O=C(O)COc1nn(Cc2ccccc2)c2ccccc12 ZINC000000001000 50/78/50/371507850 BYFMCKSPFYVMOU-UHFFFAOYSA-N -1 282.299 CF 2.548 0 Anodyne ref CFAARM O=C([O-])COc1nn(Cc2ccccc2)c2ccccc12 in-man C[C@H](Oc1c(Cl)cccc1Cl)C1=NCCN1 ZINC000000001266 58/81/82/279588182 KSMAGQUYOIHWFS-ZETCQYMHSA-N 1 259.136 CF 2.762 0 Anodyne ref CFAARO C[C@H](Oc1c(Cl)cccc1Cl)C1=[NH+]CCN1 world CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1 ZINC000000001448 50/76/07/371507607 MIWWSGDADVMLTG-UHFFFAOYSA-N 0 279.321 CF 2.629 0 Bother ref CFBARN CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1 investigational C[C@@H](Oc1c(Cl)cccc1Cl)C1=NCCN1 ZINC000000005626 40/86/08/278408608 KSMAGQUYOIHWFS-SSDOTTSWSA-N 1 259.136 CF 2.762 0 Anodyne ref CFAARO C[C@@H](Oc1c(Cl)cccc1Cl)C1=[NH+]CCN1 world COc1cc(-c2ccccn2)nc(/C=N/O)c1SC ZINC000000005789 50/80/64/371508064 NQGMIPUYCWIEAW-OVCLIPMQSA-N -1 275.333 CF 2.682 3 Mild high CFEBHM COc1cc(-c2ccccn2)nc(/C=N/[O-])c1SC in-vitro biogenic COc1cc(-c2ccccn2)nc(/C=N/O)c1SC ZINC000000005789 50/80/63/371508063 NQGMIPUYCWIEAW-OVCLIPMQSA-N 0 275.333 CF 2.682 0 Mild ref CFEBRN COc1cc(-c2ccccn2)nc(/C=N/O)c1SC in-vitro biogenic CN(C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1 ZINC000000009342 44/61/85/393446185 KYYIDSXMWOZKMP-OAHLLOKOSA-N 0 263.381 CF 2.733 3 Anodyne high CFAAHN CN(C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1 fda CN(C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1 ZINC000000009342 44/61/73/393446173 KYYIDSXMWOZKMP-OAHLLOKOSA-N 1 263.381 CF 2.733 0 Anodyne ref CFAARO C[NH+](C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1 fda CC(C)NC[C@@H](O)COc1cccc2ccccc12 ZINC000000020240 50/96/89/371509689 AQHHHDLHHXJYJD-CQSZACIVSA-N 1 259.349 CF 2.578 0 Anodyne ref CFAARO CC(C)[NH2+]C[C@@H](O)COc1cccc2ccccc12 fda Brc1ccc(OCCN2CCCC2)cc1 ZINC000000056522 51/86/94/371518694 YDWKSSWZGXRQET-UHFFFAOYSA-N 0 270.17 CF 2.924 3 Anodyne high CFAAHN Brc1ccc(OCCN2CCCC2)cc1 Brc1ccc(OCCN2CCCC2)cc1 ZINC000000056522 51/86/85/371518685 YDWKSSWZGXRQET-UHFFFAOYSA-N 1 270.17 CF 2.924 0 Anodyne ref CFAARO Brc1ccc(OCC[NH+]2CCCC2)cc1 CC(C)NC[C@H](O)COc1cccc2ccccc12 ZINC000000056556 51/82/11/371518211 AQHHHDLHHXJYJD-AWEZNQCLSA-N 1 259.349 CF 2.578 0 Anodyne ref CFAARO CC(C)[NH2+]C[C@H](O)COc1cccc2ccccc12 fda biogenic COc1c2occc2c(OC)c2c(=O)cc(C)oc12 ZINC000000056654 18/96/50/286189650 HSMPDPBYAYSOBC-UHFFFAOYSA-N 0 260.245 CF 2.865 0 Anodyne ref CFAARN COc1c2occc2c(OC)c2c(=O)cc(C)oc12 world biogenic Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1 ZINC000000057435 51/88/83/371518883 WYWIFABBXFUGLM-UHFFFAOYSA-N 1 260.381 CF 2.851 0 Anodyne ref CFAARO Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=[NH+]CCN1 