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247 SMILES Strings for Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)

Compound NameSMILES String
BDBM258639 COc1cc(ccc1OCCN1CCC2(COC2)CC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258640 COc1cc(ccc1OCCN1CC(C1)N1CCCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258641 COc1cc(ccc1OCCN1CC(C)(O)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258642 CCc1cc(ccc1OCCN1CCCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258643 CCc1cc(ccc1OCCN1CCCC1)N1CC[C@@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258644 CCc1cc(ccc1OCCN1CC[C@@H](C)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258645 CCc1cc(ccc1OCCN1CC[C@H](C)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258747 COc1cc(ccc1OCCN1CC[C@@H](F)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:21|
BDBM258748 COc1cc(ccc1OCCN1CCOCC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:21|
BDBM258749 COc1cc(ccc1OCCN(C)CCO)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:19|
BDBM258750 COc1cc(ccc1OCCN1CC(O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:20|
BDBM258751 COc1cc(ccc1OCCN1CCC[C@@H]1CO)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:22|
BDBM258752 COc1cc(ccc1OCCN1CCC[C@H]1CO)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:22|
BDBM258753 COc1cc(ccc1OCCN1CCC(F)(F)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:22|
BDBM258773 CCc1cc(ccc1OCCN1CC[C@H](O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:21|
BDBM258796 COc1cc(ccc1OCCN1CCC[C@@H]1CO)N1CC=C(Oc2ccc(cc2)-c2ccccc2)C1=O |r,t:22|
BDBM258797 COc1cc(ccc1OCCN1CCCCC1)N1CC=C(Oc2ccc(cc2)-c2ccccc2)C1=O |t:21|
BDBM258798 COc1cc(ccc1OCCN1CC(C)(O)C1)N1CC=C(Oc2ccc(cc2)-c2ccccc2)C1=O |t:21|
BDBM258799 COc1cc(ccc1OCCN1CC(C1)NC(=O)OC(C)(C)C)N1CC=C(Oc2ccc(cc2)-c2ccccc2)C1=O |t:27|
BDBM258800 COC1CN(CCOc2ccc(cc2OC)N2CC=C(Oc3ccc(cc3)-c3ccccc3)C2=O)C1 |t:19|
BDBM258801 O=C1N(CC=C1Oc1ccc(cc1)C1CC1)[C@@H]1C[C@@H](C1)OCCN1CCCC1 |r,wU:16.18,18.23,c:4,(-.23,2.73,;-1,1.39,;-.09,.15,;-1,-1.1,;-2.46,-.62,;-2.46,.92,;-3.79,1.69,;-5.13,.92,;-5.13,-.62,;-6.46,-1.39,;-7.8,-.62,;-7.8,.92,;-6.46,1.69,;-9.13,-1.39,;-10.67,-1.39,;-9.9,-2.73,;1.4,.55,;2.73,-.22,;3.5,1.11,;2.17,1.88,;4.99,1.51,;6.08,.42,;7.56,.82,;8.65,-.27,;8.18,-1.74,;9.42,-2.64,;10.67,-1.74,;10.19,-.27,)|
BDBM258646 CCc1cc(ccc1OCCN1CC2(COC2)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258647 CCc1cc(ccc1OCCN1CCC(F)(F)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258648 CCc1cc(ccc1OCCN1CCOCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258649 CCc1cc(ccc1OCCN(C)CCO)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258650 CCc1cc(ccc1OCCN1CC[C@H](O)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258802 O=C1N(CC=C1Oc1ccc(cc1)C1CC1)[C@@H]1C[C@@H](C1)OCCN1CCOCC1 |r,wU:16.18,18.23,c:4,(-.51,2.79,;-1.28,1.45,;-.37,.21,;-1.28,-1.04,;-2.74,-.56,;-2.74,.98,;-4.07,1.75,;-5.41,.98,;-5.41,-.56,;-6.74,-1.33,;-8.08,-.56,;-8.08,.98,;-6.74,1.75,;-9.41,-1.33,;-10.95,-1.33,;-10.18,-2.67,;1.12,.61,;2.45,-.16,;3.22,1.17,;1.89,1.94,;4.71,1.57,;5.8,.48,;7.28,.88,;8.37,-.21,;7.97,-1.7,;9.06,-2.79,;10.55,-2.39,;10.95,-.9,;9.86,.19,)|
BDBM258803 OC1(CN(CCO[C@H]2C[C@H](C2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1)C1CC1 |r,wU:9.11,7.6,t:14,(10.04,-2.81,;8.95,-1.72,;7.41,-1.72,;7.4,-.18,;6.31,.9,;4.82,.51,;3.73,1.59,;2.24,1.2,;1.47,-.14,;.14,.63,;.91,1.97,;-1.35,.23,;-2.25,-1.01,;-3.72,-.54,;-3.72,1,;-5.05,1.77,;-6.39,1,;-6.39,-.54,;-7.72,-1.31,;-9.05,-.54,;-9.05,1,;-7.72,1.77,;-10.39,-1.31,;-11.93,-1.31,;-11.16,-2.64,;-2.25,1.48,;-1.48,2.81,;8.95,-.18,;10.44,-1.33,;11.93,-1.72,;11.53,-.24,)|
