQWRK-YRNVUSSQSA-N -1 255.277 CD 1.667 0 Clean ref CDCARM Cc1c(/C=C2/NC(=O)[N-]C2=O)c2ccccc2n1C Cc1nn2cnc3cc(-c4ccccc4)nn3c2nc1=O ZINC000000527824 91/52/16/355915216 GQFSQSLTSVCOJX-UHFFFAOYSA-N 0 278.275 CD 1.108 0 Anodyne ref CDAARN Cc1nn2cnc3cc(-c4ccccc4)nn3c2nc1=O NC(=S)N/N=C/c1cccn1-c1ccc(F)cc1 ZINC000000533160 91/60/21/355916021 QSCVHGJUJRHVLX-OVCLIPMQSA-N 0 262.313 CD 1.784 0 Mild ref CDEARN NC(=S)N/N=C/c1cccn1-c1ccc(F)cc1 COc1cccc(/C=N/n2cnnc2)c1O[C@@H](C)C(=O)O ZINC000000559060 91/59/14/355915914 PRNRXZPOMKKHNH-SWEBQMAJSA-N -1 290.279 CD 1.021 0 Mild ref CDEARM COc1cccc(/C=N/n2cnnc2)c1O[C@@H](C)C(=O)[O-] COc1cccc(/C=N/n2cnnc2)c1O[C@H](C)C(=O)O ZINC000000559062 66/83/03/169668303 PRNRXZPOMKKHNH-JPEBENEDSA-N -1 290.279 CD 1.021 0 Mild ref CDEARM COc1cccc(/C=N/n2cnnc2)c1O[C@H](C)C(=O)[O-] C=CCN1C(=O)N/C(=C/c2ccc(C#N)cc2)C1=O ZINC000000561122 45/02/04/361450204 MGGFZBJDOOIXCQ-XYOKQWHBSA-N 0 253.261 CD 1.637 0 Mild ref CDEARN C=CCN1C(=O)N/C(=C/c2ccc(C#N)cc2)C1=O CCN(CC)c1ccc(C=C2C(=O)NC(=S)NC2=O)o1 ZINC000000562672 29/86/27/528298627 MYDGKMNELJBOGV-UHFFFAOYSA-N -1 293.348 CD 1.04 1 Clean mid CDCAMM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=S)NC2=O)o1 CCN(CC)c1ccc(C=C2C(=O)NC(=S)NC2=O)o1 ZINC000000562672 29/86/22/528298622 MYDGKMNELJBOGV-UHFFFAOYSA-N 0 293.348 CD 1.04 0 Clean ref CDCARN CCN(CC)c1ccc(C=C2C(=O)NC(=S)NC2=O)o1 O=C1NC(=S)NC(=O)C1=Cc1ccc(Cl)s1 ZINC000000563912 28/14/48/280281448 WNVDWJHWLPIPFN-UHFFFAOYSA-N -1 272.738 CD 1.316 1 Clean mid CDCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(Cl)s1 O=C1NC(=S)NC(=O)C1=Cc1ccc(Cl)s1 ZINC000000563912 28/14/41/280281441 WNVDWJHWLPIPFN-UHFFFAOYSA-N 0 272.738 CD 1.316 0 Clean ref CDCARN O=C1NC(=S)NC(=O)C1=Cc1ccc(Cl)s1 Cc1cc(N2CCCC2)ccc1/C=N/NC(N)=S ZINC000000563969 91/75/18/355917518 LTLCFVQLZKZLHU-OQLLNIDSSA-N 1 262.382 CD 1.762 1 Mild mid CDEAMO Cc1cc(N2CCCC2)ccc1/C=[NH+]/NC(N)=S Cc1cc(N2CCCC2)ccc1/C=N/NC(N)=S ZINC000000563969 91/75/13/355917513 LTLCFVQLZKZLHU-OQLLNIDSSA-N 0 262.382 CD 1.762 0 Mild ref CDEARN Cc1cc(N2CCCC2)ccc1/C=N/NC(N)=S O=C(O)c1cccc(-n2cccc2/C=N/n2cnnc2)c1 ZINC000000563982 91/75/26/355917526 ZSVJVDMQGNNTAL-CAOOACKPSA-N -1 281.275 CD 