fda O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21 ZINC000000073693 83/66/84/284836684 URFCJEUYXNAHFI-ZDUSSCGKSA-N -1 256.257 CF 2.804 1 Anodyne mid CFAAMM O=C1C[C@@H](c2ccccc2)Oc2cc([O-])cc(O)c21 in-man endogenous O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21 ZINC000000073693 83/66/83/284836683 URFCJEUYXNAHFI-ZDUSSCGKSA-N 0 256.257 CF 2.804 0 Anodyne ref CFAARN O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21 in-man endogenous COc1ccc(C(=O)[C@@H](O)c2ccc(OC)cc2)cc1 ZINC000000074098 52/67/87/169526787 LRRQSCPPOIUNGX-HNNXBMFYSA-N 0 272.3 CF 2.62 0 Anodyne ref CFAARN COc1ccc(C(=O)[C@@H](O)c2ccc(OC)cc2)cc1 COc1ccc(C(=O)[C@H](O)c2ccc(OC)cc2)cc1 ZINC000000074100 52/37/51/371523751 LRRQSCPPOIUNGX-OAHLLOKOSA-N 0 272.3 CF 2.62 0 Anodyne ref CFAARN COc1ccc(C(=O)[C@H](O)c2ccc(OC)cc2)cc1 COC(=O)c1cc(Br)cc(Br)c1 ZINC000000109920 14/91/21/277149121 GSMAWUZTAIOCPL-UHFFFAOYSA-N 0 293.942 CF 2.998 0 Anodyne ref CFAARN COC(=O)c1cc(Br)cc(Br)c1 CCOC(=O)c1oc2ccc(Br)cc2c1N ZINC000000127750 53/71/87/371537187 NPRPLFNZHAIWEC-UHFFFAOYSA-N 0 284.109 CF 2.954 0 Anodyne ref CFAARN CCOC(=O)c1oc2ccc(Br)cc2c1N Nc1cc(C(=O)c2ccccc2C(=O)O)ccc1Cl ZINC000000154508 44/78/47/393447847 MQECGSWGDQIHHD-UHFFFAOYSA-N -1 275.691 CF 2.851 0 Anodyne ref CFAARM Nc1cc(C(=O)c2ccccc2C(=O)[O-])ccc1Cl CN(C)c1ccc(C(O)c2ccc(N(C)C)cc2)cc1 ZINC000000155145 55/70/34/169557034 YLZSIUVOIFJGQZ-UHFFFAOYSA-N 0 270.376 CF 2.9 0 Clean ref CFCARN CN(C)c1ccc(C(O)c2ccc(N(C)C)cc2)cc1 COC(=O)c1[nH]c2ccccc2c1Br ZINC000000170128 14/75/45/277147545 FSLMMQAVWOFUOM-UHFFFAOYSA-N 0 254.083 CF 2.717 0 Anodyne ref CFAARN COC(=O)c1[nH]c2ccccc2c1Br COC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000000207456 42/52/15/277425215 BUMYRKNZGPXFEG-UHFFFAOYSA-N 0 254.083 CF 2.717 0 Anodyne ref CFAARN COC(=O)c1cc2ccc(Br)cc2[nH]1 O=C(N[C@@H](C(=O)O)c1ccccc1)OCc1ccccc1 ZINC000000334639 58/93/33/371589333 RLDJWBVOZVJJOS-CQSZACIVSA-N -1 285.299 CF 2.739 0 Anodyne ref CFAARM O=C(N[C@@H](C(=O)[O-])c1ccccc1)OCc1ccccc1 Cc1c(Br)cncc1Br ZINC000000334922 58/91/90/371589190 BNCGUATWCKZLLN-UHFFFAOYSA-N 0 250.921 CF 2.915 0 Anodyne ref CFAARN Cc1c(Br)cncc1Br CCOC(=O)c1c(C)n(C)c2ccc(OC(C)=O)cc12 ZINC000000365889 59/71/46/371597146 AEWNSBCPMQKSLN-UHFFFAOYSA-N 0 275.304 CF 2.589 0 Anodyne ref CFAARN CCOC(=O)c1c(C)n(C)c2ccc(OC(C)=O)cc12 Nc1cc(Br)cc(Br)c1 ZINC000000399978 79/19/14/326791914 RVNUUWJGSOHMRR-UHFFFAOYSA-N 0 250.921 CF 2.794 0 Anodyne ref CFAARN Nc1cc(Br)cc(Br)c1 CCOC(=O)c1cn(CC)c2c(F)c(F)c(F)cc2c1=O ZINC000000404009 60/71/91/371607191 LWLLHOVWIFISMG-UHFFFAOYSA-N 0 299.248 CF 2.615 0 Anodyne ref CFAARN CCOC(=O)c1cn(CC)c2c(F)c(F)c(F)cc2c1=O