BDBM258602 COc1cc(ccc1OCCN1CCCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258651 CCc1cc(ccc1OCCN1CC[C@@H](O)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258652 CCc1cc(ccc1OCCN1CCC[C@@H]1CO)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258653 CCc1cc(ccc1OCCN1CCNC(=O)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258654 CCc1cc(ccc1OCCN1CC(O)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258655 CCc1cc(ccc1OCCN1CCC[C@H]1CO)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258656 CCc1cc(ccc1OCCNC1(C)COC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258657 CCc1cc(ccc1OCCN1C[C@H](O)[C@H](O)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258658 CCc1cc(ccc1OCCN1CC[C@H](C1)OC)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258659 CCc1cc(ccc1OCCN1CC=CC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r,c:14|
BDBM258660 CCc1cc(ccc1OCCNC)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258661 CCc1cc(ccc1OCCN)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258662 CCc1cc(ccc1OCCN1CCC[C@@H]1OC)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258663 CCc1cc(ccc1OCCN(C)C)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258754 COc1cc(ccc1OCCN1CC[C@H](C1)NC(=O)C(F)(F)F)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:27|
BDBM258755 COc1cc(ccc1OCCN1CCC2(COC2)CC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:25|
BDBM258756 COC1CN(CCOc2ccc(cc2OC)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:19|
BDBM258757 COc1cc(ccc1OCCN1CC(C)(O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:21|
BDBM258666 Cc1cc(ccc1OCCN1CCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258664 Cc1cc(ccc1OCCN1CCCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258665 Cc1cc(ccc1OCCN1CCCC1)N1CC[C@@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258667 COCCNCCOc1ccc(cc1C)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258668 CC(=O)N1CCN(CCOc2ccc(cc2C)N2CC[C@H](Oc3ccc(cc3)C3CC3)C2=O)CC1 |r|
BDBM258669 CC(=O)N[C@@H]1CCN(CCOc2ccc(cc2C)N2CC[C@H](Oc3ccc(cc3)C3CC3)C2=O)C1 |r|
BDBM258670 Cc1cc(ccc1OCCN1CC[C@@H](O)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258758 COc1cc(ccc1OCCN1CC(O)(C1)C1CC1)N1CCC(Oc2ccc(cc2)C2CC2)C1=O
BDBM258671 Cc1cc(ccc1OCCN1CC[C@@H](F)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258672 Cc1cc(ccc1OCCN1CCC(F)(F)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258673 Cc1cc(ccc1OCCN1CCC[C@H]1CO)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258674 Cc1cc(ccc1OCCN1CC2(COC2)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258675 Cc1cc(ccc1OCCN1CC(O)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258676 Cc1cc(ccc1OCCN1CCOCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258677 Cc1cc(ccc1OCCN1CCNC(=O)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258678 CN(CCO)CCOc1ccc(cc1C)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258679 Cc1cc(ccc1OCCN1CCC[C@@H]1CO)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258680 Cc1cc(ccc1OCCN1CC[C@H](O)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258681 Cc1cc(ccc1OCCN1CC[C@H](F)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258682 COC[C@@H]1CCCN1CCOc1ccc(cc1C)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258683 Cc1cc(ccc1OCCN1CCC[C@H]1C(N)=O)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258684 Cc1cc(ccc1OCCNCCO)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258685 