1.649 0 Mild ref CDEARM O=C([O-])c1cccc(-n2cccc2/C=N/n2cnnc2)c1 C=CCN1C(=O)N/C(=C/c2ccc(O)c(OCC)c2)C1=O ZINC000000564246 44/96/42/361449642 KUOKNABADLXQTI-DHZHZOJOSA-N 0 288.303 CD 1.87 0 Mild ref CDEARN C=CCN1C(=O)N/C(=C/c2ccc(O)c(OCC)c2)C1=O O=C1NC(=O)/C(=C\c2ccc(N3CCCCC3)cc2)N1 ZINC000000565620 91/68/19/355916819 SMADEFCDVZIWCN-JLHYYAGUSA-N 0 271.32 CD 1.857 1 Clean mid CDCAMN O=C1NC(=O)/C(=C\c2ccc(N3CCCCC3)cc2)N1 O=C1NC(=O)/C(=C\c2ccc(N3CCCCC3)cc2)N1 ZINC000000565620 91/68/10/355916810 SMADEFCDVZIWCN-JLHYYAGUSA-N -1 271.32 CD 1.857 0 Clean ref CDCARM O=C1[N-]C(=O)/C(=C\c2ccc(N3CCCCC3)cc2)N1 COc1ccc(-n2cccc2/C=N/NC(N)=S)cc1 ZINC000000566215 91/66/65/355916665 USNTZROMENNFBG-OQLLNIDSSA-N 0 274.349 CD 1.653 0 Mild ref CDEARN COc1ccc(-n2cccc2/C=N/NC(N)=S)cc1 CCN1C(=O)N/C(=C/c2ccc(OC)c(OC)c2)C1=O ZINC000000571851 91/81/57/355918157 HRQGNZFXVFRJCP-JXMROGBWSA-N 0 276.292 CD 1.616 0 Anodyne ref CDAARN CCN1C(=O)N/C(=C/c2ccc(OC)c(OC)c2)C1=O COc1cccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1 ZINC000000573119 00/87/21/278008721 XYBOCYPBMFBMIC-UHFFFAOYSA-N 0 290.344 CD 1.294 0 Clean ref CDCARN COc1cccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1 CN1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)NC1=S ZINC000000578780 28/02/92/282280292 RZWJARYYJZSPGQ-DHZHZOJOSA-N -1 289.36 CD 1.009 1 Clean mid CDCAMM CN1C(=O)C(=Cc2ccc(N(C)C)cc2)C(=O)[N-]C1=S CN1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)NC1=S ZINC000000578780 28/02/91/282280291 RZWJARYYJZSPGQ-DHZHZOJOSA-N 0 289.36 CD 1.009 0 Clean ref CDCARN CN1C(=O)C(=Cc2ccc(N(C)C)cc2)C(=O)NC1=S O=C1Nc2ccccc2[C@H]1[C@]1(O)C(=O)Nc2ccc(F)cc21 ZINC000000613731 30/49/60/280304960 GWARABSOJONSBW-CJNGLKHVSA-N 0 298.273 CD 1.701 0 Anodyne ref CDAARN O=C1Nc2ccccc2[C@H]1[C@]1(O)C(=O)Nc2ccc(F)cc21 O=C1Nc2ccccc2[C@H]1[C@@]1(O)C(=O)Nc2ccc(F)cc21 ZINC000000613733 30/46/29/280304629 GWARABSOJONSBW-CZUORRHYSA-N 0 298.273 CD 1.701 0 Anodyne ref CDAARN O=C1Nc2ccccc2[C@H]1[C@@]1(O)C(=O)Nc2ccc(F)cc21 O=C(C[C@]1(O)C(=O)Nc2ccc(F)cc21)c1ccco1 ZINC000000614075 91/92/56/355919256 PSJRXVACBFNHLP-CQSZACIVSA-N 0 275.235 CD 1.831 0 Anodyne ref CDAARN O=C(C[C@]1(O)C(=O)Nc2ccc(F)cc21)c1ccco1