O=C(O)Cc1c[nH]c2ccc(Br)cc12 ZINC000000404314 08/82/07/304088207 WTFGHMZUJMRWBK-UHFFFAOYSA-N -1 254.083 CF 2.558 0 Anodyne ref CFAARM O=C([O-])Cc1c[nH]c2ccc(Br)cc12 in-vitro CCn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)cc21 ZINC000000406649 69/66/36/288696636 WNNSMMJBBOPPOT-UHFFFAOYSA-N -1 269.659 CF 2.512 0 Anodyne ref CFAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(Cl)cc21 in-vitro O=[N+]([O-])c1ncc(Br)cc1Br ZINC000000967413 38/38/48/280383848 KVHYCCSVMBUDPH-UHFFFAOYSA-N 0 281.891 CF 2.515 0 Bother ref CFBARN O=[N+]([O-])c1ncc(Br)cc1Br CCOC(=O)c1sc(Cl)nc1C(F)(F)F ZINC000001018011 65/58/95/371655895 RLZUPBSTNNZDDH-UHFFFAOYSA-N 0 259.636 CF 2.992 0 Anodyne ref CFAARN CCOC(=O)c1sc(Cl)nc1C(F)(F)F CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N ZINC000001530762 67/95/62/371679562 KCLANYCVBBTKTO-UHFFFAOYSA-N 0 294.395 CF 2.556 3 Anodyne high CFAAHN CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N fda CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N ZINC000001530762 67/95/51/371679551 KCLANYCVBBTKTO-UHFFFAOYSA-N 1 294.395 CF 2.556 0 Anodyne ref CFAARO CCCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1N fda CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1 ZINC000001532162 67/95/23/371679523 UFHLMYOGRXOCSL-UHFFFAOYSA-N 0 290.406 CF 2.581 0 Anodyne ref CFAARN CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1 in-man endogenous COc1cc(Br)c(CCC#N)cc1OC ZINC000001559672 71/40/06/169714006 PKRKQYZQPMFUJG-UHFFFAOYSA-N 0 270.126 CF 2.922 0 Mild ref CFEARN COc1cc(Br)c(CCC#N)cc1OC COc1ccc(C(=O)C(=O)c2ccc(OC)cc2)cc1 ZINC000001566855 68/07/93/371680793 YNANGXWUZWWFKX-UHFFFAOYSA-N 0 270.284 CF 2.769 0 Clean ref CFCARN COc1ccc(C(=O)C(=O)c2ccc(OC)cc2)cc1 in-vivo CCOC(=O)C(CC)(CCC(C)C)C(=O)OCC ZINC000001648201 69/22/00/371692200 BSPKCYBRFKQSDQ-UHFFFAOYSA-N 0 258.358 CF 2.945 0 Anodyne ref CFAARN CCOC(=O)C(CC)(CCC(C)C)C(=O)OCC CC(C)(c1ccc(O)c(N)c1)c1ccc(O)c(N)c1 ZINC000001712517 70/18/79/371701879 UHIDYCYNRPVZCK-UHFFFAOYSA-N 0 258.321 CF 2.588 0 Anodyne ref CFAARN CC(C)(c1ccc(O)c(N)c1)c1ccc(O)c(N)c1 BrCC(Br)CBr ZINC000001719220 18/43/49/560184349 FHCLGDLYRUPKAM-UHFFFAOYSA-N 0 280.785 CF 2.54 0 Reactive ref CFGARN BrCC(Br)CBr in-vitro O=[N+]([O-])c1c(Br)ccc2ncccc12 ZINC000001719621 35/31/84/280353184 ISBMTVQQECNRQY-UHFFFAOYSA-N 0 253.055 CF 2.905 0 Bother ref CFBARN O=[N+]([O-])c1c(Br)ccc2ncccc12 COC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000001726418 70/38/25/371703825 MFOKOKHNSVUKON-UHFFFAOYSA-N 0 254.083 CF 2.717 0 Anodyne ref CFAARN COC(=O)c1c[nH]c2ccc(Br)cc12 CCOC(=O)C(C(=O)OCC)[C@@H](CC)c1ccccc1 ZINC000001735095 70/51/75/371705175 BBLKIFIEAWSZCW-ZDUSSCGKSA-N 