Cc1cc(ccc1OCCNC1(CO)CCCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258686 Cc1cc(ccc1OCCNCC#N)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258687 CNCCOc1ccc(cc1C)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258688 CN(C)CCOc1ccc(cc1C)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258689 Cc1cc(ccc1OCCNCC(F)(F)F)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258690 Cc1cc(ccc1OCCNCC1(C)COC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258691 Cc1cc(ccc1OCCN1CCC2(COC2)CC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258692 Cc1cc(ccc1OCCNCC1(CO)COC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258693 Clc1cc(ccc1OCCN1CCCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258694 Clc1cc(ccc1OCCN1CCCC1)N1CC[C@@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258695 O[C@H]1CCN(CCOc2ccc(cc2Cl)N2CC[C@H](Oc3ccc(cc3)C3CC3)C2=O)C1 |r|
BDBM258696 O[C@@H]1CCN(CCOc2ccc(cc2Cl)N2CC[C@H](Oc3ccc(cc3)C3CC3)C2=O)C1 |r|
BDBM258697 F[C@@H]1CCN(CCOc2ccc(cc2Cl)N2CC[C@H](Oc3ccc(cc3)C3CC3)C2=O)C1 |r|
BDBM258698 F[C@H]1CCN(CCOc2ccc(cc2Cl)N2CC[C@H](Oc3ccc(cc3)C3CC3)C2=O)C1 |r|
BDBM258699 OC[C@@H]1CCCN1CCOc1ccc(cc1Cl)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258700 CN(CCO)CCOc1ccc(cc1Cl)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258701 FC1(F)CCN(CCOc2ccc(cc2Cl)N2CC[C@H](Oc3ccc(cc3)C3CC3)C2=O)C1 |r|
BDBM258702 OC[C@H]1CCCN1CCOc1ccc(cc1Cl)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258703 Clc1cc(ccc1OCCN1CCOCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258704 Clc1cc(ccc1OCCN1CCNC(=O)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258705 NC(=O)[C@@H]1CCCN1CCOc1ccc(cc1Cl)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258605 COc1cc(ccc1OCCN1CC[C@@H](F)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258706 Clc1cc(ccc1OCCN1CC=CC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r,c:13|
BDBM258707 OC1CN(CCOc2ccc(cc2Cl)N2CC[C@H](Oc3ccc(cc3)C3CC3)C2=O)C1 |r|
BDBM258708 O[C@H]1CN(CCOc2ccc(cc2Cl)N2CC[C@H](Oc3ccc(cc3)C3CC3)C2=O)C[C@H]1O |r|
BDBM258709 COc1cc(ccc1OCCN1CCCC1)N1CC[C@H](Oc2ccc(cc2)-c2ccccc2)C1=O |r|
BDBM258710 COc1cc(ccc1OCCN1CCCC1)N1CC[C@@H](Oc2ccc(cc2)-c2ccccc2)C1=O |r|
BDBM258711 CCc1cc(ccc1OCCN1CCCC1)N1CC[C@H](Oc2ccc(cc2)-c2ccccc2)C1=O |r|
BDBM258712 CCc1cc(ccc1OCCN1CCCC1)N1CC[C@@H](Oc2ccc(cc2)-c2ccccc2)C1=O |r|
BDBM258848 COc1cc(ccc1OCCn1ccnc1)N1CCC(Oc2ccc(OC(F)(F)F)cc2)C1=O
BDBM258606 COc1cc(ccc1OCCN1CC[C@H](O)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258607 COc1cc(ccc1OCCN1CC[C@@H](O)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258608 COc1cc(ccc1OCCN1CCC(F)(F)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258609 COc1cc(ccc1OCCN1CCC[C@@H]1CO)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258610 COc1cc(ccc1OCCN1CCC[C@H]1CO)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258611 COc1cc(ccc1OCCN1CC(O)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258612 COc1cc(ccc1OCCN(C)CCO)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258713 Cc1cc(ccc1OCCN1CCCC1)N1CC[C@H](Oc2ccc(cc2)-c2ccccc2)C1=O |r|
BDBM258714 Cc1cc(ccc1OCCN1CCCC1)N1CC[C@@H](Oc2ccc(cc2)-c2ccccc2)C1=O |r|
BDBM258715 Clc1cc(ccc1OCCN1CCCC1)N1CC[C@H](Oc2ccc(cc2)-c2ccccc2)C1=O |r|
BDBM258716 Clc1cc(ccc1OCCN1CCCC1)N1CC[C@@H](Oc2ccc(cc2)-c2ccccc2)C1=O |r|