0 278.348 CF 2.923 0 Anodyne ref CFAARN CCOC(=O)C(C(=O)OCC)[C@@H](CC)c1ccccc1 COc1cc(C(=O)O)ccc1OCc1ccccc1 ZINC000001747280 75/40/27/169754027 JGMBQAGNZLBZCE-UHFFFAOYSA-N -1 258.273 CF 2.972 0 Anodyne ref CFAARM COc1cc(C(=O)[O-])ccc1OCc1ccccc1 O=C(O)c1ccc(Cc2ccc(C(=O)O)cc2)cc1 ZINC000001759946 70/69/65/371706965 VTDMBRAUHKUOON-UHFFFAOYSA-N -2 256.257 CF 2.674 0 Anodyne ref CFAARL O=C([O-])c1ccc(Cc2ccc(C(=O)[O-])cc2)cc1 Fc1c(F)c(F)c(I)c(F)c1F ZINC000001845644 70/76/82/371707682 OPYHNLNYCRZOGY-UHFFFAOYSA-N 0 293.96 CF 2.987 0 Anodyne ref CFAARN Fc1c(F)c(F)c(I)c(F)c1F in-vitro CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccccc1 ZINC000001847916 70/87/00/371708700 BQGRVFPPZJPWPB-UHFFFAOYSA-N -1 291.372 CF 2.96 0 Anodyne ref CFAARM CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccccc1 Nc1ccc(Br)cc1C(=O)c1ccccn1 ZINC000002004024 76/67/92/169766792 KHVZPFKJBLTYCC-UHFFFAOYSA-N 0 277.121 CF 2.657 0 Anodyne ref CFAARN Nc1ccc(Br)cc1C(=O)c1ccccn1 in-vitro Oc1cc(I)ccc1Cl ZINC000002028900 71/38/25/371713825 NNZXUSFOILSDCS-UHFFFAOYSA-N 0 254.454 CF 2.65 1 Anodyne mid CFAAMN Oc1cc(I)ccc1Cl Oc1cc(I)ccc1Cl ZINC000002028900 71/38/18/371713818 NNZXUSFOILSDCS-UHFFFAOYSA-N -1 254.454 CF 2.65 0 Anodyne ref CFAARM [O-]c1cc(I)ccc1Cl Nc1c(F)cc(Cl)cc1I ZINC000002244209 34/70/33/295347033 SSNQXCONXNVTJN-UHFFFAOYSA-N 0 271.46 CF 2.666 0 Anodyne ref CFAARN Nc1c(F)cc(Cl)cc1I NCC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000002506582 73/00/93/371730093 KISVATOISQDZJU-UHFFFAOYSA-N 2 252.361 CF 2.667 1 Anodyne mid CFAAMP [NH3+]CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 NCC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000002506582 73/00/81/371730081 KISVATOISQDZJU-UHFFFAOYSA-N 1 252.361 CF 2.667 0 Anodyne ref CFAARO [NH3+]CC1CN(C(c2ccccc2)c2ccccc2)C1 OCC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000002513547 73/18/69/371731869 GEFUGGQLCNKIQP-UHFFFAOYSA-N 0 253.345 CF 2.7 3 Anodyne high CFAAHN OCC1CN(C(c2ccccc2)c2ccccc2)C1 OCC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000002513547 73/18/61/371731861 GEFUGGQLCNKIQP-UHFFFAOYSA-N 1 253.345 CF 2.7 0 Anodyne ref CFAARO OCC1C[NH+](C(c2ccccc2)c2ccccc2)C1 Nc1cc(Br)ccc1OC(F)(F)F ZINC000002525757 34/76/82/295347682 FOJWHUFRHXEUBA-UHFFFAOYSA-N 0 256.021 CF 2.93 0 Anodyne ref CFAARN Nc1cc(Br)ccc1OC(F)(F)F CN(C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1 ZINC000002525885 45/42/16/393454216 KYYIDSXMWOZKMP-HNNXBMFYSA-N 0 263.381 CF 2.733 3 Anodyne high CFAAHN CN(C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1 fda CN(C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1 ZINC000002525885 45/42/04/393454204 