BDBM258717 COc1cc(ccc1OCCN(C)C(C)=O)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258718 COc1cc(ccc1OCCN(C)S(C)(=O)=O)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258719 COc1cc(ccc1OCCN(C)S(=O)(=O)c1sc(NC(C)=O)nc1C)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258603 COc1cc(ccc1OCCN1CCCC1)N1CC[C@@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258604 COc1cc(ccc1OCCN1CC[C@H](F)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258613 COc1cc(ccc1OCCN1CC=CC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r,c:14|
BDBM258614 COc1cc(ccc1OCCN1CCNC(=O)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258615 COc1cc(ccc1OCCN(C)C)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258616 CNCCOc1ccc(cc1OC)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258617 COc1cc(ccc1OCCNC1(C)COC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258618 COc1cc(ccc1OCCN1CCOCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258619 COc1cc(ccc1OCCN1CC[C@H](C1)N(C)C)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258720 COc1cc(ccc1OCCN(C)S(=O)(=O)c1ccccc1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258721 COc1cc(ccc1OCCN(C)S(=O)(=O)C(C)C)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258722 COc1cc(ccc1OCCN(C)S(=O)(=O)CC(F)(F)F)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258723 CCS(=O)(=O)N(C)CCOc1ccc(cc1OC)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258724 CCCS(=O)(=O)N(C)CCOc1ccc(cc1OC)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258725 COc1cc(ccc1OCCN(C)S(=O)(=O)c1c(C)noc1C)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258759 COc1cc(ccc1OCCN1CC(O)(C1)C(F)(F)F)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:24|
BDBM258774 CCc1cc(ccc1OCCN1CC[C@@H](O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:21|
BDBM258620 COc1cc(ccc1OCCN1CCC[C@H](O)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258621 COc1cc(ccc1OCCN1CCC(F)(F)CC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258622 COc1cc(ccc1OCCNC12CC3CC(CC(O)(C3)C1)C2)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r,TLB:11:12:15:20.18.17,22:12:20:15.16.17,THB:21:12:15:20.18.17,21:18:15:12.22.13,19:18:15:12.22.13,22:16:20:12.21.13|
BDBM258623 COc1cc(ccc1OCCN1CCN(CC1)c1cnccn1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258624 COc1cc(ccc1OCCNCCN1CCCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258625 COc1cc(ccc1OCCNC(C)(C)C)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258726 COc1cc(ccc1OCCN(C)S(=O)(=O)C1CC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258727 COc1cc(ccc1OCCN(C)S(=O)(=O)c1cnoc1C)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258728 COc1cc(ccc1OCCN(C)S(=O)(=O)CC(C)C)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258729 COCC(=O)N(C)CCOc1ccc(cc1OC)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258730 CCOC(=O)N(C)CCOc1ccc(cc1OC)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258731 COC(=O)N(C)CCOc1ccc(cc1OC)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258732 CCc1cc(ccc1OCCNS(C)(=O)=O)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258760 COc1cc(ccc1OCCN1CC(C1)C#N)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:21|
BDBM258761 COc1cc(ccc1OCCN1CC(C1)S(C)(=O)=O)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:23|
BDBM258762 COc1cc(ccc1OCCN1CC(C)(C1)OC)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:22|
BDBM258763 COc1cc(ccc1OCCN1CC(C1)NC(=O)OC(C)(C)C)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:27|
BDBM258764 CCc1cc(ccc1OCCN1CCCC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:20|
BDBM258765 CCc1cc(ccc1OCCN1CC(O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:20|
BDBM258775 CCc1cc(ccc1OCCN1CCOCC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:21|
BDBM258776 CCc1cc(ccc1OCCN1CCC[C@H](O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:22|
BDBM258777 CCc1cc(ccc1OCCN1CCCCC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:21|
BDBM258778 FC(F)Oc1cc(ccc1OCCN1CCCC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:22|
BDBM258779 OC1CN(CCOc2ccc(cc2OC(F)F)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:20|
BDBM258780 CS(=O)(=O)C1CN(CCOc2ccc(cc2OC(F)F)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:23|
BDBM258781 OC1(CN(CCOc2ccc(cc2OC(F)F)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1)C(F)(F)F |t:20|
BDBM258626 COc1cc(ccc1OCCNC1(CO)CCCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258627 COc1cc(ccc1OCCN[C@H]1CC[C@H](O)CC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r,wU:12.12,wD:22.24,15.16,(6.44,.82,;4.95,.43,;3.86,1.51,;2.33,1.15,;1.25,2.24,;1.64,3.73,;3.13,4.13,;4.22,3.04,;5.71,3.44,;6.8,2.35,;8.29,2.75,;9.37,1.66,;8.98,.17,;10.06,-.92,;9.67,-2.4,;8.18,-2.8,;7.78,-4.29,;7.09,-1.71,;7.49,-.23,;-.24,1.85,;-.72,.38,;-2.26,.38,;-2.73,1.85,;-4.22,2.24,;-5.31,1.15,;-6.8,1.55,;-7.89,.46,;-7.49,-1.02,;-6,-1.42,;-4.91,-.33,;-8.58,-2.11,;-10.06,-2.51,;-8.98,-3.6,;-1.49,2.75,;-1.49,4.29,)|
BDBM258628 COc1cc(ccc1OCCNCC(C)(C)N1CCOCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258629 COc1cc(ccc1OCCN1CCC(O)CC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258630 COc1cc(ccc1OCCN1CCN(CC1)c1ncccn1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258631 COc1cc(ccc1OCCN1CCC(C1)N1CCOCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258733 CCc1cc(ccc1OCCNC(C)=O)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258734 CCc1cc(ccc1OCCN(C)S(C)(=O)=O)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258735 COc1cc(ccc1N1CCOCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258736 COc1cc(ccc1N1CCOCC1)N1CC[C@@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258737 CCc1cc(ccc1N1CCCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258738 CCc1cc(ccc1N1CCCC1)N1CC[C@@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258739 COc1cc(ccc1O[C@H]1CCNC1)N1CC[C@@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258768 CCc1cc(ccc1OCCN1CC(C1)OC)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:21|
BDBM258766 CCc1cc(ccc1OCCN1CCC2(COC2)CC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:25|
BDBM258767 CCc1cc(ccc1OCCN1CC(O)(C1)C1CC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:24|
BDBM258782 FC(F)Oc1cc(ccc1OCCN1CC(C1)C#N)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:23|
BDBM258783 COC1CN(CCOc2ccc(cc2OC(F)F)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:21|
BDBM258784 CC1(O)CN(CCOc2ccc(cc2OC(F)F)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:21|
BDBM258785 OC1CN(CCOc2ccc(cc2Br)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:17|
BDBM258786 CC1(O)CN(CCOc2ccc(cc2Br)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:18|
BDBM258787 O=C1N(CC=C1Oc1ccc(cc1)C1CC1)c1ccc(OCCN2CCCC2)c(c1)C1CC1 |c:4|
BDBM258788 O=C1N(CC=C1Oc1ccc(cc1)C1CC1)c1ccc(OCCN2CCOCC2)c(c1)C1CC1 |c:4|
BDBM258632 CO[C@@H]1CCN(CCOc2ccc(cc2OC)N2CC[C@H](Oc3ccc(cc3)C3CC3)C2=O)C1 |r|
BDBM258633 CO[C@H]1CCN(CCOc2ccc(cc2OC)N2CC[C@H](Oc3ccc(cc3)C3CC3)C2=O)C1 |r|
BDBM258634 COc1cc(ccc1OCCN1CCN(C)CC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258635 COc1cc(ccc1OCCN1CC[C@@H](N)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258636 COc1cc(ccc1OCCN)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258637 COc1cc(ccc1OCCN1CCNCC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258638 COc1cc(ccc1OCCN1C[C@H](O)[C@H](O)C1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258740 COc1cc(ccc1O[C@H]1CCNC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258741 COc1cc(ccc1O[C@@H]1CCNC1)N1CC[C@@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258742 COc1cc(ccc1O[C@@H]1CCNC1)N1CC[C@H](Oc2ccc(cc2)C2CC2)C1=O |r|