KYYIDSXMWOZKMP-HNNXBMFYSA-N 1 263.381 CF 2.733 0 Anodyne ref CFAARO C[NH+](C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1 fda COc1cc2c(=O)[nH]cnc2cc1OCc1ccccc1 ZINC000002527304 80/30/76/169803076 ZCUFFSHMOAEEIL-UHFFFAOYSA-N 0 282.299 CF 2.511 0 Anodyne ref CFAARN COc1cc2c(=O)[nH]cnc2cc1OCc1ccccc1 COC(=O)c1sc2c(c1N)CCc1ccccc1-2 ZINC000002528659 73/30/67/371733067 JOPUIQURXURIQF-UHFFFAOYSA-N 0 259.33 CF 2.883 0 Anodyne ref CFABRN COC(=O)c1sc2c(c1N)CCc1ccccc1-2 Cc1ccc(S(=O)(=O)OCC(F)(F)C(F)F)cc1 ZINC000002530903 73/31/88/371733188 IMDNPHAMGJIKNV-UHFFFAOYSA-N 0 286.246 CF 2.601 0 Mild ref CFEARN Cc1ccc(S(=O)(=O)OCC(F)(F)C(F)F)cc1 CCO/C(C)=N/OS(=O)(=O)c1c(C)cc(C)cc1C ZINC000002534770 73/31/28/371733128 KQCBSWBQAXTILK-WYMLVPIESA-N 0 285.365 CF 2.687 0 Mild ref CFEARN CCO/C(C)=N/OS(=O)(=O)c1c(C)cc(C)cc1C CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)O ZINC000002555043 73/67/73/371736773 BETBOAZCLSJOBQ-LLVKDONJSA-N -1 299.754 CF 2.86 0 Anodyne ref CFAARM CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] O=C(N[C@H](C(=O)O)C1CCCCC1)OCc1ccccc1 ZINC000002556689 73/68/68/371736868 CUSYTUPJAYLNFQ-AWEZNQCLSA-N -1 291.347 CF 2.946 0 Anodyne ref CFAARM O=C(N[C@H](C(=O)[O-])C1CCCCC1)OCc1ccccc1 in-vitro CN(C(=O)OC(C)(C)C)c1ccccc1C(=O)O ZINC000002560861 73/61/16/371736116 UXLICAHPTWWCII-UHFFFAOYSA-N -1 251.282 CF 2.756 0 Anodyne ref CFAARM CN(C(=O)OC(C)(C)C)c1ccccc1C(=O)[O-] CC(=O)N1c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000002565906 02/13/64/277021364 PKYCWFICOKSIHZ-UHFFFAOYSA-N 0 257.245 CF 2.888 0 Anodyne ref CFAARN CC(=O)N1c2ccc(O)cc2Oc2cc(O)ccc21 in-vitro CCOC(=O)CCC(=O)c1ccc(Br)cc1 ZINC000002567574 73/81/77/371738177 VKPICHZTXSNYMN-UHFFFAOYSA-N 0 285.137 CF 2.975 0 Anodyne ref CFAARN CCOC(=O)CCC(=O)c1ccc(Br)cc1 COP(=O)(CC(=O)COc1cccc(Cl)c1)OC ZINC000002570002 73/83/19/371738319 ZNPUZMPUXAFKQZ-UHFFFAOYSA-N 0 292.655 CF 2.774 0 Anodyne ref CFAARN COP(=O)(CC(=O)COc1cccc(Cl)c1)OC O=C(O)c1ccc(Cl)c(I)c1 ZINC000002571851 24/45/75/304244575 SDRURVZKYHGDAP-UHFFFAOYSA-N -1 282.464 CF 2.643 0 Anodyne ref CFAARM O=C([O-])c1ccc(Cl)c(I)c1 CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccccc1 ZINC000002572719 73/84/20/371738420 ACKWQHCPHJQANL-GFCCVEGCSA-N -1 279.336 CF 2.597 0 Anodyne ref CFAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 CCOC(=O)CC(=O)c1ccc(C(F)(F)F)cc1 ZINC000002575916 81/23/85/169812385 HVHVSJPSNQIPEM-UHFFFAOYSA-N -1 260.211 CF 2.841 0 Anodyne ref CFAARM CCOC(=O)C=C([O-])c1ccc(C(F)(F)F)cc1 COP(=O)(CC(=O)CCc1ccccc1)OC ZINC000002576808 81/24/27/169812427 ONYIBVIIOCEBIV-UHFFFAOYSA-N 0 256.238 CF 2.674 0 Anodyne ref CFAARN COP(=O)(CC(=O)CCc1ccccc1)OC CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)O ZINC000002577440 74/02/19/371740219 BRQMDBOVDLUBAI-SNVBAGLBSA-N -1 257.33 CF 2.641 0 Anodyne ref CFAARM CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)[O-] O=C(O)CCC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000002577441 81/26/53/169812653 NZTJJLCAFTZAGK-UHFFFAOYSA-N -1 291.347 CF 2.9 0 Anodyne ref CFAARM O=C([O-])CCC1CCN(C(=O)OCc2ccccc2)CC1 COC(=O)/C=C/c1ccc(CBr)cc1 ZINC000002583896 18/83/25/560188325 ZSRCGGBALFGALF-VOTSOKGWSA-N 0 255.111 CF 2.768 0 Reactive ref CFGARN COC(=O)/C=C/c1ccc(CBr)cc1 in-vitro O=C(O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1 ZINC000002599106 21/97/06/304219706 ZYTWXMBGOUJDHJ-UHFFFAOYSA-N -1 277.283 CF 2.904 0 Anodyne ref CFAARM O=C([O-])c1cc(-c2ccccn2)nc(-c2ccccn2)c1 CC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)OC(C)C ZINC000003163702 77/76/57/371777657 KSZOTXZFYCRWQK-MDWZMJQESA-N 0 277.276 CF 2.519 0 Mild ref CFEARN CC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)OC(C)C O=C(O)c1ccc(OC(F)F)c(OCC2CC2)c1 ZINC000003278513 78/71/82/371787182 IGFDIFLMMLWKKY-UHFFFAOYSA-N -1 258.22 CF 2.775 0 Anodyne ref CFAARM O=C([O-])c1ccc(OC(F)F)c(OCC2CC2)c1 in-vitro O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2 ZINC000003795819 03/12/74/275031274 CPZBLNMUGSZIPR-NVXWUHKLSA-N 0 296.414 CF 2.657 1 Anodyne mid CFAAMN O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2 fda O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2 ZINC000003795819 03/12/73/275031273 CPZBLNMUGSZIPR-NVXWUHKLSA-N 1 296.414 CF 2.657 0 Anodyne ref CFAARO O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1C[NH+]2CCC1CC2 fda O=C(O)CCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003864571 82/12/68/371821268 ZYUWUKIAUDIXCQ-UHFFFAOYSA-N -1 297.267 CF 2.56 0 Bother ref CFBARM O=C([O-])CCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] in-vitro CC(C)(C)OC(=O)N1CCCC[C@H]1CCC(=O)O ZINC000004241181 84/42/72/371844272 BRQMDBOVDLUBAI-JTQLQIEISA-N -1 257.33 CF 2.641 0 Anodyne ref CFAARM CC(C)(C)OC(=O)N1CCCC[C@H]1CCC(=O)[O-] COC(=O)CN=C(c1ccccc1)c1ccccc1 ZINC000004293509 84/75/35/371847535 PQTOLHHWLUCKSB-UHFFFAOYSA-N 0 253.301 CF 2.697 0 Mild ref CFEARN COC(=O)CN=C(c1ccccc1)c1ccccc1 Nc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1 ZINC000004365599 49/48/16/303494816 PPVRMPPLECDING-CCEZHUSRSA-N -1 277.305 CF 2.931 0 Clean ref CFCARM Nc1ccc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)cc1 C1CCC(/N=C(/NC2CCCCC2)N2CCOCC2)CC1 ZINC000004528563 86/21/10/371862110 OZNYZQOTXQSUJM-UHFFFAOYSA-N 1 293.455 CF 2.93 0 Mild ref CFEARO C1CCC(N/C(=[NH+]/C2CCCCC2)N2CCOCC2)CC1 COc1ccc(N2CCN(c3ccc(N)cc3)CC2)cc1 ZINC000004651118 