BDBM258743 COc1cc(ccc1OCCN1CCCC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:20|
BDBM258744 COc1cc(ccc1OCCN1CC[C@H](O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:21|
BDBM258745 COc1cc(ccc1OCCN1CC[C@@H](O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:21|
BDBM258746 COc1cc(ccc1OCCN1CC[C@H](F)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:21|
BDBM258769 CCc1cc(ccc1OCCN1CC(C)(O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:21|
BDBM258770 CCc1cc(ccc1OCCN1CC(O)(C1)C(F)(F)F)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:24|
BDBM258771 CCc1cc(ccc1OCCN1CC(C1)NC(=O)OC(C)(C)C)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:27|
BDBM258772 CCc1cc(ccc1OCCN1CC(N)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:20|
BDBM258789 OC1CN(CCOc2ccc(cc2C2CC2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:20|
BDBM258790 O[C@@H]1CCN(CCOc2ccc(cc2C2CC2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |r,t:21|
BDBM258791 CC1(O)CN(CCOc2ccc(cc2C2CC2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:21|
BDBM258792 CC(C)(C)OC(=O)NC1CN(CCOc2ccc(cc2C2CC2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:27|
BDBM258793 COc1cc(ccc1OCCN1CC(O)C1)N1CC=C(Oc2ccc(cc2)-c2ccccc2)C1=O |t:20|
BDBM258794 COc1cc(ccc1OCCN1CCCC1)N1CC=C(Oc2ccc(cc2)-c2ccccc2)C1=O |t:20|
BDBM258795 COc1cc(ccc1OCCN1CCC[C@H]1CO)N1CC=C(Oc2ccc(cc2)-c2ccccc2)C1=O |r,t:22|
BDBM258843 COc1cc(ccc1CN1CC(O)(C1)C1CC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:22|
BDBM258844 COc1cc(ccc1CN1CC[C@@H](O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:19|
BDBM258845 COc1cc(ccc1CN1CC[C@H](O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:19|
BDBM258846 COc1cc(ccc1CN1CC[C@@H](F)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:19|
BDBM258847 COc1cc(ccc1O[C@@H]1CCNC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:18|
BDBM258804 COC1CN(CCO[C@H]2C[C@H](C2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |r,wU:10.12,8.7,t:15,(11.74,-2.43,;10.26,-2.83,;9.17,-1.74,;7.61,-1.72,;7.59,-.18,;6.51,.9,;5.02,.51,;3.93,1.59,;2.44,1.2,;1.67,-.14,;.34,.63,;1.11,1.97,;-1.15,.23,;-2.05,-1.01,;-3.52,-.54,;-3.52,1,;-4.85,1.77,;-6.19,1,;-6.19,-.54,;-7.52,-1.31,;-8.85,-.54,;-8.85,1,;-7.52,1.77,;-10.19,-1.31,;-11.73,-1.31,;-10.96,-2.64,;-2.05,1.48,;-1.28,2.81,;9.15,-.18,)|
BDBM258805 O[C@H]1CCN(CCO[C@H]2C[C@H](C2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |r,wU:10.12,8.7,1.0,t:15,(11.34,-2.51,;10,-1.74,;8.76,-2.64,;7.51,-1.74,;7.99,-.27,;6.9,.82,;5.41,.42,;4.32,1.51,;2.83,1.11,;2.06,-.22,;.73,.55,;1.5,1.88,;-.76,.15,;-1.66,-1.1,;-3.13,-.62,;-3.13,.92,;-4.46,1.69,;-5.79,.92,;-5.79,-.62,;-7.13,-1.39,;-8.46,-.62,;-8.46,.92,;-7.13,1.69,;-9.8,-1.39,;-11.34,-1.39,;-10.57,-2.73,;-1.66,1.39,;-.89,2.73,;9.53,-.27,)|
BDBM258806 CC1(O)CN(CCO[C@H]2C[C@H](C2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |r,wD:10.12,8.7,t:15,(.72,10.46,;-.71,9.87,;-.59,11.41,;-2.23,9.63,;-1.99,8.11,;-2.89,6.86,;-2.27,5.46,;-3.17,4.21,;-2.54,2.8,;-3.1,1.37,;-1.66,.81,;-1.11,2.25,;-1.03,-.59,;-1.8,-1.93,;-.77,-3.07,;.64,-2.44,;1.97,-3.21,;1.97,-4.75,;.64,-5.52,;.64,-7.06,;1.97,-7.83,;3.3,-7.06,;3.3,-5.52,;1.97,-9.37,;2.74,-10.71,;1.2,-10.71,;.47,-.91,;1.62,.12,;-.47,8.35,)|
BDBM258807 O[C@@H]1CCN(CCO[C@H]2C[C@H](C2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |r,wU:10.12,8.7,wD:1.0,t:15,(11.34,-.97,;10,-1.74,;8.76,-2.64,;7.51,-1.74,;7.99,-.27,;6.9,.82,;5.41,.42,;4.32,1.51,;2.83,1.11,;2.06,-.22,;.73,.55,;1.5,1.88,;-.76,.15,;-1.66,-1.1,;-3.13,-.62,;-3.13,.92,;-4.46,1.69,;-5.79,.92,;-5.79,-.62,;-7.13,-1.39,;-8.46,-.62,;-8.46,.92,;-7.13,1.69,;-9.8,-1.39,;-11.34,-1.39,;-10.57,-2.73,;-1.66,1.39,;-.89,2.73,;9.53,-.27,)|
BDBM258808 O=C1N(CC=C1Oc1ccc(cc1)C1CC1)[C@H]1CC[C@@H](CC1)OCCN1CCOCC1 |r,wU:16.18,wD:19.25,c:4,(-.94,2.73,;-1.71,1.39,;-.81,.15,;-1.71,-1.1,;-3.18,-.62,;-3.18,.92,;-4.51,1.69,;-5.84,.92,;-5.84,-.62,;-7.18,-1.39,;-8.51,-.62,;-8.51,.92,;-7.18,1.69,;-9.85,-1.39,;-11.39,-1.39,;-10.62,-2.73,;.68,.55,;1.08,2.03,;2.57,2.43,;3.66,1.34,;3.26,-.14,;1.77,-.54,;5.14,1.74,;6.23,.65,;7.72,1.05,;8.81,-.04,;8.41,-1.53,;9.5,-2.61,;10.99,-2.22,;11.39,-.73,;10.3,.36,)|
BDBM258809 O[C@H]1CCN(CCO[C@H]2CC[C@@H](CC2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |r,wU:11.14,1.0,wD:8.7,t:17,(11.77,-.73,;10.44,-1.5,;9.19,-2.41,;7.95,-1.5,;8.42,-.04,;7.33,1.05,;5.85,.65,;4.76,1.74,;3.27,1.34,;2.18,2.43,;.69,2.03,;.29,.55,;1.38,-.54,;2.87,-.14,;-1.19,.15,;-2.1,-1.1,;-3.56,-.62,;-3.56,.92,;-4.9,1.69,;-6.23,.92,;-6.23,-.62,;-7.56,-1.39,;-8.9,-.62,;-8.9,.92,;-7.56,1.69,;-10.23,-1.39,;-11.77,-1.39,;-11,-2.73,;-2.1,1.39,;-1.33,2.73,;9.96,-.04,)|
BDBM258810 O[C@@H]1CCN(CCO[C@H]2CC[C@@H](CC2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |r,wU:11.14,wD:8.7,1.0,t:17,(11.77,-.73,;10.44,-1.5,;9.19,-2.41,;7.95,-1.5,;8.42,-.04,;7.33,1.05,;5.85,.65,;4.76,1.74,;3.27,1.34,;2.18,2.43,;.69,2.03,;.29,.55,;1.38,-.54,;2.87,-.14,;-1.19,.15,;-2.1,-1.1,;-3.56,-.62,;-3.56,.92,;-4.9,1.69,;-6.23,.92,;-6.23,-.62,;-7.56,-1.39,;-8.9,-.62,;-8.9,.92,;-7.56,1.69,;-10.23,-1.39,;-11.77,-1.39,;-11,-2.73,;-2.1,1.39,;-1.33,2.73,;9.96,-.04,)|
BDBM258811 OC1CN(CCO[C@H]2CC[C@@H](CC2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |r,wU:10.13,wD:7.6,t:16,(11.42,-2.67,;10.33,-1.58,;8.79,-1.58,;8.77,-.04,;7.69,1.05,;6.2,.65,;5.11,1.74,;3.62,1.34,;2.53,2.43,;1.04,2.03,;.65,.55,;1.74,-.54,;3.22,-.14,;-.84,.15,;-1.75,-1.1,;-3.21,-.62,;-3.21,.92,;-4.54,1.69,;-5.88,.92,;-5.88,-.62,;-7.21,-1.39,;-8.55,-.62,;-8.55,.92,;-7.21,1.69,;-9.88,-1.39,;-11.42,-1.39,;-10.65,-2.73,;-1.75,1.39,;-.98,2.73,;10.33,-.04,)|
BDBM258812 CC1(O)CN(CCO[C@H]2CC[C@@H](CC2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |r,wU:8.7,wD:11.14,t:17,(.77,10.92,;-.65,10.33,;-.53,11.87,;-2.17,10.09,;-1.93,8.57,;-2.83,7.32,;-2.21,5.92,;-3.11,4.67,;-2.49,3.26,;-.96,3.1,;-.33,1.7,;-1.23,.45,;-2.77,.61,;-3.39,2.02,;-.61,-.96,;-1.38,-2.29,;-.35,-3.43,;1.06,-2.81,;2.39,-3.58,;2.39,-5.12,;1.06,-5.89,;1.06,-7.43,;2.39,-8.2,;3.73,-7.43,;3.73,-5.89,;2.39,-9.74,;3.16,-11.07,;1.62,-11.07,;.9,-1.28,;2.04,-.25,;-.41,8.81,)|
BDBM258813 OC[C@@H]1CCCN1CCO[C@H]1CC[C@@H](CC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,wU:13.17,wD:10.10,2.1,t:20,(10.63,2.63,;9.86,1.3,;10.63,-.04,;11.1,-1.5,;9.86,-2.41,;8.61,-1.5,;9.09,-.04,;8,1.05,;6.51,.65,;5.42,1.74,;3.94,1.34,;2.85,2.43,;1.36,2.03,;.96,.55,;2.05,-.54,;3.54,-.14,;-.53,.15,;-1.43,-1.1,;-2.9,-.62,;-2.9,.92,;-4.23,1.69,;-5.56,.92,;-5.56,-.62,;-6.9,-1.39,;-8.23,-.62,;-8.23,.92,;-6.9,1.69,;-9.56,-1.39,;-11.1,-1.39,;-10.33,-2.73,;-1.43,1.39,;-.66,2.73,)|
BDBM258814 O=C1N(CC=C1Oc1ccc(cc1)C1CC1)[C@H]1CC[C@@H](CC1)OCCN1CCCC1 |r,wU:16.18,wD:19.25,c:4,(-.66,2.73,;-1.43,1.39,;-.53,.15,;-1.43,-1.1,;-2.9,-.62,;-2.9,.92,;-4.23,1.69,;-5.56,.92,;-5.56,-.62,;-6.9,-1.39,;-8.23,-.62,;-8.23,.92,;-6.9,1.69,;-9.56,-1.39,;-11.1,-1.39,;-10.33,-2.73,;.96,.55,;1.36,2.03,;2.85,2.43,;3.94,1.34,;3.54,-.14,;2.05,-.54,;5.42,1.74,;6.51,.65,;8,1.05,;9.09,-.04,;8.61,-1.5,;9.86,-2.41,;11.1,-1.5,;10.63,-.04,)|