86/96/25/371869625 VXEGSRKPIUDPQT-UHFFFAOYSA-N 1 283.375 CF 2.604 2 Clean low CFCALO COc1ccc(N2CCN(c3ccc([NH3+])cc3)CC2)cc1 in-vitro COc1ccc(N2CCN(c3ccc(N)cc3)CC2)cc1 ZINC000004651118 86/96/14/371869614 VXEGSRKPIUDPQT-UHFFFAOYSA-N 0 283.375 CF 2.604 0 Clean ref CFCARN COc1ccc(N2CCN(c3ccc(N)cc3)CC2)cc1 in-vitro Nc1c(Cl)cc([N+](=O)[O-])cc1Br ZINC000004760197 34/60/72/295346072 GLUCALKKMFBJEB-UHFFFAOYSA-N 0 251.467 CF 2.593 0 Bother ref CFBARN Nc1c(Cl)cc([N+](=O)[O-])cc1Br COC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000004825428 02/43/88/170024388 XTAGEOVGQDJRIC-UHFFFAOYSA-N 0 255.273 CF 2.726 0 Anodyne ref CFAARN COC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 COC(=O)c1cc(O)cc(OCc2ccccc2)c1 ZINC000005046515 06/05/34/170060534 DDPIXQLSJXBHGF-UHFFFAOYSA-N 0 258.273 CF 2.758 0 Anodyne ref CFAARN COC(=O)c1cc(O)cc(OCc2ccccc2)c1 Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1F ZINC000005331496 08/61/94/170086194 ZTEHQPVGEHUXHI-UHFFFAOYSA-N 0 260.224 CF 2.547 0 Bother ref CFBARN Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1F in-vitro Brc1ccc(Br)c2nonc12 ZINC000005944109 46/30/60/393463060 ZUGAIWASFADONS-UHFFFAOYSA-N 0 277.903 CF 2.748 0 Anodyne ref CFAARN Brc1ccc(Br)c2nonc12 COc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O ZINC000005998558 16/65/67/170166567 LKOJGSWUMISDOF-UHFFFAOYSA-N 0 284.267 CF 2.88 1 Anodyne mid CFAAMN COc1c(O)c2c(O)cc(-c3ccccc3)oc-2cc1=O in-vitro biogenic COc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O ZINC000005998558 16/65/66/170166566 LKOJGSWUMISDOF-UHFFFAOYSA-N -1 284.267 CF 2.88 0 Anodyne ref CFAARM COc1c([O-])c2c(O)cc(-c3ccccc3)oc-2cc1=O in-vitro biogenic CCOC(=O)C(C(=O)OCC)[C@H](CC)c1ccccc1 ZINC000006003046 16/72/54/170167254 BBLKIFIEAWSZCW-CYBMUJFWSA-N 0 278.348 CF 2.923 0 Anodyne ref CFAARN CCOC(=O)C(C(=O)OCC)[C@H](CC)c1ccccc1 NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1 ZINC000006091233 21/00/47/295210047 FOGGKKWSFIESMZ-UHFFFAOYSA-N 0 278.526 CF 2.656 0 Anodyne ref CFAARN Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[nH]1 CCOC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000006667032 22/38/92/170223892 NJRONXOELMBCSE-CQSZACIVSA-N 0 291.347 CF 2.598 0 Anodyne ref CFAARN CCOC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 CCOC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000006667033 22/42/35/170224235 NJRONXOELMBCSE-AWEZNQCLSA-N 0 291.347 CF 2.598 0 Anodyne ref CFAARN CCOC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 CCCCCCCCCCCC(=O)OC[C@H](O)CO ZINC000008437476 33/63/98/170336398 ARIWANIATODDMH-CQSZACIVSA-N 0 274.401 CF 2.804 0 Mild ref CFEARN CCCCCCCCCCCC(=O)OC[C@H](O)CO in-vitro