BDBM258815 O=C1N(CC=C1Oc1ccc(cc1)C1CC1)[C@H]1CC[C@@H](CC1)OCCN1CCC1 |r,wU:16.18,wD:19.25,c:4,(-.43,2.73,;-1.2,1.39,;-.3,.15,;-1.2,-1.1,;-2.67,-.62,;-2.67,.92,;-4,1.69,;-5.33,.92,;-5.33,-.62,;-6.67,-1.39,;-8,-.62,;-8,.92,;-6.67,1.69,;-9.34,-1.39,;-10.88,-1.39,;-10.11,-2.73,;1.19,.55,;1.59,2.03,;3.08,2.43,;4.17,1.34,;3.77,-.14,;2.28,-.54,;5.65,1.74,;6.74,.65,;8.23,1.05,;9.32,-.04,;9.34,-1.58,;10.88,-1.58,;10.88,-.04,)|
BDBM258816 FC1(F)CCN(CCO[C@H]2CC[C@@H](CC2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)CC1 |r,wU:12.15,wD:9.8,t:18,(10.44,-3.24,;10.44,-1.7,;11.93,-1.3,;8.95,-2.1,;7.87,-1.01,;8.26,.48,;7.18,1.57,;5.69,1.17,;4.6,2.26,;3.11,1.86,;2.02,2.95,;.53,2.55,;.14,1.06,;1.23,-.03,;2.71,.37,;-1.35,.66,;-2.26,-.58,;-3.72,-.11,;-3.72,1.43,;-5.05,2.2,;-6.39,1.43,;-6.39,-.11,;-7.72,-.88,;-9.06,-.11,;-9.06,1.43,;-7.72,2.2,;-10.39,-.88,;-11.93,-.88,;-11.16,-2.21,;-2.26,1.91,;-1.49,3.24,;9.75,.88,;10.84,-.21,)|
BDBM258817 O=C1N(CC=C1Oc1ccc(cc1)C1CC1)c1ccc2n(CCN3CCCC3)ncc2c1 |c:4|
BDBM258818 CC1(O)CN(CCn2ncc3cc(ccc23)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:20|
BDBM258819 O[C@@H]1CCN(CCn2ncc3cc(ccc23)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |r,t:20|
BDBM258820 COC1CN(CCn2ncc3cc(ccc23)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:20|
BDBM258821 OC1CN(CCn2ncc3cc(ccc23)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:19|
BDBM258822 O[C@H]1CCCN(CCn2ncc3cc(ccc23)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |r,t:21|
BDBM258823 FC1(F)CCN(CCn2ncc3cc(ccc23)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)CC1 |t:21|
BDBM258824 O=C1N(CC=C1Oc1ccc(cc1)C1CC1)c1ccc2n(CCN3CCC3)ncc2c1 |c:4|
BDBM258825 OC[C@H]1CCCN1CCn1ncc2cc(ccc12)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:23|
BDBM258826 OC[C@@H]1CCCN1CCn1ncc2cc(ccc12)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:23|
BDBM258827 F[C@@H]1CCN(CCn2ncc3cc(ccc23)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |r,t:20|
BDBM258828 F[C@H]1CCN(CCn2ncc3cc(ccc23)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |r,t:20|
BDBM258829 O[C@H]1CCN(CCn2ncc3cc(ccc23)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |r,t:20|
BDBM258830 FC1(F)CCN(CCn2ncc3cc(ccc23)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:21|
BDBM258831 O=C1N(CC=C1Oc1ccc(cc1)C1CC1)c1ccc2n(CCN3CC=CC3)ncc2c1 |c:4,28|
BDBM258832 O=C1N(CC=C1Oc1ccc(cc1)C1CC1)c1ccc2n(CCN3CCNC(=O)C3)ncc2c1 |c:4|
BDBM258833 OC1CN(CCn2cc(cn2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:14|
BDBM258834 CS(=O)(=O)C1CN(CCn2cc(cn2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:17|
BDBM258835 COC1CN(CCn2cc(cn2)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:15|
BDBM258836 COc1cc(ccc1CN1CCCC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:18|
BDBM258837 COc1cc(ccc1CN1CCOCC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:19|
BDBM258838 COc1cc(ccc1CN1CC(C1)S(C)(=O)=O)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:21|
BDBM258839 COc1cc(ccc1CN1CC(O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:18|
BDBM258840 COc1cc(ccc1CN1CC(O)(C1)C(F)(F)F)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:22|
BDBM258841 COc1cc(ccc1CN1CCNC(=O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:20|
BDBM258842 COc1cc(ccc1CN1CC(C)(O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:19|